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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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/168_Riboswitch-a0a2398b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/168_Riboswitch-a0a2398b/inputs/seq.fa: 1 curr_seq: _AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUUCAUAUGAAAAGGUAAAGAUUGAGACAAGUAGAAUAUCCUUACGUUCCAGAGAGCUGAUGGCCGGUGAAAAUCAGCACAGACGGAUAUAUCGAAUACACUCAUGAACCGCUUUUGCAAACAAAGCCGGCCAGGCUUUCAGUAGUGAAAGAACGGACCUGAUCCGUUAUCAGGCAAAGUGAUAAGACGAAUGUUUGCAUUCUCUUAUUAGUAGGGUGGUACCGCGAUAAUCAAUCGUCCCUUCGUGUAAACGAAGGGGCGUUUUUUAUUUU 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 274 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: 1375 n_atoms_counter: 1375 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 274.000000 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: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 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: 1 Temperature: 1.350000 Total energy: -1085.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.438015 (E_RNA) where: Base-Base interactions energy: -19.129 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.000 local terms energy: -1066.308900 where: bonds (distance) C4'-P energy: -266.212 bonds (distance) P-C4' energy: -246.029 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -230.126 tors. eta vs tors. theta energy: -122.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1283.747225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.747225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.747225 (E_RNA) where: Base-Base interactions energy: -509.935 where: short stacking energy: -507.648 Base-Backbone interact. energy: -0.176 local terms energy: -773.636475 where: bonds (distance) C4'-P energy: -163.769 bonds (distance) P-C4' energy: -185.842 flat angles C4'-P-C4' energy: -179.823 flat angles P-C4'-P energy: -116.583 tors. eta vs tors. theta energy: -127.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1216.071345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.071345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.071345 (E_RNA) where: Base-Base interactions energy: -458.170 where: short stacking energy: -458.170 Base-Backbone interact. energy: -0.093 local terms energy: -757.808197 where: bonds (distance) C4'-P energy: -170.016 bonds (distance) P-C4' energy: -175.380 flat angles C4'-P-C4' energy: -182.036 flat angles P-C4'-P energy: -104.449 tors. eta vs tors. theta energy: -125.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1103.605237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.605237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.605237 (E_RNA) where: Base-Base interactions energy: -313.569 where: short stacking energy: -313.569 Base-Backbone interact. energy: -0.001 local terms energy: -790.034874 where: bonds (distance) C4'-P energy: -162.997 bonds (distance) P-C4' energy: -157.026 flat angles C4'-P-C4' energy: -183.006 flat angles P-C4'-P energy: -162.641 tors. eta vs tors. theta energy: -124.365 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: 2 Temperature: 1.050000 Total energy: -1101.341053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.341053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.341053 (E_RNA) where: Base-Base interactions energy: -115.176 where: short stacking energy: -115.176 Base-Backbone interact. energy: -0.000 local terms energy: -986.165046 where: bonds (distance) C4'-P energy: -230.531 bonds (distance) P-C4' energy: -195.883 flat angles C4'-P-C4' energy: -205.562 flat angles P-C4'-P energy: -216.661 tors. eta vs tors. theta energy: -137.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1091.903981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.903981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.903981 (E_RNA) where: Base-Base interactions energy: -119.451 where: short stacking energy: -119.451 Base-Backbone interact. energy: -0.000 local terms energy: -972.452968 where: bonds (distance) C4'-P energy: -219.441 bonds (distance) P-C4' energy: -203.274 flat angles C4'-P-C4' energy: -202.073 flat angles P-C4'-P energy: -214.510 tors. eta vs tors. theta energy: -133.154 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: 2 Temperature: 1.150000 Total energy: -1108.864889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.864889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.864889 (E_RNA) where: Base-Base interactions energy: -87.961 where: short stacking energy: -87.961 Base-Backbone interact. energy: -0.000 local terms energy: -1020.903322 where: bonds (distance) C4'-P energy: -236.239 bonds (distance) P-C4' energy: -228.814 flat angles C4'-P-C4' energy: -204.887 flat angles P-C4'-P energy: -221.771 tors. eta vs tors. theta energy: -129.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1110.875262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.875262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.875262 (E_RNA) where: Base-Base interactions energy: -96.088 where: short stacking energy: -96.088 Base-Backbone interact. energy: -0.000 local terms energy: -1014.786855 where: bonds (distance) C4'-P energy: -237.549 bonds (distance) P-C4' energy: -223.366 flat angles C4'-P-C4' energy: -201.211 flat angles P-C4'-P energy: -220.143 tors. eta vs tors. theta energy: -132.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1105.120699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.120699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.120699 (E_RNA) where: Base-Base interactions energy: -168.076 where: short stacking energy: -168.076 Base-Backbone interact. energy: -0.000 local terms energy: -937.044169 where: bonds (distance) C4'-P energy: -203.343 bonds (distance) P-C4' energy: -191.488 flat angles C4'-P-C4' energy: -197.567 flat angles P-C4'-P energy: -204.067 tors. eta vs tors. theta energy: -140.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1093.939334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.939334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.939334 (E_RNA) where: Base-Base interactions energy: -75.144 where: short stacking energy: -75.144 Base-Backbone interact. energy: -0.000 local terms energy: -1018.795369 where: bonds (distance) C4'-P energy: -237.005 bonds (distance) P-C4' energy: -228.061 flat angles C4'-P-C4' energy: -202.366 flat angles P-C4'-P energy: -220.601 tors. eta vs tors. theta energy: -130.763 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1094.856603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.856603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.856603 (E_RNA) where: Base-Base interactions energy: -110.505 where: short stacking energy: -110.505 Base-Backbone interact. energy: -0.000 local terms energy: -984.351426 where: bonds (distance) C4'-P energy: -229.984 bonds (distance) P-C4' energy: -202.014 flat angles C4'-P-C4' energy: -203.211 flat angles P-C4'-P energy: -216.310 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1310.534980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.534980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.534980 (E_RNA) where: Base-Base interactions energy: -561.188 where: short stacking energy: -547.778 Base-Backbone interact. energy: -0.325 local terms energy: -749.022557 where: bonds (distance) C4'-P energy: -172.814 bonds (distance) P-C4' energy: -175.457 flat angles C4'-P-C4' energy: -174.167 flat angles P-C4'-P energy: -102.947 tors. eta vs tors. theta energy: -123.637 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1233.066201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.066201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.066201 (E_RNA) where: Base-Base interactions energy: -505.538 where: short stacking energy: -497.003 Base-Backbone interact. energy: -1.795 local terms energy: -725.733816 where: bonds (distance) C4'-P energy: -160.710 bonds (distance) P-C4' energy: -179.047 flat angles C4'-P-C4' energy: -163.579 flat angles P-C4'-P energy: -97.076 tors. eta vs tors. theta energy: -125.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1132.699120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.699120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.699120 (E_RNA) where: Base-Base interactions energy: -444.425 where: short stacking energy: -430.068 Base-Backbone interact. energy: -0.682 local terms energy: -687.592330 where: bonds (distance) C4'-P energy: -164.887 bonds (distance) P-C4' energy: -180.984 flat angles C4'-P-C4' energy: -167.207 flat angles P-C4'-P energy: -84.658 tors. eta vs tors. theta energy: -89.856 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: 3 Temperature: 1.050000 Total energy: -1077.224467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.224467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.224467 (E_RNA) where: Base-Base interactions energy: -428.462 where: short stacking energy: -412.837 Base-Backbone interact. energy: -0.144 local terms energy: -648.618969 where: bonds (distance) C4'-P energy: -158.947 bonds (distance) P-C4' energy: -174.629 flat angles C4'-P-C4' energy: -137.364 flat angles P-C4'-P energy: -88.698 tors. eta vs tors. theta energy: -88.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -975.952980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.952980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.952980 (E_RNA) where: Base-Base interactions energy: -383.070 where: short stacking energy: -373.991 Base-Backbone interact. energy: 1.046 local terms energy: -593.929499 where: bonds (distance) C4'-P energy: -136.711 bonds (distance) P-C4' energy: -162.610 flat angles C4'-P-C4' energy: -154.447 flat angles P-C4'-P energy: -89.103 tors. eta vs tors. theta energy: -51.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -919.484036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.484036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.484036 (E_RNA) where: Base-Base interactions energy: -325.376 where: short stacking energy: -311.338 Base-Backbone interact. energy: 2.134 local terms energy: -596.242563 where: bonds (distance) C4'-P energy: -157.466 bonds (distance) P-C4' energy: -168.766 flat angles C4'-P-C4' energy: -136.022 flat angles P-C4'-P energy: -83.012 tors. eta vs tors. theta energy: -50.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -818.841804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.841804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.841804 (E_RNA) where: Base-Base interactions energy: -296.254 where: short stacking energy: -282.967 Base-Backbone interact. energy: -2.340 local terms energy: -520.247701 where: bonds (distance) C4'-P energy: -129.267 bonds (distance) P-C4' energy: -140.950 flat angles C4'-P-C4' energy: -134.914 flat angles P-C4'-P energy: -87.752 tors. eta vs tors. theta energy: -27.364 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -762.105264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.105264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.105264 (E_RNA) where: Base-Base interactions energy: -261.514 where: short stacking energy: -245.657 Base-Backbone interact. energy: -0.346 local terms energy: -500.245337 where: bonds (distance) C4'-P energy: -135.844 bonds (distance) P-C4' energy: -132.055 flat angles C4'-P-C4' energy: -119.989 flat angles P-C4'-P energy: -84.136 tors. eta vs tors. theta energy: -28.221 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: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -696.073315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.073315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.073315 (E_RNA) where: Base-Base interactions energy: -237.031 where: short stacking energy: -212.514 Base-Backbone interact. energy: -1.205 local terms energy: -457.836362 where: bonds (distance) C4'-P energy: -147.364 bonds (distance) P-C4' energy: -124.510 flat angles C4'-P-C4' energy: -110.120 flat angles P-C4'-P energy: -67.386 tors. eta vs tors. theta energy: -8.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -628.498707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.498707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.498707 (E_RNA) where: Base-Base interactions energy: -207.646 where: short stacking energy: -175.139 Base-Backbone interact. energy: 2.081 local terms energy: -422.933661 where: bonds (distance) C4'-P energy: -134.424 bonds (distance) P-C4' energy: -165.362 flat angles C4'-P-C4' energy: -103.765 flat angles P-C4'-P energy: -50.514 tors. eta vs tors. theta energy: 31.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1337.657732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.657732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.657732 (E_RNA) where: Base-Base interactions energy: -573.451 where: short stacking energy: -551.713 Base-Backbone interact. energy: 0.331 local terms energy: -764.537491 where: bonds (distance) C4'-P energy: -174.997 bonds (distance) P-C4' energy: -176.302 flat angles C4'-P-C4' energy: -175.417 flat angles P-C4'-P energy: -102.992 tors. eta vs tors. theta energy: -134.830 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1234.464998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.464998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.464998 (E_RNA) where: Base-Base interactions energy: -528.753 where: short stacking energy: -518.380 Base-Backbone interact. energy: 3.055 local terms energy: -708.766643 where: bonds (distance) C4'-P energy: -166.406 bonds (distance) P-C4' energy: -161.934 flat angles C4'-P-C4' energy: -149.722 flat angles P-C4'-P energy: -105.082 tors. eta vs tors. theta energy: -125.623 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1188.374481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.374481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.374481 (E_RNA) where: Base-Base interactions energy: -487.627 where: short stacking energy: -455.580 Base-Backbone interact. energy: -0.277 local terms energy: -700.471279 where: bonds (distance) C4'-P energy: -165.894 bonds (distance) P-C4' energy: -158.026 flat angles C4'-P-C4' energy: -168.808 flat angles P-C4'-P energy: -92.407 tors. eta vs tors. theta energy: -115.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1085.919832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.919832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.919832 (E_RNA) where: Base-Base interactions energy: -446.372 where: short stacking energy: -427.410 Base-Backbone interact. energy: 0.032 local terms energy: -639.579379 where: bonds (distance) C4'-P energy: -158.147 bonds (distance) P-C4' energy: -154.064 flat angles C4'-P-C4' energy: -138.605 flat angles P-C4'-P energy: -104.148 tors. eta vs tors. theta energy: -84.616 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: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -988.742199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.742199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.742199 (E_RNA) where: Base-Base interactions energy: -419.175 where: short stacking energy: -337.697 Base-Backbone interact. energy: -2.475 local terms energy: -567.091896 where: bonds (distance) C4'-P energy: -137.763 bonds (distance) P-C4' energy: -158.558 flat angles C4'-P-C4' energy: -132.057 flat angles P-C4'-P energy: -104.347 tors. eta vs tors. theta energy: -34.368 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: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -879.269461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.269461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.269461 (E_RNA) where: Base-Base interactions energy: -341.120 where: short stacking energy: -316.226 Base-Backbone interact. energy: -0.384 local terms energy: -537.765328 where: bonds (distance) C4'-P energy: -155.782 bonds (distance) P-C4' energy: -146.860 flat angles C4'-P-C4' energy: -145.968 flat angles P-C4'-P energy: -57.133 tors. eta vs tors. theta energy: -32.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -801.229223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.229223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.229223 (E_RNA) where: Base-Base interactions energy: -292.084 where: short stacking energy: -266.179 Base-Backbone interact. energy: -0.001 local terms energy: -509.144419 where: bonds (distance) C4'-P energy: -140.556 bonds (distance) P-C4' energy: -144.811 flat angles C4'-P-C4' energy: -134.380 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: -7.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -740.933882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.933882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.933882 (E_RNA) where: Base-Base interactions energy: -261.019 where: short stacking energy: -250.234 Base-Backbone interact. energy: 1.714 local terms energy: -481.628264 where: bonds (distance) C4'-P energy: -154.166 bonds (distance) P-C4' energy: -148.435 flat angles C4'-P-C4' energy: -110.519 flat angles P-C4'-P energy: -66.557 tors. eta vs tors. theta energy: -1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -696.100958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.100958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.100958 (E_RNA) where: Base-Base interactions energy: -260.716 where: short stacking energy: -227.967 Base-Backbone interact. energy: 2.995 local terms energy: -438.380099 where: bonds (distance) C4'-P energy: -134.088 bonds (distance) P-C4' energy: -145.658 flat angles C4'-P-C4' energy: -101.158 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: 13.785 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -645.195586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.195586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.195586 (E_RNA) where: Base-Base interactions energy: -224.696 where: short stacking energy: -176.202 Base-Backbone interact. energy: 0.109 local terms energy: -420.608704 where: bonds (distance) C4'-P energy: -132.177 bonds (distance) P-C4' energy: -139.784 flat angles C4'-P-C4' energy: -117.468 flat angles P-C4'-P energy: -62.700 tors. eta vs tors. theta energy: 31.520 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: 5 Temperature: 0.900000 Total energy: -1410.721737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.721737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.721737 (E_RNA) where: Base-Base interactions energy: -626.981 where: short stacking energy: -570.103 Base-Backbone interact. energy: -1.125 local terms energy: -782.615990 where: bonds (distance) C4'-P energy: -153.797 bonds (distance) P-C4' energy: -188.743 flat angles C4'-P-C4' energy: -187.157 flat angles P-C4'-P energy: -122.801 tors. eta vs tors. theta energy: -130.119 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: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1285.087119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.087119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.087119 (E_RNA) where: Base-Base interactions energy: -562.669 where: short stacking energy: -511.840 Base-Backbone interact. energy: -0.249 local terms energy: -722.169392 where: bonds (distance) C4'-P energy: -148.450 bonds (distance) P-C4' energy: -174.249 flat angles C4'-P-C4' energy: -151.403 flat angles P-C4'-P energy: -105.065 tors. eta vs tors. theta energy: -143.003 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: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1146.003540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.003540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.003540 (E_RNA) where: Base-Base interactions energy: -480.929 where: short stacking energy: -435.263 Base-Backbone interact. energy: -1.737 local terms energy: -663.337896 where: bonds (distance) C4'-P energy: -152.151 bonds (distance) P-C4' energy: -156.373 flat angles C4'-P-C4' energy: -164.428 flat angles P-C4'-P energy: -96.947 tors. eta vs tors. theta energy: -93.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1080.418049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.418049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.418049 (E_RNA) where: Base-Base interactions energy: -460.514 where: short stacking energy: -415.543 Base-Backbone interact. energy: -1.291 local terms energy: -618.613486 where: bonds (distance) C4'-P energy: -150.137 bonds (distance) P-C4' energy: -142.650 flat angles C4'-P-C4' energy: -162.857 flat angles P-C4'-P energy: -95.676 tors. eta vs tors. theta energy: -67.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1086.125701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.125701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.125701 (E_RNA) where: Base-Base interactions energy: -468.330 where: short stacking energy: -340.502 Base-Backbone interact. energy: -2.394 local terms energy: -615.402045 where: bonds (distance) C4'-P energy: -162.435 bonds (distance) P-C4' energy: -165.778 flat angles C4'-P-C4' energy: -130.741 flat angles P-C4'-P energy: -104.444 tors. eta vs tors. theta energy: -52.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -898.520330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.520330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.520330 (E_RNA) where: Base-Base interactions energy: -346.744 where: short stacking energy: -315.980 Base-Backbone interact. energy: 2.387 local terms energy: -554.163367 where: bonds (distance) C4'-P energy: -155.869 bonds (distance) P-C4' energy: -163.864 flat angles C4'-P-C4' energy: -111.895 flat angles P-C4'-P energy: -86.566 tors. eta vs tors. theta energy: -35.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -818.736935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.736935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.736935 (E_RNA) where: Base-Base interactions energy: -289.575 where: short stacking energy: -263.902 Base-Backbone interact. energy: 2.035 local terms energy: -531.197180 where: bonds (distance) C4'-P energy: -143.188 bonds (distance) P-C4' energy: -156.152 flat angles C4'-P-C4' energy: -135.329 flat angles P-C4'-P energy: -90.290 tors. eta vs tors. theta energy: -6.239 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: 5 Temperature: 1.250000 Total energy: -718.130954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.130954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.130954 (E_RNA) where: Base-Base interactions energy: -255.895 where: short stacking energy: -224.741 Base-Backbone interact. energy: -3.922 local terms energy: -458.314183 where: bonds (distance) C4'-P energy: -143.092 bonds (distance) P-C4' energy: -126.141 flat angles C4'-P-C4' energy: -135.224 flat angles P-C4'-P energy: -75.326 tors. eta vs tors. theta energy: 21.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -700.064825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.064825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.064825 (E_RNA) where: Base-Base interactions energy: -218.378 where: short stacking energy: -194.820 Base-Backbone interact. energy: 0.845 local terms energy: -482.532050 where: bonds (distance) C4'-P energy: -135.550 bonds (distance) P-C4' energy: -159.299 flat angles C4'-P-C4' energy: -123.626 flat angles P-C4'-P energy: -78.210 tors. eta vs tors. theta energy: 14.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -623.606160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.606160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.606160 (E_RNA) where: Base-Base interactions energy: -169.999 where: short stacking energy: -127.597 Base-Backbone interact. energy: 0.533 local terms energy: -454.139635 where: bonds (distance) C4'-P energy: -151.196 bonds (distance) P-C4' energy: -168.997 flat angles C4'-P-C4' energy: -131.108 flat angles P-C4'-P energy: -61.232 tors. eta vs tors. theta energy: 58.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1433.592414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.592414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.592414 (E_RNA) where: Base-Base interactions energy: -644.660 where: short stacking energy: -593.003 Base-Backbone interact. energy: -1.384 local terms energy: -787.548273 where: bonds (distance) C4'-P energy: -174.918 bonds (distance) P-C4' energy: -184.492 flat angles C4'-P-C4' energy: -168.402 flat angles P-C4'-P energy: -103.736 tors. eta vs tors. theta energy: -156.000 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: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1339.654295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.654295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.654295 (E_RNA) where: Base-Base interactions energy: -625.687 where: short stacking energy: -477.166 Base-Backbone interact. energy: -1.087 local terms energy: -712.879824 where: bonds (distance) C4'-P energy: -164.381 bonds (distance) P-C4' energy: -159.803 flat angles C4'-P-C4' energy: -162.384 flat angles P-C4'-P energy: -97.542 tors. eta vs tors. theta energy: -128.771 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: 6 Temperature: 1.000000 Total energy: -1170.474041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.474041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.474041 (E_RNA) where: Base-Base interactions energy: -486.569 where: short stacking energy: -430.486 Base-Backbone interact. energy: -1.508 local terms energy: -682.397033 where: bonds (distance) C4'-P energy: -142.357 bonds (distance) P-C4' energy: -164.384 flat angles C4'-P-C4' energy: -173.318 flat angles P-C4'-P energy: -107.718 tors. eta vs tors. theta energy: -94.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1077.545196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.545196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.545196 (E_RNA) where: Base-Base interactions energy: -440.499 where: short stacking energy: -387.528 Base-Backbone interact. energy: 0.634 local terms energy: -637.680206 where: bonds (distance) C4'-P energy: -150.257 bonds (distance) P-C4' energy: -160.860 flat angles C4'-P-C4' energy: -147.833 flat angles P-C4'-P energy: -104.272 tors. eta vs tors. theta energy: -74.458 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: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1078.155757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.155757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.155757 (E_RNA) where: Base-Base interactions energy: -489.579 where: short stacking energy: -360.030 Base-Backbone interact. energy: 2.261 local terms energy: -590.837608 where: bonds (distance) C4'-P energy: -159.485 bonds (distance) P-C4' energy: -140.699 flat angles C4'-P-C4' energy: -155.111 flat angles P-C4'-P energy: -84.657 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: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -890.172600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.172600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.172600 (E_RNA) where: Base-Base interactions energy: -330.382 where: short stacking energy: -303.706 Base-Backbone interact. energy: 2.553 local terms energy: -562.343221 where: bonds (distance) C4'-P energy: -149.030 bonds (distance) P-C4' energy: -169.388 flat angles C4'-P-C4' energy: -131.280 flat angles P-C4'-P energy: -81.652 tors. eta vs tors. theta energy: -30.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -853.850185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.850185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.850185 (E_RNA) where: Base-Base interactions energy: -342.608 where: short stacking energy: -279.315 Base-Backbone interact. energy: 1.322 local terms energy: -512.564643 where: bonds (distance) C4'-P energy: -140.408 bonds (distance) P-C4' energy: -144.356 flat angles C4'-P-C4' energy: -140.186 flat angles P-C4'-P energy: -87.292 tors. eta vs tors. theta energy: -0.323 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: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -736.612493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.612493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.612493 (E_RNA) where: Base-Base interactions energy: -246.648 where: short stacking energy: -203.321 Base-Backbone interact. energy: 0.004 local terms energy: -489.969061 where: bonds (distance) C4'-P energy: -150.999 bonds (distance) P-C4' energy: -161.935 flat angles C4'-P-C4' energy: -113.109 flat angles P-C4'-P energy: -68.773 tors. eta vs tors. theta energy: 4.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -690.992304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.992304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.992304 (E_RNA) where: Base-Base interactions energy: -235.098 where: short stacking energy: -180.810 Base-Backbone interact. energy: 4.190 local terms energy: -460.084816 where: bonds (distance) C4'-P energy: -125.198 bonds (distance) P-C4' energy: -141.190 flat angles C4'-P-C4' energy: -144.081 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: 25.997 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: 6 Temperature: 1.350000 Total energy: -678.243439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.243439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.243439 (E_RNA) where: Base-Base interactions energy: -260.988 where: short stacking energy: -197.911 Base-Backbone interact. energy: -0.194 local terms energy: -417.061014 where: bonds (distance) C4'-P energy: -126.909 bonds (distance) P-C4' energy: -138.320 flat angles C4'-P-C4' energy: -98.474 flat angles P-C4'-P energy: -84.721 tors. eta vs tors. theta energy: 31.363 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1419.344826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.344826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.344826 (E_RNA) where: Base-Base interactions energy: -645.645 where: short stacking energy: -591.167 Base-Backbone interact. energy: -1.497 local terms energy: -772.202397 where: bonds (distance) C4'-P energy: -165.201 bonds (distance) P-C4' energy: -165.078 flat angles C4'-P-C4' energy: -166.932 flat angles P-C4'-P energy: -123.962 tors. eta vs tors. theta energy: -151.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1406.766050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.766050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.766050 (E_RNA) where: Base-Base interactions energy: -672.011 where: short stacking energy: -540.296 Base-Backbone interact. energy: 1.156 local terms energy: -735.911028 where: bonds (distance) C4'-P energy: -155.573 bonds (distance) P-C4' energy: -175.871 flat angles C4'-P-C4' energy: -176.714 flat angles P-C4'-P energy: -109.513 tors. eta vs tors. theta energy: -118.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1256.365743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.365743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.365743 (E_RNA) where: Base-Base interactions energy: -567.479 where: short stacking energy: -487.592 Base-Backbone interact. energy: -2.784 local terms energy: -686.103357 where: bonds (distance) C4'-P energy: -139.344 bonds (distance) P-C4' energy: -165.818 flat angles C4'-P-C4' energy: -172.596 flat angles P-C4'-P energy: -88.276 tors. eta vs tors. theta energy: -120.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1230.923966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.923966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.923966 (E_RNA) where: Base-Base interactions energy: -561.943 where: short stacking energy: -430.031 Base-Backbone interact. energy: -0.419 local terms energy: -668.562921 where: bonds (distance) C4'-P energy: -162.066 bonds (distance) P-C4' energy: -161.231 flat angles C4'-P-C4' energy: -163.994 flat angles P-C4'-P energy: -106.535 tors. eta vs tors. theta energy: -74.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1020.200099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.200099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.200099 (E_RNA) where: Base-Base interactions energy: -448.313 where: short stacking energy: -366.148 Base-Backbone interact. energy: -0.440 local terms energy: -571.446422 where: bonds (distance) C4'-P energy: -126.845 bonds (distance) P-C4' energy: -157.389 flat angles C4'-P-C4' energy: -145.046 flat angles P-C4'-P energy: -102.701 tors. eta vs tors. theta energy: -39.465 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: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -903.566820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.566820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.566820 (E_RNA) where: Base-Base interactions energy: -353.727 where: short stacking energy: -274.651 Base-Backbone interact. energy: 1.829 local terms energy: -551.669310 where: bonds (distance) C4'-P energy: -154.114 bonds (distance) P-C4' energy: -150.757 flat angles C4'-P-C4' energy: -141.380 flat angles P-C4'-P energy: -80.325 tors. eta vs tors. theta energy: -25.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -836.879780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.879780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.879780 (E_RNA) where: Base-Base interactions energy: -311.604 where: short stacking energy: -267.596 Base-Backbone interact. energy: -2.268 local terms energy: -523.007516 where: bonds (distance) C4'-P energy: -143.466 bonds (distance) P-C4' energy: -140.388 flat angles C4'-P-C4' energy: -142.986 flat angles P-C4'-P energy: -87.517 tors. eta vs tors. theta energy: -8.650 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: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -797.631934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.631934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.631934 (E_RNA) where: Base-Base interactions energy: -296.692 where: short stacking energy: -235.124 Base-Backbone interact. energy: -1.590 local terms energy: -499.349989 where: bonds (distance) C4'-P energy: -139.899 bonds (distance) P-C4' energy: -144.954 flat angles C4'-P-C4' energy: -111.068 flat angles P-C4'-P energy: -84.325 tors. eta vs tors. theta energy: -19.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -730.525384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.525384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.525384 (E_RNA) where: Base-Base interactions energy: -274.815 where: short stacking energy: -204.544 Base-Backbone interact. energy: 0.229 local terms energy: -455.939376 where: bonds (distance) C4'-P energy: -124.348 bonds (distance) P-C4' energy: -157.074 flat angles C4'-P-C4' energy: -119.618 flat angles P-C4'-P energy: -77.207 tors. eta vs tors. theta energy: 22.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -683.692522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.692522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.692522 (E_RNA) where: Base-Base interactions energy: -303.721 where: short stacking energy: -209.254 Base-Backbone interact. energy: 1.050 local terms energy: -381.022051 where: bonds (distance) C4'-P energy: -126.137 bonds (distance) P-C4' energy: -125.590 flat angles C4'-P-C4' energy: -105.379 flat angles P-C4'-P energy: -56.552 tors. eta vs tors. theta energy: 32.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1486.738801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.738801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.738801 (E_RNA) where: Base-Base interactions energy: -716.167 where: short stacking energy: -569.723 Base-Backbone interact. energy: -1.563 local terms energy: -769.008789 where: bonds (distance) C4'-P energy: -161.462 bonds (distance) P-C4' energy: -171.026 flat angles C4'-P-C4' energy: -171.307 flat angles P-C4'-P energy: -114.753 tors. eta vs tors. theta energy: -150.461 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1322.005823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.005823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.005823 (E_RNA) where: Base-Base interactions energy: -588.662 where: short stacking energy: -531.039 Base-Backbone interact. energy: 0.052 local terms energy: -733.395917 where: bonds (distance) C4'-P energy: -149.172 bonds (distance) P-C4' energy: -163.956 flat angles C4'-P-C4' energy: -160.613 flat angles P-C4'-P energy: -114.744 tors. eta vs tors. theta energy: -144.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1312.512290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.512290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.512290 (E_RNA) where: Base-Base interactions energy: -645.981 where: short stacking energy: -440.832 Base-Backbone interact. energy: -3.612 local terms energy: -662.919137 where: bonds (distance) C4'-P energy: -167.278 bonds (distance) P-C4' energy: -168.263 flat angles C4'-P-C4' energy: -143.712 flat angles P-C4'-P energy: -103.153 tors. eta vs tors. theta energy: -80.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1067.774624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.774624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.774624 (E_RNA) where: Base-Base interactions energy: -476.936 where: short stacking energy: -367.207 Base-Backbone interact. energy: -0.440 local terms energy: -590.398926 where: bonds (distance) C4'-P energy: -157.739 bonds (distance) P-C4' energy: -166.085 flat angles C4'-P-C4' energy: -138.167 flat angles P-C4'-P energy: -89.432 tors. eta vs tors. theta energy: -38.976 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: 8 Temperature: 1.100000 Total energy: -1007.342066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.342066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.342066 (E_RNA) where: Base-Base interactions energy: -423.674 where: short stacking energy: -330.243 Base-Backbone interact. energy: 0.844 local terms energy: -584.511762 where: bonds (distance) C4'-P energy: -143.971 bonds (distance) P-C4' energy: -151.597 flat angles C4'-P-C4' energy: -148.235 flat angles P-C4'-P energy: -108.344 tors. eta vs tors. theta energy: -32.364 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: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -996.275961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.275961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.275961 (E_RNA) where: Base-Base interactions energy: -413.035 where: short stacking energy: -348.224 Base-Backbone interact. energy: 2.410 local terms energy: -585.650610 where: bonds (distance) C4'-P energy: -157.562 bonds (distance) P-C4' energy: -150.627 flat angles C4'-P-C4' energy: -152.933 flat angles P-C4'-P energy: -81.656 tors. eta vs tors. theta energy: -42.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -823.032751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.032751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.032751 (E_RNA) where: Base-Base interactions energy: -317.341 where: short stacking energy: -257.627 Base-Backbone interact. energy: -2.197 local terms energy: -503.494801 where: bonds (distance) C4'-P energy: -148.928 bonds (distance) P-C4' energy: -145.475 flat angles C4'-P-C4' energy: -131.831 flat angles P-C4'-P energy: -87.102 tors. eta vs tors. theta energy: 9.842 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: 5 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -747.486692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.486692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.486692 (E_RNA) where: Base-Base interactions energy: -267.072 where: short stacking energy: -232.542 Base-Backbone interact. energy: -0.422 local terms energy: -479.992384 where: bonds (distance) C4'-P energy: -127.046 bonds (distance) P-C4' energy: -154.097 flat angles C4'-P-C4' energy: -118.992 flat angles P-C4'-P energy: -64.221 tors. eta vs tors. theta energy: -15.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -817.482549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.482549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.482549 (E_RNA) where: Base-Base interactions energy: -382.335 where: short stacking energy: -251.655 Base-Backbone interact. energy: 4.188 local terms energy: -439.335491 where: bonds (distance) C4'-P energy: -124.650 bonds (distance) P-C4' energy: -139.075 flat angles C4'-P-C4' energy: -115.659 flat angles P-C4'-P energy: -75.066 tors. eta vs tors. theta energy: 15.114 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: 8 Temperature: 1.350000 Total energy: -667.498934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.498934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.498934 (E_RNA) where: Base-Base interactions energy: -234.729 where: short stacking energy: -167.376 Base-Backbone interact. energy: 3.002 local terms energy: -435.771525 where: bonds (distance) C4'-P energy: -142.290 bonds (distance) P-C4' energy: -143.886 flat angles C4'-P-C4' energy: -97.635 flat angles P-C4'-P energy: -66.095 tors. eta vs tors. theta energy: 14.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1506.744612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.744612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.744612 (E_RNA) where: Base-Base interactions energy: -707.218 where: short stacking energy: -551.363 Base-Backbone interact. energy: -1.437 local terms energy: -798.089749 where: bonds (distance) C4'-P energy: -165.496 bonds (distance) P-C4' energy: -180.624 flat angles C4'-P-C4' energy: -193.231 flat angles P-C4'-P energy: -109.167 tors. eta vs tors. theta energy: -149.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1535.684070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.684070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.684070 (E_RNA) where: Base-Base interactions energy: -824.198 where: short stacking energy: -546.896 Base-Backbone interact. energy: 2.215 local terms energy: -713.701817 where: bonds (distance) C4'-P energy: -152.690 bonds (distance) P-C4' energy: -152.209 flat angles C4'-P-C4' energy: -167.505 flat angles P-C4'-P energy: -102.897 tors. eta vs tors. theta energy: -138.401 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: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1308.604910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.604910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.604910 (E_RNA) where: Base-Base interactions energy: -619.309 where: short stacking energy: -489.634 Base-Backbone interact. energy: -3.303 local terms energy: -685.992821 where: bonds (distance) C4'-P energy: -155.148 bonds (distance) P-C4' energy: -156.745 flat angles C4'-P-C4' energy: -144.644 flat angles P-C4'-P energy: -112.232 tors. eta vs tors. theta energy: -117.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1093.464214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.464214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.464214 (E_RNA) where: Base-Base interactions energy: -480.239 where: short stacking energy: -374.651 Base-Backbone interact. energy: -0.607 local terms energy: -612.617876 where: bonds (distance) C4'-P energy: -151.259 bonds (distance) P-C4' energy: -153.566 flat angles C4'-P-C4' energy: -161.776 flat angles P-C4'-P energy: -80.145 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: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1136.239228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.239228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.239228 (E_RNA) where: Base-Base interactions energy: -515.536 where: short stacking energy: -390.682 Base-Backbone interact. energy: 0.950 local terms energy: -621.653140 where: bonds (distance) C4'-P energy: -151.248 bonds (distance) P-C4' energy: -163.362 flat angles C4'-P-C4' energy: -150.971 flat angles P-C4'-P energy: -104.038 tors. eta vs tors. theta energy: -52.034 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: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -939.500374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.500374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.500374 (E_RNA) where: Base-Base interactions energy: -395.103 where: short stacking energy: -283.577 Base-Backbone interact. energy: -1.381 local terms energy: -543.016096 where: bonds (distance) C4'-P energy: -160.917 bonds (distance) P-C4' energy: -160.535 flat angles C4'-P-C4' energy: -116.161 flat angles P-C4'-P energy: -78.185 tors. eta vs tors. theta energy: -27.219 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: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -870.765696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.765696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.765696 (E_RNA) where: Base-Base interactions energy: -392.304 where: short stacking energy: -263.682 Base-Backbone interact. energy: 2.332 local terms energy: -480.793829 where: bonds (distance) C4'-P energy: -126.665 bonds (distance) P-C4' energy: -134.825 flat angles C4'-P-C4' energy: -141.168 flat angles P-C4'-P energy: -79.106 tors. eta vs tors. theta energy: 0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -848.879807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.879807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.879807 (E_RNA) where: Base-Base interactions energy: -347.599 where: short stacking energy: -253.148 Base-Backbone interact. energy: -3.510 local terms energy: -497.771669 where: bonds (distance) C4'-P energy: -148.993 bonds (distance) P-C4' energy: -146.068 flat angles C4'-P-C4' energy: -119.362 flat angles P-C4'-P energy: -73.852 tors. eta vs tors. theta energy: -9.497 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: 5 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -678.615113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.615113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.615113 (E_RNA) where: Base-Base interactions energy: -255.403 where: short stacking energy: -221.086 Base-Backbone interact. energy: 6.554 local terms energy: -429.765803 where: bonds (distance) C4'-P energy: -134.895 bonds (distance) P-C4' energy: -153.754 flat angles C4'-P-C4' energy: -106.804 flat angles P-C4'-P energy: -70.771 tors. eta vs tors. theta energy: 36.458 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -693.129591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.129591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.129591 (E_RNA) where: Base-Base interactions energy: -283.686 where: short stacking energy: -202.162 Base-Backbone interact. energy: -0.439 local terms energy: -409.005154 where: bonds (distance) C4'-P energy: -132.856 bonds (distance) P-C4' energy: -134.169 flat angles C4'-P-C4' energy: -103.459 flat angles P-C4'-P energy: -61.685 tors. eta vs tors. theta energy: 23.164 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: 1, replica: 6 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1732.643112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.643112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.643112 (E_RNA) where: Base-Base interactions energy: -942.398 where: short stacking energy: -596.781 Base-Backbone interact. energy: -1.753 local terms energy: -788.492055 where: bonds (distance) C4'-P energy: -159.273 bonds (distance) P-C4' energy: -186.429 flat angles C4'-P-C4' energy: -180.984 flat angles P-C4'-P energy: -108.651 tors. eta vs tors. theta energy: -153.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1520.039874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.039874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.039874 (E_RNA) where: Base-Base interactions energy: -802.434 where: short stacking energy: -513.616 Base-Backbone interact. energy: -1.265 local terms energy: -716.340988 where: bonds (distance) C4'-P energy: -144.903 bonds (distance) P-C4' energy: -172.586 flat angles C4'-P-C4' energy: -180.516 flat angles P-C4'-P energy: -93.795 tors. eta vs tors. theta energy: -124.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1287.638773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.638773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.638773 (E_RNA) where: Base-Base interactions energy: -618.816 where: short stacking energy: -423.800 Base-Backbone interact. energy: -2.662 local terms energy: -666.160104 where: bonds (distance) C4'-P energy: -143.043 bonds (distance) P-C4' energy: -166.454 flat angles C4'-P-C4' energy: -150.338 flat angles P-C4'-P energy: -118.614 tors. eta vs tors. theta energy: -87.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1087.244140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.244140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.244140 (E_RNA) where: Base-Base interactions energy: -455.511 where: short stacking energy: -372.912 Base-Backbone interact. energy: -3.443 local terms energy: -628.290179 where: bonds (distance) C4'-P energy: -162.059 bonds (distance) P-C4' energy: -162.459 flat angles C4'-P-C4' energy: -141.630 flat angles P-C4'-P energy: -96.804 tors. eta vs tors. theta energy: -65.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1189.954998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.954998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.954998 (E_RNA) where: Base-Base interactions energy: -572.660 where: short stacking energy: -390.653 Base-Backbone interact. energy: 2.672 local terms energy: -619.967362 where: bonds (distance) C4'-P energy: -148.732 bonds (distance) P-C4' energy: -159.002 flat angles C4'-P-C4' energy: -158.886 flat angles P-C4'-P energy: -91.246 tors. eta vs tors. theta energy: -62.102 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: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -921.719146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.719146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.719146 (E_RNA) where: Base-Base interactions energy: -376.328 where: short stacking energy: -274.726 Base-Backbone interact. energy: -0.496 local terms energy: -544.895010 where: bonds (distance) C4'-P energy: -153.879 bonds (distance) P-C4' energy: -156.208 flat angles C4'-P-C4' energy: -119.263 flat angles P-C4'-P energy: -72.428 tors. eta vs tors. theta energy: -43.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -875.287728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.287728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.287728 (E_RNA) where: Base-Base interactions energy: -378.317 where: short stacking energy: -258.535 Base-Backbone interact. energy: 3.279 local terms energy: -500.249535 where: bonds (distance) C4'-P energy: -152.722 bonds (distance) P-C4' energy: -142.930 flat angles C4'-P-C4' energy: -131.676 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: -6.255 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: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -840.374128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.374128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.374128 (E_RNA) where: Base-Base interactions energy: -350.075 where: short stacking energy: -241.873 Base-Backbone interact. energy: 0.117 local terms energy: -490.415682 where: bonds (distance) C4'-P energy: -147.217 bonds (distance) P-C4' energy: -151.802 flat angles C4'-P-C4' energy: -117.675 flat angles P-C4'-P energy: -77.190 tors. eta vs tors. theta energy: 3.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -690.062623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.062623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.062623 (E_RNA) where: Base-Base interactions energy: -247.224 where: short stacking energy: -172.496 Base-Backbone interact. energy: -3.098 local terms energy: -439.739778 where: bonds (distance) C4'-P energy: -121.529 bonds (distance) P-C4' energy: -136.064 flat angles C4'-P-C4' energy: -125.050 flat angles P-C4'-P energy: -85.032 tors. eta vs tors. theta energy: 27.935 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: 5 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -637.336179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.336179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.336179 (E_RNA) where: Base-Base interactions energy: -213.404 where: short stacking energy: -197.648 Base-Backbone interact. energy: 1.669 local terms energy: -425.600978 where: bonds (distance) C4'-P energy: -119.424 bonds (distance) P-C4' energy: -154.224 flat angles C4'-P-C4' energy: -107.099 flat angles P-C4'-P energy: -76.979 tors. eta vs tors. theta energy: 32.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1760.157653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.157653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.157653 (E_RNA) where: Base-Base interactions energy: -961.564 where: short stacking energy: -628.700 Base-Backbone interact. energy: 0.181 local terms energy: -798.775103 where: bonds (distance) C4'-P energy: -174.006 bonds (distance) P-C4' energy: -170.637 flat angles C4'-P-C4' energy: -170.462 flat angles P-C4'-P energy: -113.102 tors. eta vs tors. theta energy: -170.568 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: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1554.706016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.706016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.706016 (E_RNA) where: Base-Base interactions energy: -808.503 where: short stacking energy: -594.261 Base-Backbone interact. energy: -0.822 local terms energy: -745.381637 where: bonds (distance) C4'-P energy: -159.773 bonds (distance) P-C4' energy: -171.197 flat angles C4'-P-C4' energy: -152.667 flat angles P-C4'-P energy: -110.332 tors. eta vs tors. theta energy: -151.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1340.209376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.209376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.209376 (E_RNA) where: Base-Base interactions energy: -665.601 where: short stacking energy: -468.993 Base-Backbone interact. energy: -2.314 local terms energy: -672.294045 where: bonds (distance) C4'-P energy: -163.534 bonds (distance) P-C4' energy: -154.728 flat angles C4'-P-C4' energy: -167.675 flat angles P-C4'-P energy: -106.174 tors. eta vs tors. theta energy: -80.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1234.695814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.695814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.695814 (E_RNA) where: Base-Base interactions energy: -590.960 where: short stacking energy: -402.154 Base-Backbone interact. energy: 1.874 local terms energy: -645.609895 where: bonds (distance) C4'-P energy: -161.880 bonds (distance) P-C4' energy: -158.708 flat angles C4'-P-C4' energy: -153.471 flat angles P-C4'-P energy: -109.434 tors. eta vs tors. theta energy: -62.116 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: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -999.023257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.023257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.023257 (E_RNA) where: Base-Base interactions energy: -430.725 where: short stacking energy: -356.252 Base-Backbone interact. energy: -3.339 local terms energy: -564.958644 where: bonds (distance) C4'-P energy: -149.832 bonds (distance) P-C4' energy: -148.740 flat angles C4'-P-C4' energy: -137.144 flat angles P-C4'-P energy: -93.962 tors. eta vs tors. theta energy: -35.280 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: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -996.820233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.820233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.820233 (E_RNA) where: Base-Base interactions energy: -443.889 where: short stacking energy: -302.676 Base-Backbone interact. energy: -0.516 local terms energy: -552.415295 where: bonds (distance) C4'-P energy: -138.293 bonds (distance) P-C4' energy: -166.721 flat angles C4'-P-C4' energy: -136.077 flat angles P-C4'-P energy: -72.970 tors. eta vs tors. theta energy: -38.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -840.822640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.822640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.822640 (E_RNA) where: Base-Base interactions energy: -343.594 where: short stacking energy: -257.183 Base-Backbone interact. energy: 2.071 local terms energy: -499.299579 where: bonds (distance) C4'-P energy: -131.891 bonds (distance) P-C4' energy: -158.739 flat angles C4'-P-C4' energy: -127.063 flat angles P-C4'-P energy: -59.075 tors. eta vs tors. theta energy: -22.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -832.786885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.786885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.786885 (E_RNA) where: Base-Base interactions energy: -357.096 where: short stacking energy: -226.357 Base-Backbone interact. energy: -4.001 local terms energy: -471.689640 where: bonds (distance) C4'-P energy: -137.953 bonds (distance) P-C4' energy: -140.806 flat angles C4'-P-C4' energy: -133.614 flat angles P-C4'-P energy: -72.998 tors. eta vs tors. theta energy: 13.681 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: 11 Temperature: 1.300000 Total energy: -665.681585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.681585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.681585 (E_RNA) where: Base-Base interactions energy: -245.375 where: short stacking energy: -186.403 Base-Backbone interact. energy: 8.242 local terms energy: -428.548239 where: bonds (distance) C4'-P energy: -141.761 bonds (distance) P-C4' energy: -123.455 flat angles C4'-P-C4' energy: -126.378 flat angles P-C4'-P energy: -58.092 tors. eta vs tors. theta energy: 21.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -637.867147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.867147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.867147 (E_RNA) where: Base-Base interactions energy: -208.358 where: short stacking energy: -191.434 Base-Backbone interact. energy: 1.367 local terms energy: -430.876677 where: bonds (distance) C4'-P energy: -138.294 bonds (distance) P-C4' energy: -128.675 flat angles C4'-P-C4' energy: -107.621 flat angles P-C4'-P energy: -70.375 tors. eta vs tors. theta energy: 14.088 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: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1827.459724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.459724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.459724 (E_RNA) where: Base-Base interactions energy: -1026.155 where: short stacking energy: -651.456 Base-Backbone interact. energy: -2.051 local terms energy: -799.254407 where: bonds (distance) C4'-P energy: -175.058 bonds (distance) P-C4' energy: -164.635 flat angles C4'-P-C4' energy: -185.515 flat angles P-C4'-P energy: -99.897 tors. eta vs tors. theta energy: -174.150 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: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1578.268141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.268141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.268141 (E_RNA) where: Base-Base interactions energy: -839.860 where: short stacking energy: -533.435 Base-Backbone interact. energy: 2.916 local terms energy: -741.323567 where: bonds (distance) C4'-P energy: -153.580 bonds (distance) P-C4' energy: -150.785 flat angles C4'-P-C4' energy: -182.807 flat angles P-C4'-P energy: -118.630 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: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1426.783167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.783167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.783167 (E_RNA) where: Base-Base interactions energy: -686.165 where: short stacking energy: -494.978 Base-Backbone interact. energy: -2.980 local terms energy: -737.638710 where: bonds (distance) C4'-P energy: -147.650 bonds (distance) P-C4' energy: -164.897 flat angles C4'-P-C4' energy: -162.456 flat angles P-C4'-P energy: -119.110 tors. eta vs tors. theta energy: -143.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1288.983820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.983820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.983820 (E_RNA) where: Base-Base interactions energy: -669.924 where: short stacking energy: -447.877 Base-Backbone interact. energy: -2.261 local terms energy: -616.798096 where: bonds (distance) C4'-P energy: -138.490 bonds (distance) P-C4' energy: -148.125 flat angles C4'-P-C4' energy: -158.387 flat angles P-C4'-P energy: -93.280 tors. eta vs tors. theta energy: -78.516 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: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1234.867440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.867440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.867440 (E_RNA) where: Base-Base interactions energy: -590.471 where: short stacking energy: -394.304 Base-Backbone interact. energy: -0.667 local terms energy: -643.729708 where: bonds (distance) C4'-P energy: -154.716 bonds (distance) P-C4' energy: -161.117 flat angles C4'-P-C4' energy: -153.098 flat angles P-C4'-P energy: -93.684 tors. eta vs tors. theta energy: -81.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -965.158693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.158693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.158693 (E_RNA) where: Base-Base interactions energy: -414.855 where: short stacking energy: -292.995 Base-Backbone interact. energy: 4.976 local terms energy: -555.279729 where: bonds (distance) C4'-P energy: -135.623 bonds (distance) P-C4' energy: -159.766 flat angles C4'-P-C4' energy: -148.715 flat angles P-C4'-P energy: -79.429 tors. eta vs tors. theta energy: -31.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -913.644571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.644571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.644571 (E_RNA) where: Base-Base interactions energy: -393.572 where: short stacking energy: -264.660 Base-Backbone interact. energy: -2.273 local terms energy: -517.799706 where: bonds (distance) C4'-P energy: -138.080 bonds (distance) P-C4' energy: -146.965 flat angles C4'-P-C4' energy: -148.481 flat angles P-C4'-P energy: -68.397 tors. eta vs tors. theta energy: -15.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -805.914820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.914820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.914820 (E_RNA) where: Base-Base interactions energy: -336.958 where: short stacking energy: -239.631 Base-Backbone interact. energy: 0.442 local terms energy: -469.398159 where: bonds (distance) C4'-P energy: -131.158 bonds (distance) P-C4' energy: -152.589 flat angles C4'-P-C4' energy: -124.742 flat angles P-C4'-P energy: -57.534 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -678.146348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.146348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.146348 (E_RNA) where: Base-Base interactions energy: -269.614 where: short stacking energy: -203.173 Base-Backbone interact. energy: 5.874 local terms energy: -414.405562 where: bonds (distance) C4'-P energy: -128.241 bonds (distance) P-C4' energy: -135.134 flat angles C4'-P-C4' energy: -116.574 flat angles P-C4'-P energy: -70.492 tors. eta vs tors. theta energy: 36.036 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: 5 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -649.852088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.852088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.852088 (E_RNA) where: Base-Base interactions energy: -224.211 where: short stacking energy: -179.459 Base-Backbone interact. energy: -1.375 local terms energy: -424.266408 where: bonds (distance) C4'-P energy: -111.615 bonds (distance) P-C4' energy: -131.881 flat angles C4'-P-C4' energy: -123.190 flat angles P-C4'-P energy: -67.657 tors. eta vs tors. theta energy: 10.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1749.739154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.739154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.739154 (E_RNA) where: Base-Base interactions energy: -976.165 where: short stacking energy: -602.825 Base-Backbone interact. energy: -4.953 local terms energy: -768.620528 where: bonds (distance) C4'-P energy: -153.036 bonds (distance) P-C4' energy: -169.409 flat angles C4'-P-C4' energy: -175.964 flat angles P-C4'-P energy: -106.602 tors. eta vs tors. theta energy: -163.610 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: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1609.276093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.276093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.276093 (E_RNA) where: Base-Base interactions energy: -865.251 where: short stacking energy: -533.908 Base-Backbone interact. energy: 1.685 local terms energy: -745.709901 where: bonds (distance) C4'-P energy: -168.844 bonds (distance) P-C4' energy: -156.426 flat angles C4'-P-C4' energy: -164.144 flat angles P-C4'-P energy: -126.930 tors. eta vs tors. theta energy: -129.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1444.607355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.607355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.607355 (E_RNA) where: Base-Base interactions energy: -765.080 where: short stacking energy: -468.504 Base-Backbone interact. energy: -0.032 local terms energy: -679.495662 where: bonds (distance) C4'-P energy: -162.448 bonds (distance) P-C4' energy: -168.326 flat angles C4'-P-C4' energy: -150.337 flat angles P-C4'-P energy: -91.507 tors. eta vs tors. theta energy: -106.877 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: 4, replica: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1425.958810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.958810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.958810 (E_RNA) where: Base-Base interactions energy: -782.271 where: short stacking energy: -498.247 Base-Backbone interact. energy: -0.166 local terms energy: -643.522162 where: bonds (distance) C4'-P energy: -142.431 bonds (distance) P-C4' energy: -149.851 flat angles C4'-P-C4' energy: -157.844 flat angles P-C4'-P energy: -106.226 tors. eta vs tors. theta energy: -87.170 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: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1140.468542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.468542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.468542 (E_RNA) where: Base-Base interactions energy: -531.063 where: short stacking energy: -333.718 Base-Backbone interact. energy: -2.619 local terms energy: -606.786005 where: bonds (distance) C4'-P energy: -158.954 bonds (distance) P-C4' energy: -167.421 flat angles C4'-P-C4' energy: -130.277 flat angles P-C4'-P energy: -102.099 tors. eta vs tors. theta energy: -48.035 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: 6, replica: 2 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -962.863099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.863099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.863099 (E_RNA) where: Base-Base interactions energy: -415.187 where: short stacking energy: -335.278 Base-Backbone interact. energy: -4.484 local terms energy: -543.191736 where: bonds (distance) C4'-P energy: -160.950 bonds (distance) P-C4' energy: -147.228 flat angles C4'-P-C4' energy: -127.104 flat angles P-C4'-P energy: -58.791 tors. eta vs tors. theta energy: -49.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -978.362255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.362255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.362255 (E_RNA) where: Base-Base interactions energy: -424.661 where: short stacking energy: -291.027 Base-Backbone interact. energy: 4.029 local terms energy: -557.730606 where: bonds (distance) C4'-P energy: -122.707 bonds (distance) P-C4' energy: -160.555 flat angles C4'-P-C4' energy: -146.316 flat angles P-C4'-P energy: -86.586 tors. eta vs tors. theta energy: -41.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -835.397931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.397931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.397931 (E_RNA) where: Base-Base interactions energy: -361.258 where: short stacking energy: -255.641 Base-Backbone interact. energy: 1.286 local terms energy: -475.425287 where: bonds (distance) C4'-P energy: -125.414 bonds (distance) P-C4' energy: -135.361 flat angles C4'-P-C4' energy: -133.394 flat angles P-C4'-P energy: -75.676 tors. eta vs tors. theta energy: -5.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -734.872406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.872406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.872406 (E_RNA) where: Base-Base interactions energy: -271.511 where: short stacking energy: -170.117 Base-Backbone interact. energy: 2.596 local terms energy: -465.957283 where: bonds (distance) C4'-P energy: -140.530 bonds (distance) P-C4' energy: -128.887 flat angles C4'-P-C4' energy: -131.687 flat angles P-C4'-P energy: -88.369 tors. eta vs tors. theta energy: 23.516 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: 5 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -614.099261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.099261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.099261 (E_RNA) where: Base-Base interactions energy: -209.683 where: short stacking energy: -174.951 Base-Backbone interact. energy: 0.408 local terms energy: -404.823873 where: bonds (distance) C4'-P energy: -128.685 bonds (distance) P-C4' energy: -137.012 flat angles C4'-P-C4' energy: -118.532 flat angles P-C4'-P energy: -36.503 tors. eta vs tors. theta energy: 15.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1799.211164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.211164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.211164 (E_RNA) where: Base-Base interactions energy: -1026.194 where: short stacking energy: -614.651 Base-Backbone interact. energy: -4.331 local terms energy: -768.685594 where: bonds (distance) C4'-P energy: -155.894 bonds (distance) P-C4' energy: -168.098 flat angles C4'-P-C4' energy: -188.288 flat angles P-C4'-P energy: -120.680 tors. eta vs tors. theta energy: -135.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1585.806348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.806348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.806348 (E_RNA) where: Base-Base interactions energy: -849.210 where: short stacking energy: -522.216 Base-Backbone interact. energy: -1.755 local terms energy: -734.841754 where: bonds (distance) C4'-P energy: -167.547 bonds (distance) P-C4' energy: -143.512 flat angles C4'-P-C4' energy: -181.923 flat angles P-C4'-P energy: -107.137 tors. eta vs tors. theta energy: -134.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1494.284831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.284831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.284831 (E_RNA) where: Base-Base interactions energy: -801.499 where: short stacking energy: -507.816 Base-Backbone interact. energy: -2.140 local terms energy: -690.646301 where: bonds (distance) C4'-P energy: -172.894 bonds (distance) P-C4' energy: -143.917 flat angles C4'-P-C4' energy: -158.768 flat angles P-C4'-P energy: -100.574 tors. eta vs tors. theta energy: -114.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1452.155933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.155933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.155933 (E_RNA) where: Base-Base interactions energy: -817.077 where: short stacking energy: -449.461 Base-Backbone interact. energy: 1.022 local terms energy: -636.100361 where: bonds (distance) C4'-P energy: -135.761 bonds (distance) P-C4' energy: -147.519 flat angles C4'-P-C4' energy: -177.868 flat angles P-C4'-P energy: -96.887 tors. eta vs tors. theta energy: -78.066 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: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1164.155531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.155531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.155531 (E_RNA) where: Base-Base interactions energy: -572.721 where: short stacking energy: -355.672 Base-Backbone interact. energy: -0.961 local terms energy: -590.473598 where: bonds (distance) C4'-P energy: -146.581 bonds (distance) P-C4' energy: -175.163 flat angles C4'-P-C4' energy: -138.915 flat angles P-C4'-P energy: -95.719 tors. eta vs tors. theta energy: -34.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1000.303815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.303815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.303815 (E_RNA) where: Base-Base interactions energy: -456.838 where: short stacking energy: -300.228 Base-Backbone interact. energy: 2.900 local terms energy: -546.365802 where: bonds (distance) C4'-P energy: -142.616 bonds (distance) P-C4' energy: -153.303 flat angles C4'-P-C4' energy: -140.362 flat angles P-C4'-P energy: -80.463 tors. eta vs tors. theta energy: -29.622 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: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -993.352072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.352072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.352072 (E_RNA) where: Base-Base interactions energy: -496.884 where: short stacking energy: -277.617 Base-Backbone interact. energy: -2.088 local terms energy: -494.380208 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -132.202 flat angles C4'-P-C4' energy: -135.605 flat angles P-C4'-P energy: -88.744 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: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -741.218220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.218220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.218220 (E_RNA) where: Base-Base interactions energy: -282.353 where: short stacking energy: -231.258 Base-Backbone interact. energy: 1.892 local terms energy: -460.756472 where: bonds (distance) C4'-P energy: -136.737 bonds (distance) P-C4' energy: -143.926 flat angles C4'-P-C4' energy: -138.778 flat angles P-C4'-P energy: -57.269 tors. eta vs tors. theta energy: 15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -705.337593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.337593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.337593 (E_RNA) where: Base-Base interactions energy: -268.144 where: short stacking energy: -207.152 Base-Backbone interact. energy: 7.148 local terms energy: -444.341191 where: bonds (distance) C4'-P energy: -129.018 bonds (distance) P-C4' energy: -145.244 flat angles C4'-P-C4' energy: -130.036 flat angles P-C4'-P energy: -55.307 tors. eta vs tors. theta energy: 15.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -602.618679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.618679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.618679 (E_RNA) where: Base-Base interactions energy: -202.412 where: short stacking energy: -171.751 Base-Backbone interact. energy: -4.638 local terms energy: -395.568863 where: bonds (distance) C4'-P energy: -121.089 bonds (distance) P-C4' energy: -150.742 flat angles C4'-P-C4' energy: -102.897 flat angles P-C4'-P energy: -57.960 tors. eta vs tors. theta energy: 37.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1829.615447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.615447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.615447 (E_RNA) where: Base-Base interactions energy: -1039.096 where: short stacking energy: -630.551 Base-Backbone interact. energy: -2.659 local terms energy: -787.860832 where: bonds (distance) C4'-P energy: -154.196 bonds (distance) P-C4' energy: -157.402 flat angles C4'-P-C4' energy: -173.891 flat angles P-C4'-P energy: -131.913 tors. eta vs tors. theta energy: -170.460 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: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1616.095622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.095622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.095622 (E_RNA) where: Base-Base interactions energy: -891.618 where: short stacking energy: -535.170 Base-Backbone interact. energy: -2.995 local terms energy: -721.483102 where: bonds (distance) C4'-P energy: -154.684 bonds (distance) P-C4' energy: -156.428 flat angles C4'-P-C4' energy: -169.615 flat angles P-C4'-P energy: -113.800 tors. eta vs tors. theta energy: -126.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1525.132035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.132035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.132035 (E_RNA) where: Base-Base interactions energy: -833.800 where: short stacking energy: -509.491 Base-Backbone interact. energy: -1.823 local terms energy: -689.509095 where: bonds (distance) C4'-P energy: -153.823 bonds (distance) P-C4' energy: -156.123 flat angles C4'-P-C4' energy: -158.636 flat angles P-C4'-P energy: -105.059 tors. eta vs tors. theta energy: -115.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1455.718391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.718391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.718391 (E_RNA) where: Base-Base interactions energy: -797.127 where: short stacking energy: -420.429 Base-Backbone interact. energy: 0.940 local terms energy: -659.531865 where: bonds (distance) C4'-P energy: -151.260 bonds (distance) P-C4' energy: -159.777 flat angles C4'-P-C4' energy: -161.002 flat angles P-C4'-P energy: -108.196 tors. eta vs tors. theta energy: -79.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1298.976746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.976746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.976746 (E_RNA) where: Base-Base interactions energy: -688.652 where: short stacking energy: -411.060 Base-Backbone interact. energy: 2.030 local terms energy: -612.354786 where: bonds (distance) C4'-P energy: -145.792 bonds (distance) P-C4' energy: -151.304 flat angles C4'-P-C4' energy: -157.559 flat angles P-C4'-P energy: -81.018 tors. eta vs tors. theta energy: -76.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1276.007829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.007829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.007829 (E_RNA) where: Base-Base interactions energy: -669.531 where: short stacking energy: -393.168 Base-Backbone interact. energy: -1.488 local terms energy: -604.988088 where: bonds (distance) C4'-P energy: -141.785 bonds (distance) P-C4' energy: -156.384 flat angles C4'-P-C4' energy: -144.898 flat angles P-C4'-P energy: -92.046 tors. eta vs tors. theta energy: -69.875 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: 2 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -932.670946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.670946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.670946 (E_RNA) where: Base-Base interactions energy: -428.513 where: short stacking energy: -300.033 Base-Backbone interact. energy: 0.714 local terms energy: -504.872040 where: bonds (distance) C4'-P energy: -135.143 bonds (distance) P-C4' energy: -144.344 flat angles C4'-P-C4' energy: -143.415 flat angles P-C4'-P energy: -79.121 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -720.797232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.797232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.797232 (E_RNA) where: Base-Base interactions energy: -252.147 where: short stacking energy: -225.836 Base-Backbone interact. energy: -3.714 local terms energy: -464.936677 where: bonds (distance) C4'-P energy: -115.351 bonds (distance) P-C4' energy: -154.179 flat angles C4'-P-C4' energy: -130.823 flat angles P-C4'-P energy: -65.037 tors. eta vs tors. theta energy: 0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -673.402036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.402036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.402036 (E_RNA) where: Base-Base interactions energy: -247.250 where: short stacking energy: -181.910 Base-Backbone interact. energy: 0.823 local terms energy: -426.974618 where: bonds (distance) C4'-P energy: -121.590 bonds (distance) P-C4' energy: -125.692 flat angles C4'-P-C4' energy: -131.591 flat angles P-C4'-P energy: -68.109 tors. eta vs tors. theta energy: 20.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -687.060127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.060127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.060127 (E_RNA) where: Base-Base interactions energy: -314.558 where: short stacking energy: -238.607 Base-Backbone interact. energy: 8.584 local terms energy: -381.086300 where: bonds (distance) C4'-P energy: -113.039 bonds (distance) P-C4' energy: -118.152 flat angles C4'-P-C4' energy: -104.876 flat angles P-C4'-P energy: -54.331 tors. eta vs tors. theta energy: 9.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1894.713320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.713320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.713320 (E_RNA) where: Base-Base interactions energy: -1122.938 where: short stacking energy: -631.524 Base-Backbone interact. energy: 0.709 local terms energy: -772.484117 where: bonds (distance) C4'-P energy: -151.099 bonds (distance) P-C4' energy: -177.128 flat angles C4'-P-C4' energy: -185.146 flat angles P-C4'-P energy: -112.301 tors. eta vs tors. theta energy: -146.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1596.418087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.418087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.418087 (E_RNA) where: Base-Base interactions energy: -868.310 where: short stacking energy: -505.100 Base-Backbone interact. energy: -2.523 local terms energy: -725.584989 where: bonds (distance) C4'-P energy: -152.004 bonds (distance) P-C4' energy: -173.806 flat angles C4'-P-C4' energy: -176.889 flat angles P-C4'-P energy: -115.797 tors. eta vs tors. theta energy: -107.089 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: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1685.768325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.768325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.768325 (E_RNA) where: Base-Base interactions energy: -944.687 where: short stacking energy: -553.929 Base-Backbone interact. energy: -1.914 local terms energy: -739.167414 where: bonds (distance) C4'-P energy: -158.163 bonds (distance) P-C4' energy: -155.667 flat angles C4'-P-C4' energy: -177.148 flat angles P-C4'-P energy: -102.610 tors. eta vs tors. theta energy: -145.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1446.280354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.280354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.280354 (E_RNA) where: Base-Base interactions energy: -751.698 where: short stacking energy: -485.879 Base-Backbone interact. energy: -1.193 local terms energy: -693.389154 where: bonds (distance) C4'-P energy: -134.157 bonds (distance) P-C4' energy: -171.894 flat angles C4'-P-C4' energy: -159.539 flat angles P-C4'-P energy: -106.626 tors. eta vs tors. theta energy: -121.174 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: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1379.800693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.800693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.800693 (E_RNA) where: Base-Base interactions energy: -808.737 where: short stacking energy: -403.744 Base-Backbone interact. energy: 3.537 local terms energy: -574.600192 where: bonds (distance) C4'-P energy: -138.671 bonds (distance) P-C4' energy: -154.226 flat angles C4'-P-C4' energy: -144.380 flat angles P-C4'-P energy: -72.313 tors. eta vs tors. theta energy: -65.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1257.364481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.364481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.364481 (E_RNA) where: Base-Base interactions energy: -651.964 where: short stacking energy: -352.579 Base-Backbone interact. energy: -0.819 local terms energy: -604.582067 where: bonds (distance) C4'-P energy: -157.121 bonds (distance) P-C4' energy: -149.752 flat angles C4'-P-C4' energy: -133.601 flat angles P-C4'-P energy: -100.613 tors. eta vs tors. theta energy: -63.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -917.017823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.017823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.017823 (E_RNA) where: Base-Base interactions energy: -382.366 where: short stacking energy: -265.296 Base-Backbone interact. energy: 5.355 local terms energy: -540.005998 where: bonds (distance) C4'-P energy: -151.812 bonds (distance) P-C4' energy: -146.884 flat angles C4'-P-C4' energy: -151.036 flat angles P-C4'-P energy: -85.602 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -758.588972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.588972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.588972 (E_RNA) where: Base-Base interactions energy: -274.399 where: short stacking energy: -224.149 Base-Backbone interact. energy: -1.042 local terms energy: -483.147502 where: bonds (distance) C4'-P energy: -126.832 bonds (distance) P-C4' energy: -158.268 flat angles C4'-P-C4' energy: -116.526 flat angles P-C4'-P energy: -89.304 tors. eta vs tors. theta energy: 7.783 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: 9, replica: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -822.884019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.884019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.884019 (E_RNA) where: Base-Base interactions energy: -356.009 where: short stacking energy: -243.261 Base-Backbone interact. energy: 3.734 local terms energy: -470.608843 where: bonds (distance) C4'-P energy: -147.095 bonds (distance) P-C4' energy: -136.999 flat angles C4'-P-C4' energy: -112.580 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -7.725 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: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -608.863807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.863807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.863807 (E_RNA) where: Base-Base interactions energy: -175.152 where: short stacking energy: -148.757 Base-Backbone interact. energy: 0.542 local terms energy: -434.253744 where: bonds (distance) C4'-P energy: -131.504 bonds (distance) P-C4' energy: -151.890 flat angles C4'-P-C4' energy: -125.491 flat angles P-C4'-P energy: -60.249 tors. eta vs tors. theta energy: 34.882 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: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1948.999548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.999548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.999548 (E_RNA) where: Base-Base interactions energy: -1143.933 where: short stacking energy: -628.791 Base-Backbone interact. energy: -0.821 local terms energy: -804.245742 where: bonds (distance) C4'-P energy: -180.176 bonds (distance) P-C4' energy: -158.780 flat angles C4'-P-C4' energy: -182.596 flat angles P-C4'-P energy: -132.131 tors. eta vs tors. theta energy: -150.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1799.273456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.273456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.273456 (E_RNA) where: Base-Base interactions energy: -1029.095 where: short stacking energy: -620.505 Base-Backbone interact. energy: -2.439 local terms energy: -767.739920 where: bonds (distance) C4'-P energy: -158.285 bonds (distance) P-C4' energy: -171.307 flat angles C4'-P-C4' energy: -182.237 flat angles P-C4'-P energy: -100.771 tors. eta vs tors. theta energy: -155.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1567.165603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.165603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.165603 (E_RNA) where: Base-Base interactions energy: -855.015 where: short stacking energy: -513.971 Base-Backbone interact. energy: 1.094 local terms energy: -713.245035 where: bonds (distance) C4'-P energy: -156.929 bonds (distance) P-C4' energy: -162.553 flat angles C4'-P-C4' energy: -169.699 flat angles P-C4'-P energy: -99.219 tors. eta vs tors. theta energy: -124.845 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: 7 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1511.925025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.925025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.925025 (E_RNA) where: Base-Base interactions energy: -885.820 where: short stacking energy: -470.018 Base-Backbone interact. energy: 0.513 local terms energy: -626.618145 where: bonds (distance) C4'-P energy: -154.174 bonds (distance) P-C4' energy: -152.977 flat angles C4'-P-C4' energy: -142.940 flat angles P-C4'-P energy: -88.920 tors. eta vs tors. theta energy: -87.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1311.774102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.774102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.774102 (E_RNA) where: Base-Base interactions energy: -661.581 where: short stacking energy: -390.291 Base-Backbone interact. energy: -4.031 local terms energy: -646.161662 where: bonds (distance) C4'-P energy: -155.740 bonds (distance) P-C4' energy: -162.801 flat angles C4'-P-C4' energy: -146.004 flat angles P-C4'-P energy: -90.519 tors. eta vs tors. theta energy: -91.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1283.615518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.615518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.615518 (E_RNA) where: Base-Base interactions energy: -714.344 where: short stacking energy: -357.607 Base-Backbone interact. energy: 2.005 local terms energy: -571.276781 where: bonds (distance) C4'-P energy: -119.541 bonds (distance) P-C4' energy: -150.270 flat angles C4'-P-C4' energy: -146.673 flat angles P-C4'-P energy: -99.736 tors. eta vs tors. theta energy: -55.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -982.110619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.110619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.110619 (E_RNA) where: Base-Base interactions energy: -432.992 where: short stacking energy: -291.444 Base-Backbone interact. energy: -2.006 local terms energy: -547.113362 where: bonds (distance) C4'-P energy: -139.781 bonds (distance) P-C4' energy: -162.961 flat angles C4'-P-C4' energy: -139.580 flat angles P-C4'-P energy: -78.911 tors. eta vs tors. theta energy: -25.880 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: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -825.134477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.134477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.134477 (E_RNA) where: Base-Base interactions energy: -343.918 where: short stacking energy: -267.767 Base-Backbone interact. energy: -2.083 local terms energy: -479.132643 where: bonds (distance) C4'-P energy: -139.959 bonds (distance) P-C4' energy: -131.392 flat angles C4'-P-C4' energy: -121.854 flat angles P-C4'-P energy: -68.886 tors. eta vs tors. theta energy: -17.042 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: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -722.214952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.214952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.214952 (E_RNA) where: Base-Base interactions energy: -269.525 where: short stacking energy: -210.551 Base-Backbone interact. energy: 3.712 local terms energy: -456.402273 where: bonds (distance) C4'-P energy: -119.776 bonds (distance) P-C4' energy: -157.726 flat angles C4'-P-C4' energy: -123.692 flat angles P-C4'-P energy: -65.534 tors. eta vs tors. theta energy: 10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -611.367358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.367358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.367358 (E_RNA) where: Base-Base interactions energy: -203.255 where: short stacking energy: -167.798 Base-Backbone interact. energy: -0.906 local terms energy: -407.206806 where: bonds (distance) C4'-P energy: -150.648 bonds (distance) P-C4' energy: -154.237 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -30.582 tors. eta vs tors. theta energy: 30.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1960.415084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.415084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.415084 (E_RNA) where: Base-Base interactions energy: -1169.463 where: short stacking energy: -643.710 Base-Backbone interact. energy: 3.593 local terms energy: -794.544563 where: bonds (distance) C4'-P energy: -174.463 bonds (distance) P-C4' energy: -167.814 flat angles C4'-P-C4' energy: -180.006 flat angles P-C4'-P energy: -113.609 tors. eta vs tors. theta energy: -158.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1777.095564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.095564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.095564 (E_RNA) where: Base-Base interactions energy: -1007.151 where: short stacking energy: -580.070 Base-Backbone interact. energy: -1.359 local terms energy: -768.585611 where: bonds (distance) C4'-P energy: -174.564 bonds (distance) P-C4' energy: -164.555 flat angles C4'-P-C4' energy: -174.073 flat angles P-C4'-P energy: -102.592 tors. eta vs tors. theta energy: -152.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1676.657376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.657376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.657376 (E_RNA) where: Base-Base interactions energy: -958.935 where: short stacking energy: -521.302 Base-Backbone interact. energy: -2.488 local terms energy: -715.234887 where: bonds (distance) C4'-P energy: -175.800 bonds (distance) P-C4' energy: -142.990 flat angles C4'-P-C4' energy: -163.762 flat angles P-C4'-P energy: -106.319 tors. eta vs tors. theta energy: -126.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1638.021343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.021343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.021343 (E_RNA) where: Base-Base interactions energy: -960.999 where: short stacking energy: -517.210 Base-Backbone interact. energy: -3.034 local terms energy: -673.988427 where: bonds (distance) C4'-P energy: -151.209 bonds (distance) P-C4' energy: -168.465 flat angles C4'-P-C4' energy: -165.699 flat angles P-C4'-P energy: -85.684 tors. eta vs tors. theta energy: -102.932 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: 9 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1542.350273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.350273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.350273 (E_RNA) where: Base-Base interactions energy: -901.820 where: short stacking energy: -440.102 Base-Backbone interact. energy: -1.314 local terms energy: -639.216380 where: bonds (distance) C4'-P energy: -161.288 bonds (distance) P-C4' energy: -156.652 flat angles C4'-P-C4' energy: -149.490 flat angles P-C4'-P energy: -94.391 tors. eta vs tors. theta energy: -77.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1184.030544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.030544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.030544 (E_RNA) where: Base-Base interactions energy: -593.385 where: short stacking energy: -347.269 Base-Backbone interact. energy: 0.272 local terms energy: -590.918053 where: bonds (distance) C4'-P energy: -141.918 bonds (distance) P-C4' energy: -138.881 flat angles C4'-P-C4' energy: -148.774 flat angles P-C4'-P energy: -105.209 tors. eta vs tors. theta energy: -56.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -976.219056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.219056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.219056 (E_RNA) where: Base-Base interactions energy: -451.259 where: short stacking energy: -287.101 Base-Backbone interact. energy: 10.218 local terms energy: -535.177942 where: bonds (distance) C4'-P energy: -150.640 bonds (distance) P-C4' energy: -163.642 flat angles C4'-P-C4' energy: -115.249 flat angles P-C4'-P energy: -77.160 tors. eta vs tors. theta energy: -28.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -788.154100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.154100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.154100 (E_RNA) where: Base-Base interactions energy: -323.013 where: short stacking energy: -232.416 Base-Backbone interact. energy: 3.397 local terms energy: -468.538220 where: bonds (distance) C4'-P energy: -129.349 bonds (distance) P-C4' energy: -140.266 flat angles C4'-P-C4' energy: -121.750 flat angles P-C4'-P energy: -70.588 tors. eta vs tors. theta energy: -6.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -696.365601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.365601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.365601 (E_RNA) where: Base-Base interactions energy: -244.254 where: short stacking energy: -186.350 Base-Backbone interact. energy: -0.675 local terms energy: -451.436626 where: bonds (distance) C4'-P energy: -130.854 bonds (distance) P-C4' energy: -147.459 flat angles C4'-P-C4' energy: -124.912 flat angles P-C4'-P energy: -68.470 tors. eta vs tors. theta energy: 20.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -611.124822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.124822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.124822 (E_RNA) where: Base-Base interactions energy: -203.812 where: short stacking energy: -166.859 Base-Backbone interact. energy: -1.601 local terms energy: -405.711381 where: bonds (distance) C4'-P energy: -131.499 bonds (distance) P-C4' energy: -138.356 flat angles C4'-P-C4' energy: -99.292 flat angles P-C4'-P energy: -71.579 tors. eta vs tors. theta energy: 35.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2022.462066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.462066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.462066 (E_RNA) where: Base-Base interactions energy: -1236.604 where: short stacking energy: -641.400 Base-Backbone interact. energy: -2.590 local terms energy: -783.268227 where: bonds (distance) C4'-P energy: -167.845 bonds (distance) P-C4' energy: -181.923 flat angles C4'-P-C4' energy: -177.791 flat angles P-C4'-P energy: -104.060 tors. eta vs tors. theta energy: -151.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1797.559176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.559176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.559176 (E_RNA) where: Base-Base interactions energy: -1038.436 where: short stacking energy: -564.482 Base-Backbone interact. energy: 0.676 local terms energy: -759.799153 where: bonds (distance) C4'-P energy: -163.690 bonds (distance) P-C4' energy: -186.424 flat angles C4'-P-C4' energy: -174.025 flat angles P-C4'-P energy: -94.147 tors. eta vs tors. theta energy: -141.513 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: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1729.210334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.210334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.210334 (E_RNA) where: Base-Base interactions energy: -1008.298 where: short stacking energy: -552.765 Base-Backbone interact. energy: 0.292 local terms energy: -721.203830 where: bonds (distance) C4'-P energy: -161.623 bonds (distance) P-C4' energy: -172.633 flat angles C4'-P-C4' energy: -157.139 flat angles P-C4'-P energy: -95.045 tors. eta vs tors. theta energy: -134.764 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: 7 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1717.473074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.473074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.473074 (E_RNA) where: Base-Base interactions energy: -1030.956 where: short stacking energy: -491.980 Base-Backbone interact. energy: -0.195 local terms energy: -686.322673 where: bonds (distance) C4'-P energy: -140.671 bonds (distance) P-C4' energy: -171.813 flat angles C4'-P-C4' energy: -156.871 flat angles P-C4'-P energy: -106.284 tors. eta vs tors. theta energy: -110.684 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: 9 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1691.033818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.033818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.033818 (E_RNA) where: Base-Base interactions energy: -1039.852 where: short stacking energy: -495.287 Base-Backbone interact. energy: -3.798 local terms energy: -647.383513 where: bonds (distance) C4'-P energy: -138.110 bonds (distance) P-C4' energy: -153.767 flat angles C4'-P-C4' energy: -163.270 flat angles P-C4'-P energy: -92.784 tors. eta vs tors. theta energy: -99.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1217.040863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.040863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.040863 (E_RNA) where: Base-Base interactions energy: -633.980 where: short stacking energy: -350.388 Base-Backbone interact. energy: 1.028 local terms energy: -584.089623 where: bonds (distance) C4'-P energy: -138.652 bonds (distance) P-C4' energy: -160.660 flat angles C4'-P-C4' energy: -153.846 flat angles P-C4'-P energy: -75.332 tors. eta vs tors. theta energy: -55.600 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: 2 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -952.430465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.430465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.430465 (E_RNA) where: Base-Base interactions energy: -438.098 where: short stacking energy: -292.734 Base-Backbone interact. energy: 3.640 local terms energy: -517.973180 where: bonds (distance) C4'-P energy: -140.214 bonds (distance) P-C4' energy: -142.973 flat angles C4'-P-C4' energy: -129.239 flat angles P-C4'-P energy: -82.111 tors. eta vs tors. theta energy: -23.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -795.142143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.142143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.142143 (E_RNA) where: Base-Base interactions energy: -341.165 where: short stacking energy: -216.276 Base-Backbone interact. energy: 6.342 local terms energy: -460.318686 where: bonds (distance) C4'-P energy: -143.606 bonds (distance) P-C4' energy: -138.738 flat angles C4'-P-C4' energy: -118.740 flat angles P-C4'-P energy: -80.079 tors. eta vs tors. theta energy: 20.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -814.198169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.198169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.198169 (E_RNA) where: Base-Base interactions energy: -353.185 where: short stacking energy: -202.155 Base-Backbone interact. energy: 5.225 local terms energy: -466.237883 where: bonds (distance) C4'-P energy: -144.007 bonds (distance) P-C4' energy: -137.265 flat angles C4'-P-C4' energy: -126.715 flat angles P-C4'-P energy: -78.718 tors. eta vs tors. theta energy: 20.467 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: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -640.149922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.149922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.149922 (E_RNA) where: Base-Base interactions energy: -244.615 where: short stacking energy: -208.121 Base-Backbone interact. energy: 3.541 local terms energy: -399.075767 where: bonds (distance) C4'-P energy: -129.489 bonds (distance) P-C4' energy: -150.135 flat angles C4'-P-C4' energy: -93.245 flat angles P-C4'-P energy: -54.699 tors. eta vs tors. theta energy: 28.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1987.224616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.224616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.224616 (E_RNA) where: Base-Base interactions energy: -1163.711 where: short stacking energy: -638.481 Base-Backbone interact. energy: -5.305 local terms energy: -818.208735 where: bonds (distance) C4'-P energy: -169.823 bonds (distance) P-C4' energy: -188.104 flat angles C4'-P-C4' energy: -182.807 flat angles P-C4'-P energy: -120.605 tors. eta vs tors. theta energy: -156.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1934.611988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.611988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.611988 (E_RNA) where: Base-Base interactions energy: -1151.560 where: short stacking energy: -640.447 Base-Backbone interact. energy: -4.272 local terms energy: -778.780733 where: bonds (distance) C4'-P energy: -154.915 bonds (distance) P-C4' energy: -175.449 flat angles C4'-P-C4' energy: -169.666 flat angles P-C4'-P energy: -113.387 tors. eta vs tors. theta energy: -165.364 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: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1753.858273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.858273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.858273 (E_RNA) where: Base-Base interactions energy: -1017.831 where: short stacking energy: -534.180 Base-Backbone interact. energy: 2.505 local terms energy: -738.532385 where: bonds (distance) C4'-P energy: -157.986 bonds (distance) P-C4' energy: -167.167 flat angles C4'-P-C4' energy: -174.814 flat angles P-C4'-P energy: -105.211 tors. eta vs tors. theta energy: -133.354 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: 7 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1728.752404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.752404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.752404 (E_RNA) where: Base-Base interactions energy: -1062.186 where: short stacking energy: -521.163 Base-Backbone interact. energy: -0.399 local terms energy: -666.166954 where: bonds (distance) C4'-P energy: -148.867 bonds (distance) P-C4' energy: -144.132 flat angles C4'-P-C4' energy: -145.346 flat angles P-C4'-P energy: -107.545 tors. eta vs tors. theta energy: -120.277 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: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1664.753552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.753552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.753552 (E_RNA) where: Base-Base interactions energy: -1002.347 where: short stacking energy: -511.265 Base-Backbone interact. energy: -0.826 local terms energy: -661.580575 where: bonds (distance) C4'-P energy: -153.811 bonds (distance) P-C4' energy: -149.964 flat angles C4'-P-C4' energy: -160.793 flat angles P-C4'-P energy: -96.101 tors. eta vs tors. theta energy: -100.911 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: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1220.274788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.274788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.274788 (E_RNA) where: Base-Base interactions energy: -631.246 where: short stacking energy: -388.793 Base-Backbone interact. energy: -1.558 local terms energy: -587.470730 where: bonds (distance) C4'-P energy: -155.888 bonds (distance) P-C4' energy: -151.024 flat angles C4'-P-C4' energy: -146.514 flat angles P-C4'-P energy: -75.489 tors. eta vs tors. theta energy: -58.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -941.376697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.376697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.376697 (E_RNA) where: Base-Base interactions energy: -402.626 where: short stacking energy: -278.063 Base-Backbone interact. energy: -0.782 local terms energy: -537.968653 where: bonds (distance) C4'-P energy: -151.448 bonds (distance) P-C4' energy: -143.276 flat angles C4'-P-C4' energy: -136.790 flat angles P-C4'-P energy: -100.815 tors. eta vs tors. theta energy: -5.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -866.031694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.031694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.031694 (E_RNA) where: Base-Base interactions energy: -374.168 where: short stacking energy: -242.674 Base-Backbone interact. energy: 3.073 local terms energy: -494.936336 where: bonds (distance) C4'-P energy: -136.397 bonds (distance) P-C4' energy: -154.901 flat angles C4'-P-C4' energy: -121.706 flat angles P-C4'-P energy: -81.062 tors. eta vs tors. theta energy: -0.871 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: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -820.109997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.109997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.109997 (E_RNA) where: Base-Base interactions energy: -396.385 where: short stacking energy: -254.426 Base-Backbone interact. energy: 6.072 local terms energy: -429.797078 where: bonds (distance) C4'-P energy: -112.728 bonds (distance) P-C4' energy: -128.899 flat angles C4'-P-C4' energy: -118.564 flat angles P-C4'-P energy: -68.866 tors. eta vs tors. theta energy: -0.740 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: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -607.456584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.456584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.456584 (E_RNA) where: Base-Base interactions energy: -237.453 where: short stacking energy: -202.810 Base-Backbone interact. energy: 4.416 local terms energy: -374.419906 where: bonds (distance) C4'-P energy: -139.609 bonds (distance) P-C4' energy: -144.113 flat angles C4'-P-C4' energy: -67.093 flat angles P-C4'-P energy: -53.367 tors. eta vs tors. theta energy: 29.762 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: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2020.266180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.266180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.266180 (E_RNA) where: Base-Base interactions energy: -1203.784 where: short stacking energy: -651.537 Base-Backbone interact. energy: -2.911 local terms energy: -813.571467 where: bonds (distance) C4'-P energy: -167.034 bonds (distance) P-C4' energy: -172.456 flat angles C4'-P-C4' energy: -180.561 flat angles P-C4'-P energy: -124.294 tors. eta vs tors. theta energy: -169.226 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: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1936.671212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.671212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.671212 (E_RNA) where: Base-Base interactions energy: -1157.685 where: short stacking energy: -630.601 Base-Backbone interact. energy: -2.541 local terms energy: -776.445176 where: bonds (distance) C4'-P energy: -166.003 bonds (distance) P-C4' energy: -170.113 flat angles C4'-P-C4' energy: -165.103 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -173.478 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: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1744.556567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.556567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.556567 (E_RNA) where: Base-Base interactions energy: -1047.244 where: short stacking energy: -542.632 Base-Backbone interact. energy: -3.508 local terms energy: -693.805113 where: bonds (distance) C4'-P energy: -146.266 bonds (distance) P-C4' energy: -165.179 flat angles C4'-P-C4' energy: -154.285 flat angles P-C4'-P energy: -97.257 tors. eta vs tors. theta energy: -130.817 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: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1802.549535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.549535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.549535 (E_RNA) where: Base-Base interactions energy: -1086.160 where: short stacking energy: -561.947 Base-Backbone interact. energy: -2.907 local terms energy: -713.483257 where: bonds (distance) C4'-P energy: -166.107 bonds (distance) P-C4' energy: -157.701 flat angles C4'-P-C4' energy: -161.754 flat angles P-C4'-P energy: -107.915 tors. eta vs tors. theta energy: -120.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1650.030121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.030121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.030121 (E_RNA) where: Base-Base interactions energy: -1010.605 where: short stacking energy: -478.215 Base-Backbone interact. energy: 3.051 local terms energy: -642.475820 where: bonds (distance) C4'-P energy: -137.542 bonds (distance) P-C4' energy: -152.921 flat angles C4'-P-C4' energy: -154.382 flat angles P-C4'-P energy: -89.826 tors. eta vs tors. theta energy: -107.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1236.630888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.630888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.630888 (E_RNA) where: Base-Base interactions energy: -650.389 where: short stacking energy: -398.523 Base-Backbone interact. energy: -1.302 local terms energy: -584.939451 where: bonds (distance) C4'-P energy: -121.784 bonds (distance) P-C4' energy: -157.983 flat angles C4'-P-C4' energy: -147.708 flat angles P-C4'-P energy: -76.790 tors. eta vs tors. theta energy: -80.674 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: 2 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -957.870329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.870329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.870329 (E_RNA) where: Base-Base interactions energy: -439.105 where: short stacking energy: -315.004 Base-Backbone interact. energy: -1.771 local terms energy: -516.994761 where: bonds (distance) C4'-P energy: -146.831 bonds (distance) P-C4' energy: -132.230 flat angles C4'-P-C4' energy: -150.612 flat angles P-C4'-P energy: -76.811 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: 8, replica: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -927.040029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.040029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.040029 (E_RNA) where: Base-Base interactions energy: -461.502 where: short stacking energy: -278.895 Base-Backbone interact. energy: 3.212 local terms energy: -468.750418 where: bonds (distance) C4'-P energy: -141.814 bonds (distance) P-C4' energy: -141.776 flat angles C4'-P-C4' energy: -120.492 flat angles P-C4'-P energy: -52.177 tors. eta vs tors. theta energy: -12.492 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: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -822.301350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.301350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.301350 (E_RNA) where: Base-Base interactions energy: -355.101 where: short stacking energy: -225.498 Base-Backbone interact. energy: 0.569 local terms energy: -467.768836 where: bonds (distance) C4'-P energy: -136.452 bonds (distance) P-C4' energy: -147.071 flat angles C4'-P-C4' energy: -122.266 flat angles P-C4'-P energy: -84.131 tors. eta vs tors. theta energy: 22.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -598.306539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.306539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.306539 (E_RNA) where: Base-Base interactions energy: -177.209 where: short stacking energy: -159.411 Base-Backbone interact. energy: -0.662 local terms energy: -420.435961 where: bonds (distance) C4'-P energy: -124.976 bonds (distance) P-C4' energy: -144.983 flat angles C4'-P-C4' energy: -99.309 flat angles P-C4'-P energy: -86.242 tors. eta vs tors. theta energy: 35.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2062.461173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.461173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.461173 (E_RNA) where: Base-Base interactions energy: -1219.970 where: short stacking energy: -687.906 Base-Backbone interact. energy: -1.469 local terms energy: -841.022416 where: bonds (distance) C4'-P energy: -163.785 bonds (distance) P-C4' energy: -170.682 flat angles C4'-P-C4' energy: -180.978 flat angles P-C4'-P energy: -134.114 tors. eta vs tors. theta energy: -191.465 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: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1902.016922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.016922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.016922 (E_RNA) where: Base-Base interactions energy: -1124.705 where: short stacking energy: -597.500 Base-Backbone interact. energy: -2.764 local terms energy: -774.547889 where: bonds (distance) C4'-P energy: -146.553 bonds (distance) P-C4' energy: -175.209 flat angles C4'-P-C4' energy: -191.831 flat angles P-C4'-P energy: -114.381 tors. eta vs tors. theta energy: -146.573 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: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1947.569103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.569103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.569103 (E_RNA) where: Base-Base interactions energy: -1216.800 where: short stacking energy: -604.402 Base-Backbone interact. energy: 3.260 local terms energy: -734.028855 where: bonds (distance) C4'-P energy: -157.688 bonds (distance) P-C4' energy: -140.422 flat angles C4'-P-C4' energy: -170.561 flat angles P-C4'-P energy: -107.098 tors. eta vs tors. theta energy: -158.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1666.881732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.881732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.881732 (E_RNA) where: Base-Base interactions energy: -963.339 where: short stacking energy: -510.898 Base-Backbone interact. energy: -4.183 local terms energy: -699.359891 where: bonds (distance) C4'-P energy: -158.766 bonds (distance) P-C4' energy: -168.539 flat angles C4'-P-C4' energy: -159.780 flat angles P-C4'-P energy: -98.377 tors. eta vs tors. theta energy: -113.898 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: 5, replica: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1679.216431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.216431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.216431 (E_RNA) where: Base-Base interactions energy: -1024.738 where: short stacking energy: -494.515 Base-Backbone interact. energy: -5.764 local terms energy: -648.714405 where: bonds (distance) C4'-P energy: -147.015 bonds (distance) P-C4' energy: -149.614 flat angles C4'-P-C4' energy: -151.412 flat angles P-C4'-P energy: -98.014 tors. eta vs tors. theta energy: -102.660 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: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1248.296961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.296961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.296961 (E_RNA) where: Base-Base interactions energy: -688.311 where: short stacking energy: -385.353 Base-Backbone interact. energy: 1.792 local terms energy: -561.778161 where: bonds (distance) C4'-P energy: -150.470 bonds (distance) P-C4' energy: -145.192 flat angles C4'-P-C4' energy: -140.967 flat angles P-C4'-P energy: -83.000 tors. eta vs tors. theta energy: -42.149 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: 7, replica: 2 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -930.198772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.198772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.198772 (E_RNA) where: Base-Base interactions energy: -429.745 where: short stacking energy: -266.227 Base-Backbone interact. energy: -4.796 local terms energy: -495.658377 where: bonds (distance) C4'-P energy: -144.863 bonds (distance) P-C4' energy: -153.540 flat angles C4'-P-C4' energy: -122.806 flat angles P-C4'-P energy: -82.738 tors. eta vs tors. theta energy: 8.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -974.527851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.527851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.527851 (E_RNA) where: Base-Base interactions energy: -478.564 where: short stacking energy: -292.202 Base-Backbone interact. energy: 0.453 local terms energy: -496.417333 where: bonds (distance) C4'-P energy: -155.176 bonds (distance) P-C4' energy: -137.193 flat angles C4'-P-C4' energy: -119.690 flat angles P-C4'-P energy: -74.489 tors. eta vs tors. theta energy: -9.868 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: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -809.918847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.918847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.918847 (E_RNA) where: Base-Base interactions energy: -368.142 where: short stacking energy: -269.615 Base-Backbone interact. energy: -2.623 local terms energy: -439.154061 where: bonds (distance) C4'-P energy: -132.355 bonds (distance) P-C4' energy: -138.801 flat angles C4'-P-C4' energy: -103.624 flat angles P-C4'-P energy: -58.924 tors. eta vs tors. theta energy: -5.450 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -626.111302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.111302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.111302 (E_RNA) where: Base-Base interactions energy: -208.615 where: short stacking energy: -175.910 Base-Backbone interact. energy: 7.215 local terms energy: -424.711514 where: bonds (distance) C4'-P energy: -124.589 bonds (distance) P-C4' energy: -147.145 flat angles C4'-P-C4' energy: -110.287 flat angles P-C4'-P energy: -93.416 tors. eta vs tors. theta energy: 50.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2011.446458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.446458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.446458 (E_RNA) where: Base-Base interactions energy: -1213.841 where: short stacking energy: -675.690 Base-Backbone interact. energy: -0.547 local terms energy: -797.058407 where: bonds (distance) C4'-P energy: -178.215 bonds (distance) P-C4' energy: -172.184 flat angles C4'-P-C4' energy: -162.561 flat angles P-C4'-P energy: -106.393 tors. eta vs tors. theta energy: -177.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2081.877674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.877674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.877674 (E_RNA) where: Base-Base interactions energy: -1294.740 where: short stacking energy: -657.226 Base-Backbone interact. energy: -0.579 local terms energy: -786.557948 where: bonds (distance) C4'-P energy: -161.525 bonds (distance) P-C4' energy: -162.670 flat angles C4'-P-C4' energy: -179.248 flat angles P-C4'-P energy: -117.717 tors. eta vs tors. theta energy: -165.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1850.012857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.012857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.012857 (E_RNA) where: Base-Base interactions energy: -1103.271 where: short stacking energy: -612.726 Base-Backbone interact. energy: -1.806 local terms energy: -744.936275 where: bonds (distance) C4'-P energy: -158.524 bonds (distance) P-C4' energy: -156.615 flat angles C4'-P-C4' energy: -156.597 flat angles P-C4'-P energy: -115.001 tors. eta vs tors. theta energy: -158.199 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: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1816.989129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.989129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.989129 (E_RNA) where: Base-Base interactions energy: -1121.075 where: short stacking energy: -511.933 Base-Backbone interact. energy: 0.213 local terms energy: -696.127901 where: bonds (distance) C4'-P energy: -154.024 bonds (distance) P-C4' energy: -170.411 flat angles C4'-P-C4' energy: -147.413 flat angles P-C4'-P energy: -105.719 tors. eta vs tors. theta energy: -118.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1583.386875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.386875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.386875 (E_RNA) where: Base-Base interactions energy: -927.196 where: short stacking energy: -466.417 Base-Backbone interact. energy: 3.778 local terms energy: -659.968497 where: bonds (distance) C4'-P energy: -134.948 bonds (distance) P-C4' energy: -166.674 flat angles C4'-P-C4' energy: -154.338 flat angles P-C4'-P energy: -95.431 tors. eta vs tors. theta energy: -108.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1289.814783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.814783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.814783 (E_RNA) where: Base-Base interactions energy: -702.053 where: short stacking energy: -367.912 Base-Backbone interact. energy: 0.077 local terms energy: -587.838831 where: bonds (distance) C4'-P energy: -151.266 bonds (distance) P-C4' energy: -154.552 flat angles C4'-P-C4' energy: -140.436 flat angles P-C4'-P energy: -86.266 tors. eta vs tors. theta energy: -55.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1014.164122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.164122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.164122 (E_RNA) where: Base-Base interactions energy: -496.858 where: short stacking energy: -337.309 Base-Backbone interact. energy: 3.619 local terms energy: -520.924779 where: bonds (distance) C4'-P energy: -114.544 bonds (distance) P-C4' energy: -153.793 flat angles C4'-P-C4' energy: -139.631 flat angles P-C4'-P energy: -71.689 tors. eta vs tors. theta energy: -41.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -983.590062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.590062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.590062 (E_RNA) where: Base-Base interactions energy: -513.539 where: short stacking energy: -323.053 Base-Backbone interact. energy: 5.558 local terms energy: -475.608705 where: bonds (distance) C4'-P energy: -138.404 bonds (distance) P-C4' energy: -137.922 flat angles C4'-P-C4' energy: -108.037 flat angles P-C4'-P energy: -78.564 tors. eta vs tors. theta energy: -12.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -731.116681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.116681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.116681 (E_RNA) where: Base-Base interactions energy: -301.149 where: short stacking energy: -211.654 Base-Backbone interact. energy: -2.421 local terms energy: -427.546791 where: bonds (distance) C4'-P energy: -124.629 bonds (distance) P-C4' energy: -139.321 flat angles C4'-P-C4' energy: -122.207 flat angles P-C4'-P energy: -63.065 tors. eta vs tors. theta energy: 21.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -683.930498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.930498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.930498 (E_RNA) where: Base-Base interactions energy: -247.337 where: short stacking energy: -204.073 Base-Backbone interact. energy: -0.724 local terms energy: -435.869909 where: bonds (distance) C4'-P energy: -129.393 bonds (distance) P-C4' energy: -136.481 flat angles C4'-P-C4' energy: -135.019 flat angles P-C4'-P energy: -65.495 tors. eta vs tors. theta energy: 30.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2222.965937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.965937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.965937 (E_RNA) where: Base-Base interactions energy: -1376.254 where: short stacking energy: -698.048 Base-Backbone interact. energy: -6.423 local terms energy: -840.288935 where: bonds (distance) C4'-P energy: -183.800 bonds (distance) P-C4' energy: -179.931 flat angles C4'-P-C4' energy: -173.116 flat angles P-C4'-P energy: -120.627 tors. eta vs tors. theta energy: -182.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1943.074358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.074358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.074358 (E_RNA) where: Base-Base interactions energy: -1192.430 where: short stacking energy: -615.033 Base-Backbone interact. energy: 0.921 local terms energy: -751.565318 where: bonds (distance) C4'-P energy: -163.973 bonds (distance) P-C4' energy: -166.695 flat angles C4'-P-C4' energy: -164.833 flat angles P-C4'-P energy: -105.440 tors. eta vs tors. theta energy: -150.624 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: 3, replica: 7 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1907.563315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.563315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.563315 (E_RNA) where: Base-Base interactions energy: -1191.858 where: short stacking energy: -564.917 Base-Backbone interact. energy: 0.328 local terms energy: -716.033891 where: bonds (distance) C4'-P energy: -152.620 bonds (distance) P-C4' energy: -161.274 flat angles C4'-P-C4' energy: -176.176 flat angles P-C4'-P energy: -100.144 tors. eta vs tors. theta energy: -125.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1815.155720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.155720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.155720 (E_RNA) where: Base-Base interactions energy: -1110.563 where: short stacking energy: -560.979 Base-Backbone interact. energy: 6.372 local terms energy: -710.965326 where: bonds (distance) C4'-P energy: -150.020 bonds (distance) P-C4' energy: -165.536 flat angles C4'-P-C4' energy: -154.739 flat angles P-C4'-P energy: -104.668 tors. eta vs tors. theta energy: -136.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1558.225406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.225406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.225406 (E_RNA) where: Base-Base interactions energy: -857.726 where: short stacking energy: -450.113 Base-Backbone interact. energy: -1.721 local terms energy: -698.778520 where: bonds (distance) C4'-P energy: -160.185 bonds (distance) P-C4' energy: -158.491 flat angles C4'-P-C4' energy: -157.608 flat angles P-C4'-P energy: -120.054 tors. eta vs tors. theta energy: -102.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1288.888778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.888778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.888778 (E_RNA) where: Base-Base interactions energy: -739.080 where: short stacking energy: -401.475 Base-Backbone interact. energy: 5.053 local terms energy: -554.861538 where: bonds (distance) C4'-P energy: -138.126 bonds (distance) P-C4' energy: -156.663 flat angles C4'-P-C4' energy: -122.377 flat angles P-C4'-P energy: -68.134 tors. eta vs tors. theta energy: -69.562 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: 5 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1006.366390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.366390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.366390 (E_RNA) where: Base-Base interactions energy: -491.044 where: short stacking energy: -302.676 Base-Backbone interact. energy: 1.635 local terms energy: -516.957124 where: bonds (distance) C4'-P energy: -132.307 bonds (distance) P-C4' energy: -142.919 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -85.875 tors. eta vs tors. theta energy: -17.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -914.238012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.238012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.238012 (E_RNA) where: Base-Base interactions energy: -406.366 where: short stacking energy: -269.825 Base-Backbone interact. energy: -0.543 local terms energy: -507.329602 where: bonds (distance) C4'-P energy: -128.654 bonds (distance) P-C4' energy: -155.334 flat angles C4'-P-C4' energy: -144.423 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -14.788 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: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -763.765358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.765358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.765358 (E_RNA) where: Base-Base interactions energy: -369.187 where: short stacking energy: -240.786 Base-Backbone interact. energy: 2.847 local terms energy: -397.425091 where: bonds (distance) C4'-P energy: -123.217 bonds (distance) P-C4' energy: -121.120 flat angles C4'-P-C4' energy: -88.542 flat angles P-C4'-P energy: -69.711 tors. eta vs tors. theta energy: 5.166 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: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -718.561142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.561142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.561142 (E_RNA) where: Base-Base interactions energy: -285.920 where: short stacking energy: -199.710 Base-Backbone interact. energy: -2.454 local terms energy: -430.187677 where: bonds (distance) C4'-P energy: -117.466 bonds (distance) P-C4' energy: -136.697 flat angles C4'-P-C4' energy: -133.704 flat angles P-C4'-P energy: -58.556 tors. eta vs tors. theta energy: 16.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2284.823694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.823694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.823694 (E_RNA) where: Base-Base interactions energy: -1469.038 where: short stacking energy: -701.261 Base-Backbone interact. energy: -3.268 local terms energy: -812.517922 where: bonds (distance) C4'-P energy: -171.239 bonds (distance) P-C4' energy: -167.505 flat angles C4'-P-C4' energy: -181.980 flat angles P-C4'-P energy: -101.253 tors. eta vs tors. theta energy: -190.541 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: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1980.810828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.810828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.810828 (E_RNA) where: Base-Base interactions energy: -1204.321 where: short stacking energy: -603.046 Base-Backbone interact. energy: 0.737 local terms energy: -777.227024 where: bonds (distance) C4'-P energy: -153.342 bonds (distance) P-C4' energy: -176.383 flat angles C4'-P-C4' energy: -175.956 flat angles P-C4'-P energy: -111.910 tors. eta vs tors. theta energy: -159.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2049.673599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.673599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.673599 (E_RNA) where: Base-Base interactions energy: -1274.337 where: short stacking energy: -591.318 Base-Backbone interact. energy: -2.223 local terms energy: -773.113994 where: bonds (distance) C4'-P energy: -144.440 bonds (distance) P-C4' energy: -163.645 flat angles C4'-P-C4' energy: -176.384 flat angles P-C4'-P energy: -131.434 tors. eta vs tors. theta energy: -157.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1725.137402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.137402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.137402 (E_RNA) where: Base-Base interactions energy: -1029.905 where: short stacking energy: -533.539 Base-Backbone interact. energy: -2.456 local terms energy: -692.776294 where: bonds (distance) C4'-P energy: -161.233 bonds (distance) P-C4' energy: -163.983 flat angles C4'-P-C4' energy: -157.157 flat angles P-C4'-P energy: -103.813 tors. eta vs tors. theta energy: -106.589 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: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1532.452148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.452148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.452148 (E_RNA) where: Base-Base interactions energy: -902.535 where: short stacking energy: -465.389 Base-Backbone interact. energy: -1.237 local terms energy: -628.679923 where: bonds (distance) C4'-P energy: -147.219 bonds (distance) P-C4' energy: -142.670 flat angles C4'-P-C4' energy: -158.621 flat angles P-C4'-P energy: -85.025 tors. eta vs tors. theta energy: -95.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1316.868853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.868853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.868853 (E_RNA) where: Base-Base interactions energy: -737.616 where: short stacking energy: -362.397 Base-Backbone interact. energy: 2.318 local terms energy: -581.571235 where: bonds (distance) C4'-P energy: -144.532 bonds (distance) P-C4' energy: -154.072 flat angles C4'-P-C4' energy: -126.158 flat angles P-C4'-P energy: -90.812 tors. eta vs tors. theta energy: -65.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1047.688180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.688180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.688180 (E_RNA) where: Base-Base interactions energy: -533.258 where: short stacking energy: -322.086 Base-Backbone interact. energy: -0.286 local terms energy: -514.144739 where: bonds (distance) C4'-P energy: -124.475 bonds (distance) P-C4' energy: -137.896 flat angles C4'-P-C4' energy: -137.202 flat angles P-C4'-P energy: -75.694 tors. eta vs tors. theta energy: -38.877 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: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -920.057331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.057331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.057331 (E_RNA) where: Base-Base interactions energy: -434.450 where: short stacking energy: -260.935 Base-Backbone interact. energy: -0.620 local terms energy: -484.987465 where: bonds (distance) C4'-P energy: -126.322 bonds (distance) P-C4' energy: -123.152 flat angles C4'-P-C4' energy: -143.731 flat angles P-C4'-P energy: -81.762 tors. eta vs tors. theta energy: -10.022 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: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -775.743037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.743037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.743037 (E_RNA) where: Base-Base interactions energy: -317.318 where: short stacking energy: -229.154 Base-Backbone interact. energy: 2.479 local terms energy: -460.903510 where: bonds (distance) C4'-P energy: -134.223 bonds (distance) P-C4' energy: -139.830 flat angles C4'-P-C4' energy: -129.559 flat angles P-C4'-P energy: -60.296 tors. eta vs tors. theta energy: 3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -682.956932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.956932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.956932 (E_RNA) where: Base-Base interactions energy: -268.921 where: short stacking energy: -175.489 Base-Backbone interact. energy: 9.497 local terms energy: -423.532836 where: bonds (distance) C4'-P energy: -138.750 bonds (distance) P-C4' energy: -141.509 flat angles C4'-P-C4' energy: -113.980 flat angles P-C4'-P energy: -74.289 tors. eta vs tors. theta energy: 44.996 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: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2372.856320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.856320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.856320 (E_RNA) where: Base-Base interactions energy: -1514.437 where: short stacking energy: -717.348 Base-Backbone interact. energy: -3.106 local terms energy: -855.312843 where: bonds (distance) C4'-P energy: -162.019 bonds (distance) P-C4' energy: -184.505 flat angles C4'-P-C4' energy: -184.765 flat angles P-C4'-P energy: -123.292 tors. eta vs tors. theta energy: -200.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2042.622260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.622260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.622260 (E_RNA) where: Base-Base interactions energy: -1228.831 where: short stacking energy: -651.888 Base-Backbone interact. energy: -0.301 local terms energy: -813.490044 where: bonds (distance) C4'-P energy: -169.922 bonds (distance) P-C4' energy: -169.415 flat angles C4'-P-C4' energy: -177.001 flat angles P-C4'-P energy: -119.979 tors. eta vs tors. theta energy: -177.173 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: 7 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2035.557788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.557788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.557788 (E_RNA) where: Base-Base interactions energy: -1286.694 where: short stacking energy: -608.660 Base-Backbone interact. energy: -2.265 local terms energy: -746.599013 where: bonds (distance) C4'-P energy: -147.773 bonds (distance) P-C4' energy: -161.066 flat angles C4'-P-C4' energy: -170.069 flat angles P-C4'-P energy: -99.555 tors. eta vs tors. theta energy: -168.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1698.583518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.583518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.583518 (E_RNA) where: Base-Base interactions energy: -968.994 where: short stacking energy: -538.034 Base-Backbone interact. energy: -0.045 local terms energy: -729.544741 where: bonds (distance) C4'-P energy: -152.268 bonds (distance) P-C4' energy: -151.632 flat angles C4'-P-C4' energy: -184.058 flat angles P-C4'-P energy: -103.815 tors. eta vs tors. theta energy: -137.772 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: 26 Temperature: 1.100000 Total energy: -1618.876399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.876399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.876399 (E_RNA) where: Base-Base interactions energy: -932.571 where: short stacking energy: -489.039 Base-Backbone interact. energy: 0.629 local terms energy: -686.933988 where: bonds (distance) C4'-P energy: -146.960 bonds (distance) P-C4' energy: -154.842 flat angles C4'-P-C4' energy: -164.002 flat angles P-C4'-P energy: -113.806 tors. eta vs tors. theta energy: -107.324 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: 1 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1344.973372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.973372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.973372 (E_RNA) where: Base-Base interactions energy: -766.898 where: short stacking energy: -436.196 Base-Backbone interact. energy: -4.062 local terms energy: -574.013803 where: bonds (distance) C4'-P energy: -131.445 bonds (distance) P-C4' energy: -129.922 flat angles C4'-P-C4' energy: -142.101 flat angles P-C4'-P energy: -90.634 tors. eta vs tors. theta energy: -79.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1008.964607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.964607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.964607 (E_RNA) where: Base-Base interactions energy: -523.712 where: short stacking energy: -321.437 Base-Backbone interact. energy: 1.955 local terms energy: -487.206978 where: bonds (distance) C4'-P energy: -131.312 bonds (distance) P-C4' energy: -141.071 flat angles C4'-P-C4' energy: -119.549 flat angles P-C4'-P energy: -72.419 tors. eta vs tors. theta energy: -22.857 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: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -894.725027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.725027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.725027 (E_RNA) where: Base-Base interactions energy: -398.275 where: short stacking energy: -245.505 Base-Backbone interact. energy: 0.150 local terms energy: -496.600335 where: bonds (distance) C4'-P energy: -132.320 bonds (distance) P-C4' energy: -161.839 flat angles C4'-P-C4' energy: -107.965 flat angles P-C4'-P energy: -88.563 tors. eta vs tors. theta energy: -5.914 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: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -690.151711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.151711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.151711 (E_RNA) where: Base-Base interactions energy: -238.651 where: short stacking energy: -197.136 Base-Backbone interact. energy: -0.273 local terms energy: -451.226906 where: bonds (distance) C4'-P energy: -123.214 bonds (distance) P-C4' energy: -168.190 flat angles C4'-P-C4' energy: -120.363 flat angles P-C4'-P energy: -68.645 tors. eta vs tors. theta energy: 29.185 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: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -661.546578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.546578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.546578 (E_RNA) where: Base-Base interactions energy: -245.179 where: short stacking energy: -183.502 Base-Backbone interact. energy: -2.994 local terms energy: -413.373081 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -140.160 flat angles C4'-P-C4' energy: -118.662 flat angles P-C4'-P energy: -65.526 tors. eta vs tors. theta energy: 28.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2342.918353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.918353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.918353 (E_RNA) where: Base-Base interactions energy: -1515.995 where: short stacking energy: -708.593 Base-Backbone interact. energy: 0.326 local terms energy: -827.248987 where: bonds (distance) C4'-P energy: -173.173 bonds (distance) P-C4' energy: -157.304 flat angles C4'-P-C4' energy: -178.164 flat angles P-C4'-P energy: -131.285 tors. eta vs tors. theta energy: -187.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2024.488336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.488336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.488336 (E_RNA) where: Base-Base interactions energy: -1239.392 where: short stacking energy: -641.203 Base-Backbone interact. energy: -1.606 local terms energy: -783.490180 where: bonds (distance) C4'-P energy: -173.323 bonds (distance) P-C4' energy: -151.019 flat angles C4'-P-C4' energy: -163.179 flat angles P-C4'-P energy: -114.640 tors. eta vs tors. theta energy: -181.330 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: 7 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2022.732591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.732591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.732591 (E_RNA) where: Base-Base interactions energy: -1275.777 where: short stacking energy: -617.564 Base-Backbone interact. energy: 5.895 local terms energy: -752.850580 where: bonds (distance) C4'-P energy: -159.030 bonds (distance) P-C4' energy: -172.436 flat angles C4'-P-C4' energy: -171.443 flat angles P-C4'-P energy: -102.683 tors. eta vs tors. theta energy: -147.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1751.409796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.409796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.409796 (E_RNA) where: Base-Base interactions energy: -1064.343 where: short stacking energy: -571.041 Base-Backbone interact. energy: -1.286 local terms energy: -685.780612 where: bonds (distance) C4'-P energy: -126.131 bonds (distance) P-C4' energy: -175.903 flat angles C4'-P-C4' energy: -154.857 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: -144.117 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: 27 Temperature: 1.100000 Total energy: -1528.231323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.231323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.231323 (E_RNA) where: Base-Base interactions energy: -900.255 where: short stacking energy: -474.849 Base-Backbone interact. energy: -0.570 local terms energy: -627.406579 where: bonds (distance) C4'-P energy: -139.517 bonds (distance) P-C4' energy: -161.934 flat angles C4'-P-C4' energy: -151.273 flat angles P-C4'-P energy: -79.747 tors. eta vs tors. theta energy: -94.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1402.513418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.513418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.513418 (E_RNA) where: Base-Base interactions energy: -783.146 where: short stacking energy: -420.693 Base-Backbone interact. energy: 2.055 local terms energy: -621.422206 where: bonds (distance) C4'-P energy: -131.189 bonds (distance) P-C4' energy: -151.251 flat angles C4'-P-C4' energy: -157.810 flat angles P-C4'-P energy: -88.247 tors. eta vs tors. theta energy: -92.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1065.179335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.179335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.179335 (E_RNA) where: Base-Base interactions energy: -502.392 where: short stacking energy: -299.693 Base-Backbone interact. energy: -1.798 local terms energy: -560.988835 where: bonds (distance) C4'-P energy: -129.264 bonds (distance) P-C4' energy: -165.134 flat angles C4'-P-C4' energy: -126.681 flat angles P-C4'-P energy: -93.885 tors. eta vs tors. theta energy: -46.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -978.455008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.455008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.455008 (E_RNA) where: Base-Base interactions energy: -477.465 where: short stacking energy: -262.859 Base-Backbone interact. energy: -2.524 local terms energy: -498.466374 where: bonds (distance) C4'-P energy: -149.598 bonds (distance) P-C4' energy: -135.074 flat angles C4'-P-C4' energy: -138.390 flat angles P-C4'-P energy: -66.924 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: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -661.589472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.589472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.589472 (E_RNA) where: Base-Base interactions energy: -201.426 where: short stacking energy: -181.110 Base-Backbone interact. energy: 8.807 local terms energy: -468.970088 where: bonds (distance) C4'-P energy: -130.921 bonds (distance) P-C4' energy: -167.900 flat angles C4'-P-C4' energy: -123.478 flat angles P-C4'-P energy: -66.952 tors. eta vs tors. theta energy: 20.280 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: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -665.217010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.217010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.217010 (E_RNA) where: Base-Base interactions energy: -236.924 where: short stacking energy: -198.078 Base-Backbone interact. energy: 4.455 local terms energy: -432.748407 where: bonds (distance) C4'-P energy: -138.705 bonds (distance) P-C4' energy: -133.798 flat angles C4'-P-C4' energy: -108.685 flat angles P-C4'-P energy: -79.538 tors. eta vs tors. theta energy: 27.978 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: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2406.872425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.872425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.872425 (E_RNA) where: Base-Base interactions energy: -1541.996 where: short stacking energy: -758.844 Base-Backbone interact. energy: -1.455 local terms energy: -863.421613 where: bonds (distance) C4'-P energy: -157.160 bonds (distance) P-C4' energy: -173.834 flat angles C4'-P-C4' energy: -176.329 flat angles P-C4'-P energy: -136.818 tors. eta vs tors. theta energy: -219.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2024.928741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.928741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.928741 (E_RNA) where: Base-Base interactions energy: -1251.415 where: short stacking energy: -618.858 Base-Backbone interact. energy: -0.180 local terms energy: -773.333413 where: bonds (distance) C4'-P energy: -157.172 bonds (distance) P-C4' energy: -179.169 flat angles C4'-P-C4' energy: -183.632 flat angles P-C4'-P energy: -91.966 tors. eta vs tors. theta energy: -161.395 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: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2039.641453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.641453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.641453 (E_RNA) where: Base-Base interactions energy: -1304.743 where: short stacking energy: -639.511 Base-Backbone interact. energy: -0.532 local terms energy: -734.366434 where: bonds (distance) C4'-P energy: -135.227 bonds (distance) P-C4' energy: -153.862 flat angles C4'-P-C4' energy: -172.732 flat angles P-C4'-P energy: -102.035 tors. eta vs tors. theta energy: -170.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1669.107216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.107216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.107216 (E_RNA) where: Base-Base interactions energy: -996.845 where: short stacking energy: -504.143 Base-Backbone interact. energy: -6.189 local terms energy: -666.073899 where: bonds (distance) C4'-P energy: -151.529 bonds (distance) P-C4' energy: -149.781 flat angles C4'-P-C4' energy: -154.647 flat angles P-C4'-P energy: -110.877 tors. eta vs tors. theta energy: -99.240 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: 28 Temperature: 1.100000 Total energy: -1564.846084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.846084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.846084 (E_RNA) where: Base-Base interactions energy: -918.139 where: short stacking energy: -458.511 Base-Backbone interact. energy: 1.209 local terms energy: -647.915520 where: bonds (distance) C4'-P energy: -143.992 bonds (distance) P-C4' energy: -160.887 flat angles C4'-P-C4' energy: -146.505 flat angles P-C4'-P energy: -88.810 tors. eta vs tors. theta energy: -107.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1396.677798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.677798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.677798 (E_RNA) where: Base-Base interactions energy: -782.040 where: short stacking energy: -410.311 Base-Backbone interact. energy: -4.773 local terms energy: -609.864454 where: bonds (distance) C4'-P energy: -148.340 bonds (distance) P-C4' energy: -152.725 flat angles C4'-P-C4' energy: -137.871 flat angles P-C4'-P energy: -95.848 tors. eta vs tors. theta energy: -75.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1169.990388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.990388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.990388 (E_RNA) where: Base-Base interactions energy: -638.016 where: short stacking energy: -339.653 Base-Backbone interact. energy: 5.743 local terms energy: -537.717697 where: bonds (distance) C4'-P energy: -128.093 bonds (distance) P-C4' energy: -147.426 flat angles C4'-P-C4' energy: -137.248 flat angles P-C4'-P energy: -82.403 tors. eta vs tors. theta energy: -42.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1029.275802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.275802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.275802 (E_RNA) where: Base-Base interactions energy: -541.532 where: short stacking energy: -305.789 Base-Backbone interact. energy: -2.965 local terms energy: -484.778782 where: bonds (distance) C4'-P energy: -151.853 bonds (distance) P-C4' energy: -137.342 flat angles C4'-P-C4' energy: -117.627 flat angles P-C4'-P energy: -63.389 tors. eta vs tors. theta energy: -14.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -706.877975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.877975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.877975 (E_RNA) where: Base-Base interactions energy: -241.590 where: short stacking energy: -201.627 Base-Backbone interact. energy: 0.419 local terms energy: -465.706810 where: bonds (distance) C4'-P energy: -137.567 bonds (distance) P-C4' energy: -152.021 flat angles C4'-P-C4' energy: -117.675 flat angles P-C4'-P energy: -80.506 tors. eta vs tors. theta energy: 22.062 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: 28 Temperature: 1.350000 Total energy: -653.539179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.539179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.539179 (E_RNA) where: Base-Base interactions energy: -230.141 where: short stacking energy: -175.383 Base-Backbone interact. energy: -0.129 local terms energy: -423.270082 where: bonds (distance) C4'-P energy: -131.554 bonds (distance) P-C4' energy: -149.470 flat angles C4'-P-C4' energy: -133.028 flat angles P-C4'-P energy: -49.611 tors. eta vs tors. theta energy: 40.394 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: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2378.963569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.963569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.963569 (E_RNA) where: Base-Base interactions energy: -1518.069 where: short stacking energy: -720.762 Base-Backbone interact. energy: -1.812 local terms energy: -859.082205 where: bonds (distance) C4'-P energy: -166.156 bonds (distance) P-C4' energy: -166.856 flat angles C4'-P-C4' energy: -199.247 flat angles P-C4'-P energy: -124.691 tors. eta vs tors. theta energy: -202.132 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: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2041.032507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.032507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.032507 (E_RNA) where: Base-Base interactions energy: -1283.545 where: short stacking energy: -657.740 Base-Backbone interact. energy: 0.074 local terms energy: -757.561011 where: bonds (distance) C4'-P energy: -159.374 bonds (distance) P-C4' energy: -172.554 flat angles C4'-P-C4' energy: -172.935 flat angles P-C4'-P energy: -105.515 tors. eta vs tors. theta energy: -147.183 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: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2090.072000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.072000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.072000 (E_RNA) where: Base-Base interactions energy: -1323.449 where: short stacking energy: -617.524 Base-Backbone interact. energy: 2.411 local terms energy: -769.034015 where: bonds (distance) C4'-P energy: -169.058 bonds (distance) P-C4' energy: -152.026 flat angles C4'-P-C4' energy: -175.275 flat angles P-C4'-P energy: -105.056 tors. eta vs tors. theta energy: -167.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1741.317571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.317571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.317571 (E_RNA) where: Base-Base interactions energy: -1084.666 where: short stacking energy: -538.897 Base-Backbone interact. energy: -3.987 local terms energy: -652.664966 where: bonds (distance) C4'-P energy: -133.456 bonds (distance) P-C4' energy: -154.279 flat angles C4'-P-C4' energy: -162.872 flat angles P-C4'-P energy: -96.122 tors. eta vs tors. theta energy: -105.937 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: 29 Temperature: 1.100000 Total energy: -1632.965667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.965667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.965667 (E_RNA) where: Base-Base interactions energy: -974.702 where: short stacking energy: -521.942 Base-Backbone interact. energy: -4.041 local terms energy: -654.222466 where: bonds (distance) C4'-P energy: -130.368 bonds (distance) P-C4' energy: -150.978 flat angles C4'-P-C4' energy: -172.632 flat angles P-C4'-P energy: -92.916 tors. eta vs tors. theta energy: -107.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1518.921008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.921008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.921008 (E_RNA) where: Base-Base interactions energy: -909.449 where: short stacking energy: -456.515 Base-Backbone interact. energy: -0.139 local terms energy: -609.333133 where: bonds (distance) C4'-P energy: -153.575 bonds (distance) P-C4' energy: -141.452 flat angles C4'-P-C4' energy: -137.192 flat angles P-C4'-P energy: -90.334 tors. eta vs tors. theta energy: -86.781 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: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1126.222389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.222389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.222389 (E_RNA) where: Base-Base interactions energy: -605.989 where: short stacking energy: -313.132 Base-Backbone interact. energy: -1.395 local terms energy: -518.837861 where: bonds (distance) C4'-P energy: -137.672 bonds (distance) P-C4' energy: -152.032 flat angles C4'-P-C4' energy: -117.955 flat angles P-C4'-P energy: -88.472 tors. eta vs tors. theta energy: -22.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1047.621151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.621151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.621151 (E_RNA) where: Base-Base interactions energy: -539.521 where: short stacking energy: -257.034 Base-Backbone interact. energy: -0.122 local terms energy: -507.978201 where: bonds (distance) C4'-P energy: -148.027 bonds (distance) P-C4' energy: -163.308 flat angles C4'-P-C4' energy: -121.389 flat angles P-C4'-P energy: -62.664 tors. eta vs tors. theta energy: -12.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -683.170463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.170463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.170463 (E_RNA) where: Base-Base interactions energy: -256.740 where: short stacking energy: -215.249 Base-Backbone interact. energy: -3.170 local terms energy: -423.260761 where: bonds (distance) C4'-P energy: -107.416 bonds (distance) P-C4' energy: -150.234 flat angles C4'-P-C4' energy: -115.734 flat angles P-C4'-P energy: -70.589 tors. eta vs tors. theta energy: 20.713 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: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -606.066310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.066310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.066310 (E_RNA) where: Base-Base interactions energy: -244.328 where: short stacking energy: -176.468 Base-Backbone interact. energy: 5.737 local terms energy: -367.475311 where: bonds (distance) C4'-P energy: -98.955 bonds (distance) P-C4' energy: -134.706 flat angles C4'-P-C4' energy: -95.801 flat angles P-C4'-P energy: -69.097 tors. eta vs tors. theta energy: 31.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2380.302117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.302117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.302117 (E_RNA) where: Base-Base interactions energy: -1510.389 where: short stacking energy: -709.744 Base-Backbone interact. energy: -1.268 local terms energy: -868.645605 where: bonds (distance) C4'-P energy: -180.539 bonds (distance) P-C4' energy: -173.668 flat angles C4'-P-C4' energy: -187.232 flat angles P-C4'-P energy: -121.518 tors. eta vs tors. theta energy: -205.688 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: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2050.202553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.202553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.202553 (E_RNA) where: Base-Base interactions energy: -1283.994 where: short stacking energy: -619.181 Base-Backbone interact. energy: -2.838 local terms energy: -763.369760 where: bonds (distance) C4'-P energy: -171.085 bonds (distance) P-C4' energy: -147.576 flat angles C4'-P-C4' energy: -177.597 flat angles P-C4'-P energy: -108.972 tors. eta vs tors. theta energy: -158.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2184.861330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.861330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.861330 (E_RNA) where: Base-Base interactions energy: -1369.980 where: short stacking energy: -629.412 Base-Backbone interact. energy: -7.761 local terms energy: -807.120267 where: bonds (distance) C4'-P energy: -164.459 bonds (distance) P-C4' energy: -176.638 flat angles C4'-P-C4' energy: -167.659 flat angles P-C4'-P energy: -122.666 tors. eta vs tors. theta energy: -175.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1707.502390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.502390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.502390 (E_RNA) where: Base-Base interactions energy: -1012.731 where: short stacking energy: -526.498 Base-Backbone interact. energy: -2.024 local terms energy: -692.747341 where: bonds (distance) C4'-P energy: -137.951 bonds (distance) P-C4' energy: -167.061 flat angles C4'-P-C4' energy: -171.259 flat angles P-C4'-P energy: -95.950 tors. eta vs tors. theta energy: -120.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1664.408885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.408885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.408885 (E_RNA) where: Base-Base interactions energy: -1000.025 where: short stacking energy: -501.428 Base-Backbone interact. energy: 1.187 local terms energy: -665.570893 where: bonds (distance) C4'-P energy: -156.762 bonds (distance) P-C4' energy: -154.521 flat angles C4'-P-C4' energy: -138.551 flat angles P-C4'-P energy: -108.074 tors. eta vs tors. theta energy: -107.663 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: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1487.191655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.191655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.191655 (E_RNA) where: Base-Base interactions energy: -853.261 where: short stacking energy: -410.937 Base-Backbone interact. energy: -2.608 local terms energy: -631.322217 where: bonds (distance) C4'-P energy: -153.983 bonds (distance) P-C4' energy: -145.470 flat angles C4'-P-C4' energy: -149.730 flat angles P-C4'-P energy: -102.174 tors. eta vs tors. theta energy: -79.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1157.563182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.563182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.563182 (E_RNA) where: Base-Base interactions energy: -615.568 where: short stacking energy: -336.311 Base-Backbone interact. energy: -1.319 local terms energy: -540.676236 where: bonds (distance) C4'-P energy: -160.801 bonds (distance) P-C4' energy: -141.539 flat angles C4'-P-C4' energy: -120.347 flat angles P-C4'-P energy: -77.089 tors. eta vs tors. theta energy: -40.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1032.832205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.832205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.832205 (E_RNA) where: Base-Base interactions energy: -552.116 where: short stacking energy: -330.796 Base-Backbone interact. energy: -0.619 local terms energy: -480.097255 where: bonds (distance) C4'-P energy: -117.418 bonds (distance) P-C4' energy: -130.302 flat angles C4'-P-C4' energy: -113.706 flat angles P-C4'-P energy: -90.069 tors. eta vs tors. theta energy: -28.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -634.892661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.892661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.892661 (E_RNA) where: Base-Base interactions energy: -186.674 where: short stacking energy: -163.632 Base-Backbone interact. energy: 2.959 local terms energy: -451.177892 where: bonds (distance) C4'-P energy: -109.135 bonds (distance) P-C4' energy: -170.499 flat angles C4'-P-C4' energy: -111.905 flat angles P-C4'-P energy: -79.103 tors. eta vs tors. theta energy: 19.464 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: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -660.583135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.583135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.583135 (E_RNA) where: Base-Base interactions energy: -261.479 where: short stacking energy: -176.647 Base-Backbone interact. energy: 0.140 local terms energy: -399.244421 where: bonds (distance) C4'-P energy: -136.922 bonds (distance) P-C4' energy: -124.706 flat angles C4'-P-C4' energy: -105.668 flat angles P-C4'-P energy: -64.152 tors. eta vs tors. theta energy: 32.203 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: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2398.527870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.527870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.527870 (E_RNA) where: Base-Base interactions energy: -1549.409 where: short stacking energy: -761.646 Base-Backbone interact. energy: 0.091 local terms energy: -849.209825 where: bonds (distance) C4'-P energy: -170.327 bonds (distance) P-C4' energy: -161.446 flat angles C4'-P-C4' energy: -177.844 flat angles P-C4'-P energy: -118.306 tors. eta vs tors. theta energy: -221.287 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: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2246.941555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.941555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.941555 (E_RNA) where: Base-Base interactions energy: -1442.304 where: short stacking energy: -700.170 Base-Backbone interact. energy: -3.977 local terms energy: -800.660298 where: bonds (distance) C4'-P energy: -145.900 bonds (distance) P-C4' energy: -173.289 flat angles C4'-P-C4' energy: -180.871 flat angles P-C4'-P energy: -116.708 tors. eta vs tors. theta energy: -183.893 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: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1954.336799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.336799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.336799 (E_RNA) where: Base-Base interactions energy: -1216.305 where: short stacking energy: -578.710 Base-Backbone interact. energy: -1.366 local terms energy: -736.665331 where: bonds (distance) C4'-P energy: -149.282 bonds (distance) P-C4' energy: -169.234 flat angles C4'-P-C4' energy: -195.059 flat angles P-C4'-P energy: -86.015 tors. eta vs tors. theta energy: -137.076 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: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1780.720450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.720450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.720450 (E_RNA) where: Base-Base interactions energy: -1085.571 where: short stacking energy: -545.641 Base-Backbone interact. energy: 0.754 local terms energy: -695.903445 where: bonds (distance) C4'-P energy: -158.983 bonds (distance) P-C4' energy: -163.097 flat angles C4'-P-C4' energy: -140.694 flat angles P-C4'-P energy: -98.839 tors. eta vs tors. theta energy: -134.291 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: 31 Temperature: 1.100000 Total energy: -1599.664067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.664067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.664067 (E_RNA) where: Base-Base interactions energy: -964.987 where: short stacking energy: -491.570 Base-Backbone interact. energy: -3.560 local terms energy: -631.117036 where: bonds (distance) C4'-P energy: -152.970 bonds (distance) P-C4' energy: -150.974 flat angles C4'-P-C4' energy: -157.453 flat angles P-C4'-P energy: -78.016 tors. eta vs tors. theta energy: -91.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1545.147797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.147797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.147797 (E_RNA) where: Base-Base interactions energy: -923.705 where: short stacking energy: -457.832 Base-Backbone interact. energy: -2.685 local terms energy: -618.757377 where: bonds (distance) C4'-P energy: -138.230 bonds (distance) P-C4' energy: -145.372 flat angles C4'-P-C4' energy: -138.006 flat angles P-C4'-P energy: -99.198 tors. eta vs tors. theta energy: -97.952 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: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1184.427404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.427404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.427404 (E_RNA) where: Base-Base interactions energy: -662.582 where: short stacking energy: -360.376 Base-Backbone interact. energy: 1.398 local terms energy: -523.243447 where: bonds (distance) C4'-P energy: -139.139 bonds (distance) P-C4' energy: -144.131 flat angles C4'-P-C4' energy: -113.866 flat angles P-C4'-P energy: -85.067 tors. eta vs tors. theta energy: -41.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -941.423485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.423485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.423485 (E_RNA) where: Base-Base interactions energy: -441.434 where: short stacking energy: -248.029 Base-Backbone interact. energy: -0.318 local terms energy: -499.671511 where: bonds (distance) C4'-P energy: -144.506 bonds (distance) P-C4' energy: -142.120 flat angles C4'-P-C4' energy: -120.708 flat angles P-C4'-P energy: -84.057 tors. eta vs tors. theta energy: -8.281 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: 31 Temperature: 1.300000 Total energy: -709.024601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.024601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.024601 (E_RNA) where: Base-Base interactions energy: -278.782 where: short stacking energy: -210.387 Base-Backbone interact. energy: -0.580 local terms energy: -429.662410 where: bonds (distance) C4'-P energy: -125.028 bonds (distance) P-C4' energy: -154.697 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -68.440 tors. eta vs tors. theta energy: 26.775 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: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -712.656747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.656747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.656747 (E_RNA) where: Base-Base interactions energy: -296.469 where: short stacking energy: -189.226 Base-Backbone interact. energy: 4.766 local terms energy: -420.953637 where: bonds (distance) C4'-P energy: -150.339 bonds (distance) P-C4' energy: -145.495 flat angles C4'-P-C4' energy: -110.237 flat angles P-C4'-P energy: -44.325 tors. eta vs tors. theta energy: 29.442 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: 9 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2404.728303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.728303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.728303 (E_RNA) where: Base-Base interactions energy: -1563.240 where: short stacking energy: -753.555 Base-Backbone interact. energy: -2.219 local terms energy: -839.269918 where: bonds (distance) C4'-P energy: -144.528 bonds (distance) P-C4' energy: -161.893 flat angles C4'-P-C4' energy: -181.343 flat angles P-C4'-P energy: -128.628 tors. eta vs tors. theta energy: -222.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2278.833075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.833075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.833075 (E_RNA) where: Base-Base interactions energy: -1480.841 where: short stacking energy: -698.095 Base-Backbone interact. energy: -4.825 local terms energy: -793.167369 where: bonds (distance) C4'-P energy: -165.797 bonds (distance) P-C4' energy: -170.861 flat angles C4'-P-C4' energy: -175.300 flat angles P-C4'-P energy: -100.772 tors. eta vs tors. theta energy: -180.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1949.501289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.501289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.501289 (E_RNA) where: Base-Base interactions energy: -1205.128 where: short stacking energy: -598.469 Base-Backbone interact. energy: -2.770 local terms energy: -741.603822 where: bonds (distance) C4'-P energy: -142.651 bonds (distance) P-C4' energy: -158.827 flat angles C4'-P-C4' energy: -175.572 flat angles P-C4'-P energy: -113.853 tors. eta vs tors. theta energy: -150.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1817.492598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.492598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.492598 (E_RNA) where: Base-Base interactions energy: -1129.736 where: short stacking energy: -562.546 Base-Backbone interact. energy: 1.554 local terms energy: -689.310856 where: bonds (distance) C4'-P energy: -155.321 bonds (distance) P-C4' energy: -165.246 flat angles C4'-P-C4' energy: -163.865 flat angles P-C4'-P energy: -78.139 tors. eta vs tors. theta energy: -126.740 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: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1578.806417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.806417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.806417 (E_RNA) where: Base-Base interactions energy: -941.617 where: short stacking energy: -453.135 Base-Backbone interact. energy: -3.176 local terms energy: -634.013065 where: bonds (distance) C4'-P energy: -135.277 bonds (distance) P-C4' energy: -157.365 flat angles C4'-P-C4' energy: -155.482 flat angles P-C4'-P energy: -92.216 tors. eta vs tors. theta energy: -93.673 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: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1509.069312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.069312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.069312 (E_RNA) where: Base-Base interactions energy: -861.932 where: short stacking energy: -418.662 Base-Backbone interact. energy: -2.757 local terms energy: -644.379928 where: bonds (distance) C4'-P energy: -138.592 bonds (distance) P-C4' energy: -158.768 flat angles C4'-P-C4' energy: -141.555 flat angles P-C4'-P energy: -108.700 tors. eta vs tors. theta energy: -96.765 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: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1125.324666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.324666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.324666 (E_RNA) where: Base-Base interactions energy: -605.138 where: short stacking energy: -331.140 Base-Backbone interact. energy: 4.094 local terms energy: -524.280587 where: bonds (distance) C4'-P energy: -130.836 bonds (distance) P-C4' energy: -153.776 flat angles C4'-P-C4' energy: -127.639 flat angles P-C4'-P energy: -104.701 tors. eta vs tors. theta energy: -7.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -869.944637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.944637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.944637 (E_RNA) where: Base-Base interactions energy: -372.281 where: short stacking energy: -251.156 Base-Backbone interact. energy: -1.636 local terms energy: -496.028040 where: bonds (distance) C4'-P energy: -149.269 bonds (distance) P-C4' energy: -136.601 flat angles C4'-P-C4' energy: -129.839 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -7.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -690.727288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.727288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.727288 (E_RNA) where: Base-Base interactions energy: -269.764 where: short stacking energy: -201.632 Base-Backbone interact. energy: 6.689 local terms energy: -427.652190 where: bonds (distance) C4'-P energy: -138.573 bonds (distance) P-C4' energy: -159.176 flat angles C4'-P-C4' energy: -105.776 flat angles P-C4'-P energy: -79.523 tors. eta vs tors. theta energy: 55.396 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: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -731.919337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.919337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.919337 (E_RNA) where: Base-Base interactions energy: -303.563 where: short stacking energy: -211.682 Base-Backbone interact. energy: -0.998 local terms energy: -427.358052 where: bonds (distance) C4'-P energy: -124.081 bonds (distance) P-C4' energy: -141.093 flat angles C4'-P-C4' energy: -123.537 flat angles P-C4'-P energy: -71.358 tors. eta vs tors. theta energy: 32.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2398.858988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.858988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.858988 (E_RNA) where: Base-Base interactions energy: -1529.780 where: short stacking energy: -731.521 Base-Backbone interact. energy: -4.303 local terms energy: -864.776013 where: bonds (distance) C4'-P energy: -169.121 bonds (distance) P-C4' energy: -177.496 flat angles C4'-P-C4' energy: -184.154 flat angles P-C4'-P energy: -130.877 tors. eta vs tors. theta energy: -203.128 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: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2271.469715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.469715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.469715 (E_RNA) where: Base-Base interactions energy: -1470.385 where: short stacking energy: -681.476 Base-Backbone interact. energy: -0.770 local terms energy: -800.314665 where: bonds (distance) C4'-P energy: -166.780 bonds (distance) P-C4' energy: -163.211 flat angles C4'-P-C4' energy: -181.265 flat angles P-C4'-P energy: -103.393 tors. eta vs tors. theta energy: -185.665 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: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1948.555185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.555185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.555185 (E_RNA) where: Base-Base interactions energy: -1237.876 where: short stacking energy: -575.671 Base-Backbone interact. energy: -3.989 local terms energy: -706.690959 where: bonds (distance) C4'-P energy: -149.390 bonds (distance) P-C4' energy: -160.158 flat angles C4'-P-C4' energy: -154.559 flat angles P-C4'-P energy: -102.979 tors. eta vs tors. theta energy: -139.605 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: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1836.156656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.156656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.156656 (E_RNA) where: Base-Base interactions energy: -1140.237 where: short stacking energy: -574.060 Base-Backbone interact. energy: -1.704 local terms energy: -694.215687 where: bonds (distance) C4'-P energy: -157.763 bonds (distance) P-C4' energy: -147.064 flat angles C4'-P-C4' energy: -137.339 flat angles P-C4'-P energy: -110.504 tors. eta vs tors. theta energy: -141.546 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: 33 Temperature: 1.100000 Total energy: -1594.120545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.120545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.120545 (E_RNA) where: Base-Base interactions energy: -970.897 where: short stacking energy: -438.313 Base-Backbone interact. energy: -1.539 local terms energy: -621.684457 where: bonds (distance) C4'-P energy: -140.711 bonds (distance) P-C4' energy: -151.277 flat angles C4'-P-C4' energy: -155.031 flat angles P-C4'-P energy: -100.573 tors. eta vs tors. theta energy: -74.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1530.660786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.660786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.660786 (E_RNA) where: Base-Base interactions energy: -897.088 where: short stacking energy: -443.693 Base-Backbone interact. energy: -0.578 local terms energy: -632.994229 where: bonds (distance) C4'-P energy: -142.602 bonds (distance) P-C4' energy: -137.165 flat angles C4'-P-C4' energy: -161.924 flat angles P-C4'-P energy: -89.834 tors. eta vs tors. theta energy: -101.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1151.246031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.246031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.246031 (E_RNA) where: Base-Base interactions energy: -549.242 where: short stacking energy: -303.551 Base-Backbone interact. energy: -3.892 local terms energy: -598.111691 where: bonds (distance) C4'-P energy: -142.853 bonds (distance) P-C4' energy: -162.452 flat angles C4'-P-C4' energy: -145.340 flat angles P-C4'-P energy: -119.546 tors. eta vs tors. theta energy: -27.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -772.859366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.859366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.859366 (E_RNA) where: Base-Base interactions energy: -273.059 where: short stacking energy: -206.414 Base-Backbone interact. energy: 0.158 local terms energy: -499.958316 where: bonds (distance) C4'-P energy: -128.174 bonds (distance) P-C4' energy: -162.107 flat angles C4'-P-C4' energy: -136.762 flat angles P-C4'-P energy: -78.972 tors. eta vs tors. theta energy: 6.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -666.391647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.391647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.391647 (E_RNA) where: Base-Base interactions energy: -231.137 where: short stacking energy: -187.312 Base-Backbone interact. energy: 6.783 local terms energy: -442.038152 where: bonds (distance) C4'-P energy: -133.978 bonds (distance) P-C4' energy: -149.695 flat angles C4'-P-C4' energy: -115.101 flat angles P-C4'-P energy: -71.957 tors. eta vs tors. theta energy: 28.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -809.844943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.844943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.844943 (E_RNA) where: Base-Base interactions energy: -360.195 where: short stacking energy: -226.138 Base-Backbone interact. energy: 4.491 local terms energy: -454.140845 where: bonds (distance) C4'-P energy: -142.475 bonds (distance) P-C4' energy: -153.823 flat angles C4'-P-C4' energy: -113.636 flat angles P-C4'-P energy: -69.772 tors. eta vs tors. theta energy: 25.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2399.825981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.825981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.825981 (E_RNA) where: Base-Base interactions energy: -1555.630 where: short stacking energy: -693.523 Base-Backbone interact. energy: -3.744 local terms energy: -840.452247 where: bonds (distance) C4'-P energy: -164.136 bonds (distance) P-C4' energy: -171.036 flat angles C4'-P-C4' energy: -189.702 flat angles P-C4'-P energy: -113.836 tors. eta vs tors. theta energy: -201.743 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: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2246.854225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.854225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.854225 (E_RNA) where: Base-Base interactions energy: -1450.678 where: short stacking energy: -662.842 Base-Backbone interact. energy: -1.896 local terms energy: -794.279755 where: bonds (distance) C4'-P energy: -167.314 bonds (distance) P-C4' energy: -159.489 flat angles C4'-P-C4' energy: -178.796 flat angles P-C4'-P energy: -119.680 tors. eta vs tors. theta energy: -169.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1958.062570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.062570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.062570 (E_RNA) where: Base-Base interactions energy: -1189.469 where: short stacking energy: -561.933 Base-Backbone interact. energy: -3.253 local terms energy: -765.340280 where: bonds (distance) C4'-P energy: -155.355 bonds (distance) P-C4' energy: -175.620 flat angles C4'-P-C4' energy: -178.580 flat angles P-C4'-P energy: -104.766 tors. eta vs tors. theta energy: -151.019 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: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1828.538964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.538964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.538964 (E_RNA) where: Base-Base interactions energy: -1134.294 where: short stacking energy: -564.448 Base-Backbone interact. energy: -2.448 local terms energy: -691.797192 where: bonds (distance) C4'-P energy: -150.009 bonds (distance) P-C4' energy: -158.514 flat angles C4'-P-C4' energy: -158.697 flat angles P-C4'-P energy: -90.363 tors. eta vs tors. theta energy: -134.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1672.734829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.734829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.734829 (E_RNA) where: Base-Base interactions energy: -987.859 where: short stacking energy: -482.123 Base-Backbone interact. energy: -3.830 local terms energy: -681.046043 where: bonds (distance) C4'-P energy: -162.689 bonds (distance) P-C4' energy: -158.346 flat angles C4'-P-C4' energy: -156.314 flat angles P-C4'-P energy: -99.797 tors. eta vs tors. theta energy: -103.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1556.075252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.075252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.075252 (E_RNA) where: Base-Base interactions energy: -943.638 where: short stacking energy: -449.129 Base-Backbone interact. energy: 1.305 local terms energy: -613.742570 where: bonds (distance) C4'-P energy: -143.153 bonds (distance) P-C4' energy: -143.009 flat angles C4'-P-C4' energy: -147.702 flat angles P-C4'-P energy: -85.796 tors. eta vs tors. theta energy: -94.082 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: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1209.260942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.260942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.260942 (E_RNA) where: Base-Base interactions energy: -680.661 where: short stacking energy: -378.743 Base-Backbone interact. energy: 4.262 local terms energy: -532.861946 where: bonds (distance) C4'-P energy: -134.072 bonds (distance) P-C4' energy: -144.864 flat angles C4'-P-C4' energy: -123.722 flat angles P-C4'-P energy: -78.759 tors. eta vs tors. theta energy: -51.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -838.669594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.669594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.669594 (E_RNA) where: Base-Base interactions energy: -334.685 where: short stacking energy: -240.787 Base-Backbone interact. energy: -1.059 local terms energy: -502.926059 where: bonds (distance) C4'-P energy: -155.636 bonds (distance) P-C4' energy: -156.614 flat angles C4'-P-C4' energy: -121.577 flat angles P-C4'-P energy: -78.663 tors. eta vs tors. theta energy: 9.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -846.228806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.228806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.228806 (E_RNA) where: Base-Base interactions energy: -350.213 where: short stacking energy: -206.452 Base-Backbone interact. energy: 1.603 local terms energy: -497.618586 where: bonds (distance) C4'-P energy: -145.291 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -125.367 flat angles P-C4'-P energy: -75.251 tors. eta vs tors. theta energy: 3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -625.994099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.994099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.994099 (E_RNA) where: Base-Base interactions energy: -231.184 where: short stacking energy: -185.890 Base-Backbone interact. energy: 4.079 local terms energy: -398.888719 where: bonds (distance) C4'-P energy: -114.031 bonds (distance) P-C4' energy: -129.113 flat angles C4'-P-C4' energy: -111.375 flat angles P-C4'-P energy: -63.413 tors. eta vs tors. theta energy: 19.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2393.470656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.470656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.470656 (E_RNA) where: Base-Base interactions energy: -1560.150 where: short stacking energy: -701.212 Base-Backbone interact. energy: -1.236 local terms energy: -832.084170 where: bonds (distance) C4'-P energy: -165.989 bonds (distance) P-C4' energy: -170.301 flat angles C4'-P-C4' energy: -168.839 flat angles P-C4'-P energy: -123.033 tors. eta vs tors. theta energy: -203.922 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: 7 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2274.218881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.218881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.218881 (E_RNA) where: Base-Base interactions energy: -1470.036 where: short stacking energy: -681.490 Base-Backbone interact. energy: -3.712 local terms energy: -800.470603 where: bonds (distance) C4'-P energy: -161.965 bonds (distance) P-C4' energy: -154.466 flat angles C4'-P-C4' energy: -185.489 flat angles P-C4'-P energy: -112.113 tors. eta vs tors. theta energy: -186.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1961.777632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.777632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.777632 (E_RNA) where: Base-Base interactions energy: -1226.150 where: short stacking energy: -593.733 Base-Backbone interact. energy: -0.089 local terms energy: -735.538667 where: bonds (distance) C4'-P energy: -165.094 bonds (distance) P-C4' energy: -163.377 flat angles C4'-P-C4' energy: -158.413 flat angles P-C4'-P energy: -105.345 tors. eta vs tors. theta energy: -143.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1788.815722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.815722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.815722 (E_RNA) where: Base-Base interactions energy: -1109.273 where: short stacking energy: -512.956 Base-Backbone interact. energy: -5.010 local terms energy: -674.532696 where: bonds (distance) C4'-P energy: -146.925 bonds (distance) P-C4' energy: -140.850 flat angles C4'-P-C4' energy: -178.509 flat angles P-C4'-P energy: -93.330 tors. eta vs tors. theta energy: -114.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1653.390901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.390901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.390901 (E_RNA) where: Base-Base interactions energy: -990.362 where: short stacking energy: -477.087 Base-Backbone interact. energy: -5.321 local terms energy: -657.708798 where: bonds (distance) C4'-P energy: -141.955 bonds (distance) P-C4' energy: -150.132 flat angles C4'-P-C4' energy: -156.645 flat angles P-C4'-P energy: -106.154 tors. eta vs tors. theta energy: -102.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1635.901206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.901206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.901206 (E_RNA) where: Base-Base interactions energy: -1002.158 where: short stacking energy: -469.520 Base-Backbone interact. energy: -1.505 local terms energy: -632.238593 where: bonds (distance) C4'-P energy: -132.442 bonds (distance) P-C4' energy: -161.389 flat angles C4'-P-C4' energy: -151.271 flat angles P-C4'-P energy: -87.444 tors. eta vs tors. theta energy: -99.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1179.717691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.717691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.717691 (E_RNA) where: Base-Base interactions energy: -623.924 where: short stacking energy: -333.957 Base-Backbone interact. energy: 1.165 local terms energy: -556.958854 where: bonds (distance) C4'-P energy: -127.150 bonds (distance) P-C4' energy: -143.450 flat angles C4'-P-C4' energy: -148.210 flat angles P-C4'-P energy: -97.300 tors. eta vs tors. theta energy: -40.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -990.987119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.987119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.987119 (E_RNA) where: Base-Base interactions energy: -519.802 where: short stacking energy: -280.576 Base-Backbone interact. energy: -2.298 local terms energy: -468.886820 where: bonds (distance) C4'-P energy: -129.652 bonds (distance) P-C4' energy: -125.977 flat angles C4'-P-C4' energy: -135.973 flat angles P-C4'-P energy: -69.458 tors. eta vs tors. theta energy: -7.827 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: 2 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -779.856381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.856381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.856381 (E_RNA) where: Base-Base interactions energy: -350.501 where: short stacking energy: -209.326 Base-Backbone interact. energy: 0.696 local terms energy: -430.051789 where: bonds (distance) C4'-P energy: -121.421 bonds (distance) P-C4' energy: -141.187 flat angles C4'-P-C4' energy: -104.037 flat angles P-C4'-P energy: -68.825 tors. eta vs tors. theta energy: 5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -606.310812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.310812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.310812 (E_RNA) where: Base-Base interactions energy: -177.415 where: short stacking energy: -136.494 Base-Backbone interact. energy: -1.309 local terms energy: -427.587270 where: bonds (distance) C4'-P energy: -131.430 bonds (distance) P-C4' energy: -144.671 flat angles C4'-P-C4' energy: -103.060 flat angles P-C4'-P energy: -74.670 tors. eta vs tors. theta energy: 26.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2409.381304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.381304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.381304 (E_RNA) where: Base-Base interactions energy: -1573.445 where: short stacking energy: -716.646 Base-Backbone interact. energy: -0.719 local terms energy: -835.217785 where: bonds (distance) C4'-P energy: -169.690 bonds (distance) P-C4' energy: -162.467 flat angles C4'-P-C4' energy: -188.907 flat angles P-C4'-P energy: -123.712 tors. eta vs tors. theta energy: -190.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2317.944738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.944738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.944738 (E_RNA) where: Base-Base interactions energy: -1513.162 where: short stacking energy: -692.559 Base-Backbone interact. energy: -2.998 local terms energy: -801.784111 where: bonds (distance) C4'-P energy: -168.608 bonds (distance) P-C4' energy: -169.255 flat angles C4'-P-C4' energy: -171.596 flat angles P-C4'-P energy: -123.040 tors. eta vs tors. theta energy: -169.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2003.687787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.687787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.687787 (E_RNA) where: Base-Base interactions energy: -1273.686 where: short stacking energy: -584.065 Base-Backbone interact. energy: -5.133 local terms energy: -724.868511 where: bonds (distance) C4'-P energy: -138.498 bonds (distance) P-C4' energy: -174.033 flat angles C4'-P-C4' energy: -157.182 flat angles P-C4'-P energy: -101.209 tors. eta vs tors. theta energy: -153.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1875.893499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.893499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.893499 (E_RNA) where: Base-Base interactions energy: -1178.351 where: short stacking energy: -538.383 Base-Backbone interact. energy: -1.341 local terms energy: -696.201604 where: bonds (distance) C4'-P energy: -158.104 bonds (distance) P-C4' energy: -139.497 flat angles C4'-P-C4' energy: -171.149 flat angles P-C4'-P energy: -98.441 tors. eta vs tors. theta energy: -129.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1849.951499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.951499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.951499 (E_RNA) where: Base-Base interactions energy: -1172.228 where: short stacking energy: -569.397 Base-Backbone interact. energy: -5.513 local terms energy: -672.210696 where: bonds (distance) C4'-P energy: -138.293 bonds (distance) P-C4' energy: -131.768 flat angles C4'-P-C4' energy: -161.960 flat angles P-C4'-P energy: -97.017 tors. eta vs tors. theta energy: -143.173 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: 36 Temperature: 1.150000 Total energy: -1571.813927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.813927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.813927 (E_RNA) where: Base-Base interactions energy: -927.245 where: short stacking energy: -437.114 Base-Backbone interact. energy: 4.845 local terms energy: -649.413914 where: bonds (distance) C4'-P energy: -154.281 bonds (distance) P-C4' energy: -157.930 flat angles C4'-P-C4' energy: -147.368 flat angles P-C4'-P energy: -101.708 tors. eta vs tors. theta energy: -88.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1255.921529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.921529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.921529 (E_RNA) where: Base-Base interactions energy: -686.546 where: short stacking energy: -372.936 Base-Backbone interact. energy: -0.116 local terms energy: -569.259594 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -171.677 flat angles C4'-P-C4' energy: -127.408 flat angles P-C4'-P energy: -73.248 tors. eta vs tors. theta energy: -52.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1017.230508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.230508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.230508 (E_RNA) where: Base-Base interactions energy: -526.221 where: short stacking energy: -286.291 Base-Backbone interact. energy: -1.319 local terms energy: -489.691051 where: bonds (distance) C4'-P energy: -135.550 bonds (distance) P-C4' energy: -147.604 flat angles C4'-P-C4' energy: -124.840 flat angles P-C4'-P energy: -76.874 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -722.776856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.776856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.776856 (E_RNA) where: Base-Base interactions energy: -256.782 where: short stacking energy: -201.396 Base-Backbone interact. energy: 4.341 local terms energy: -470.335902 where: bonds (distance) C4'-P energy: -117.855 bonds (distance) P-C4' energy: -154.568 flat angles C4'-P-C4' energy: -125.847 flat angles P-C4'-P energy: -79.405 tors. eta vs tors. theta energy: 7.340 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: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -610.596954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.596954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.596954 (E_RNA) where: Base-Base interactions energy: -203.647 where: short stacking energy: -150.274 Base-Backbone interact. energy: 0.353 local terms energy: -407.302623 where: bonds (distance) C4'-P energy: -114.047 bonds (distance) P-C4' energy: -139.699 flat angles C4'-P-C4' energy: -131.475 flat angles P-C4'-P energy: -54.770 tors. eta vs tors. theta energy: 32.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2457.949138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.949138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.949138 (E_RNA) where: Base-Base interactions energy: -1603.523 where: short stacking energy: -728.152 Base-Backbone interact. energy: -1.923 local terms energy: -852.503161 where: bonds (distance) C4'-P energy: -161.003 bonds (distance) P-C4' energy: -173.777 flat angles C4'-P-C4' energy: -182.376 flat angles P-C4'-P energy: -134.941 tors. eta vs tors. theta energy: -200.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2345.260917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.260917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.260917 (E_RNA) where: Base-Base interactions energy: -1537.386 where: short stacking energy: -738.708 Base-Backbone interact. energy: -3.951 local terms energy: -803.923944 where: bonds (distance) C4'-P energy: -149.149 bonds (distance) P-C4' energy: -172.017 flat angles C4'-P-C4' energy: -178.859 flat angles P-C4'-P energy: -97.109 tors. eta vs tors. theta energy: -206.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2045.728519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.728519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.728519 (E_RNA) where: Base-Base interactions energy: -1284.320 where: short stacking energy: -600.953 Base-Backbone interact. energy: 0.154 local terms energy: -761.562355 where: bonds (distance) C4'-P energy: -166.346 bonds (distance) P-C4' energy: -162.225 flat angles C4'-P-C4' energy: -171.735 flat angles P-C4'-P energy: -91.660 tors. eta vs tors. theta energy: -169.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1949.896959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.896959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.896959 (E_RNA) where: Base-Base interactions energy: -1259.017 where: short stacking energy: -581.498 Base-Backbone interact. energy: -0.511 local terms energy: -690.369697 where: bonds (distance) C4'-P energy: -162.873 bonds (distance) P-C4' energy: -141.457 flat angles C4'-P-C4' energy: -152.563 flat angles P-C4'-P energy: -95.983 tors. eta vs tors. theta energy: -137.493 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: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1796.879381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.879381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.879381 (E_RNA) where: Base-Base interactions energy: -1120.264 where: short stacking energy: -538.421 Base-Backbone interact. energy: -6.476 local terms energy: -670.139135 where: bonds (distance) C4'-P energy: -124.021 bonds (distance) P-C4' energy: -158.618 flat angles C4'-P-C4' energy: -161.389 flat angles P-C4'-P energy: -100.628 tors. eta vs tors. theta energy: -125.483 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: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1589.999537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.999537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.999537 (E_RNA) where: Base-Base interactions energy: -945.450 where: short stacking energy: -466.477 Base-Backbone interact. energy: -0.217 local terms energy: -644.333032 where: bonds (distance) C4'-P energy: -142.714 bonds (distance) P-C4' energy: -141.872 flat angles C4'-P-C4' energy: -154.849 flat angles P-C4'-P energy: -100.308 tors. eta vs tors. theta energy: -104.589 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: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1300.927782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.927782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.927782 (E_RNA) where: Base-Base interactions energy: -740.064 where: short stacking energy: -364.694 Base-Backbone interact. energy: 0.817 local terms energy: -561.680518 where: bonds (distance) C4'-P energy: -141.830 bonds (distance) P-C4' energy: -141.941 flat angles C4'-P-C4' energy: -143.313 flat angles P-C4'-P energy: -78.677 tors. eta vs tors. theta energy: -55.919 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: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1034.553654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.553654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.553654 (E_RNA) where: Base-Base interactions energy: -509.147 where: short stacking energy: -271.236 Base-Backbone interact. energy: -0.901 local terms energy: -524.505357 where: bonds (distance) C4'-P energy: -142.576 bonds (distance) P-C4' energy: -163.467 flat angles C4'-P-C4' energy: -127.466 flat angles P-C4'-P energy: -71.656 tors. eta vs tors. theta energy: -19.341 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: 2 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -738.363958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.363958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.363958 (E_RNA) where: Base-Base interactions energy: -243.276 where: short stacking energy: -209.382 Base-Backbone interact. energy: 1.863 local terms energy: -496.950079 where: bonds (distance) C4'-P energy: -138.009 bonds (distance) P-C4' energy: -151.911 flat angles C4'-P-C4' energy: -140.408 flat angles P-C4'-P energy: -63.654 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -593.764145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.764145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.764145 (E_RNA) where: Base-Base interactions energy: -210.724 where: short stacking energy: -174.617 Base-Backbone interact. energy: 6.833 local terms energy: -389.873386 where: bonds (distance) C4'-P energy: -118.415 bonds (distance) P-C4' energy: -122.975 flat angles C4'-P-C4' energy: -122.794 flat angles P-C4'-P energy: -60.876 tors. eta vs tors. theta energy: 35.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2456.724882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.724882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.724882 (E_RNA) where: Base-Base interactions energy: -1602.423 where: short stacking energy: -736.134 Base-Backbone interact. energy: -0.054 local terms energy: -854.248310 where: bonds (distance) C4'-P energy: -168.631 bonds (distance) P-C4' energy: -157.188 flat angles C4'-P-C4' energy: -184.640 flat angles P-C4'-P energy: -127.209 tors. eta vs tors. theta energy: -216.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2339.676986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.676986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.676986 (E_RNA) where: Base-Base interactions energy: -1540.857 where: short stacking energy: -711.654 Base-Backbone interact. energy: -5.934 local terms energy: -792.885337 where: bonds (distance) C4'-P energy: -148.872 bonds (distance) P-C4' energy: -153.955 flat angles C4'-P-C4' energy: -180.126 flat angles P-C4'-P energy: -101.815 tors. eta vs tors. theta energy: -208.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2037.965747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.965747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.965747 (E_RNA) where: Base-Base interactions energy: -1319.083 where: short stacking energy: -599.052 Base-Backbone interact. energy: 2.915 local terms energy: -721.797275 where: bonds (distance) C4'-P energy: -153.950 bonds (distance) P-C4' energy: -160.519 flat angles C4'-P-C4' energy: -157.966 flat angles P-C4'-P energy: -99.093 tors. eta vs tors. theta energy: -150.269 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: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1970.146076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.146076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.146076 (E_RNA) where: Base-Base interactions energy: -1247.625 where: short stacking energy: -594.045 Base-Backbone interact. energy: -3.029 local terms energy: -719.491863 where: bonds (distance) C4'-P energy: -136.437 bonds (distance) P-C4' energy: -161.085 flat angles C4'-P-C4' energy: -167.727 flat angles P-C4'-P energy: -99.980 tors. eta vs tors. theta energy: -154.263 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: 38 Temperature: 1.100000 Total energy: -1838.451900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.451900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.451900 (E_RNA) where: Base-Base interactions energy: -1130.686 where: short stacking energy: -541.227 Base-Backbone interact. energy: -5.774 local terms energy: -701.991941 where: bonds (distance) C4'-P energy: -143.827 bonds (distance) P-C4' energy: -143.906 flat angles C4'-P-C4' energy: -171.945 flat angles P-C4'-P energy: -118.084 tors. eta vs tors. theta energy: -124.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1589.086405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.086405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.086405 (E_RNA) where: Base-Base interactions energy: -936.340 where: short stacking energy: -488.963 Base-Backbone interact. energy: -1.144 local terms energy: -651.601867 where: bonds (distance) C4'-P energy: -138.149 bonds (distance) P-C4' energy: -161.175 flat angles C4'-P-C4' energy: -148.335 flat angles P-C4'-P energy: -89.258 tors. eta vs tors. theta energy: -114.685 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: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1290.209586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.209586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.209586 (E_RNA) where: Base-Base interactions energy: -719.426 where: short stacking energy: -339.742 Base-Backbone interact. energy: -3.529 local terms energy: -567.254533 where: bonds (distance) C4'-P energy: -142.959 bonds (distance) P-C4' energy: -158.487 flat angles C4'-P-C4' energy: -152.566 flat angles P-C4'-P energy: -91.260 tors. eta vs tors. theta energy: -21.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1025.688281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.688281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.688281 (E_RNA) where: Base-Base interactions energy: -525.694 where: short stacking energy: -293.085 Base-Backbone interact. energy: -3.183 local terms energy: -496.810604 where: bonds (distance) C4'-P energy: -117.152 bonds (distance) P-C4' energy: -139.989 flat angles C4'-P-C4' energy: -126.859 flat angles P-C4'-P energy: -83.320 tors. eta vs tors. theta energy: -29.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -731.818161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.818161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.818161 (E_RNA) where: Base-Base interactions energy: -284.386 where: short stacking energy: -191.395 Base-Backbone interact. energy: -1.261 local terms energy: -446.171720 where: bonds (distance) C4'-P energy: -134.276 bonds (distance) P-C4' energy: -148.669 flat angles C4'-P-C4' energy: -118.040 flat angles P-C4'-P energy: -60.983 tors. eta vs tors. theta energy: 15.796 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: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -609.705826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.705826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.705826 (E_RNA) where: Base-Base interactions energy: -211.972 where: short stacking energy: -162.633 Base-Backbone interact. energy: 1.382 local terms energy: -399.115439 where: bonds (distance) C4'-P energy: -133.828 bonds (distance) P-C4' energy: -137.362 flat angles C4'-P-C4' energy: -114.800 flat angles P-C4'-P energy: -62.368 tors. eta vs tors. theta energy: 49.243 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: 9 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2422.742275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.742275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.742275 (E_RNA) where: Base-Base interactions energy: -1586.724 where: short stacking energy: -709.167 Base-Backbone interact. energy: 2.016 local terms energy: -838.034821 where: bonds (distance) C4'-P energy: -155.076 bonds (distance) P-C4' energy: -171.002 flat angles C4'-P-C4' energy: -190.652 flat angles P-C4'-P energy: -122.518 tors. eta vs tors. theta energy: -198.787 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: 7 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2356.306768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.306768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.306768 (E_RNA) where: Base-Base interactions energy: -1540.142 where: short stacking energy: -701.418 Base-Backbone interact. energy: 2.457 local terms energy: -818.621665 where: bonds (distance) C4'-P energy: -167.159 bonds (distance) P-C4' energy: -153.727 flat angles C4'-P-C4' energy: -190.201 flat angles P-C4'-P energy: -106.657 tors. eta vs tors. theta energy: -200.878 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: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2001.543340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.543340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.543340 (E_RNA) where: Base-Base interactions energy: -1260.962 where: short stacking energy: -553.647 Base-Backbone interact. energy: -5.467 local terms energy: -735.114430 where: bonds (distance) C4'-P energy: -166.827 bonds (distance) P-C4' energy: -168.833 flat angles C4'-P-C4' energy: -164.405 flat angles P-C4'-P energy: -101.080 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: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1995.398305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.398305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.398305 (E_RNA) where: Base-Base interactions energy: -1261.294 where: short stacking energy: -582.713 Base-Backbone interact. energy: 1.848 local terms energy: -735.952055 where: bonds (distance) C4'-P energy: -161.508 bonds (distance) P-C4' energy: -154.628 flat angles C4'-P-C4' energy: -163.329 flat angles P-C4'-P energy: -108.761 tors. eta vs tors. theta energy: -147.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1842.409815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.409815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.409815 (E_RNA) where: Base-Base interactions energy: -1176.023 where: short stacking energy: -543.311 Base-Backbone interact. energy: -3.170 local terms energy: -663.216850 where: bonds (distance) C4'-P energy: -142.987 bonds (distance) P-C4' energy: -156.167 flat angles C4'-P-C4' energy: -149.463 flat angles P-C4'-P energy: -74.565 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: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1655.644285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.644285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.644285 (E_RNA) where: Base-Base interactions energy: -978.630 where: short stacking energy: -495.584 Base-Backbone interact. energy: -0.013 local terms energy: -677.000535 where: bonds (distance) C4'-P energy: -161.507 bonds (distance) P-C4' energy: -155.171 flat angles C4'-P-C4' energy: -160.242 flat angles P-C4'-P energy: -90.161 tors. eta vs tors. theta energy: -109.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1294.571750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.571750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.571750 (E_RNA) where: Base-Base interactions energy: -757.475 where: short stacking energy: -338.484 Base-Backbone interact. energy: 1.934 local terms energy: -539.030266 where: bonds (distance) C4'-P energy: -134.621 bonds (distance) P-C4' energy: -147.193 flat angles C4'-P-C4' energy: -154.524 flat angles P-C4'-P energy: -61.430 tors. eta vs tors. theta energy: -41.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1078.566025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.566025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.566025 (E_RNA) where: Base-Base interactions energy: -585.760 where: short stacking energy: -295.655 Base-Backbone interact. energy: -2.349 local terms energy: -490.457666 where: bonds (distance) C4'-P energy: -121.347 bonds (distance) P-C4' energy: -148.753 flat angles C4'-P-C4' energy: -126.467 flat angles P-C4'-P energy: -81.183 tors. eta vs tors. theta energy: -12.708 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: 9, replica: 2 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -763.450334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.450334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.450334 (E_RNA) where: Base-Base interactions energy: -319.819 where: short stacking energy: -223.721 Base-Backbone interact. energy: 4.441 local terms energy: -448.072151 where: bonds (distance) C4'-P energy: -141.968 bonds (distance) P-C4' energy: -130.805 flat angles C4'-P-C4' energy: -134.436 flat angles P-C4'-P energy: -56.441 tors. eta vs tors. theta energy: 15.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -636.563219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.563219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.563219 (E_RNA) where: Base-Base interactions energy: -256.115 where: short stacking energy: -199.837 Base-Backbone interact. energy: -1.191 local terms energy: -379.257020 where: bonds (distance) C4'-P energy: -117.706 bonds (distance) P-C4' energy: -132.064 flat angles C4'-P-C4' energy: -103.961 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: 18.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2404.299838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.299838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.299838 (E_RNA) where: Base-Base interactions energy: -1594.783 where: short stacking energy: -736.703 Base-Backbone interact. energy: -3.672 local terms energy: -805.843963 where: bonds (distance) C4'-P energy: -157.386 bonds (distance) P-C4' energy: -165.403 flat angles C4'-P-C4' energy: -175.387 flat angles P-C4'-P energy: -112.920 tors. eta vs tors. theta energy: -194.747 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: 2, replica: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2388.784389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.784389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.784389 (E_RNA) where: Base-Base interactions energy: -1533.241 where: short stacking energy: -733.215 Base-Backbone interact. energy: -3.236 local terms energy: -852.307208 where: bonds (distance) C4'-P energy: -168.160 bonds (distance) P-C4' energy: -168.647 flat angles C4'-P-C4' energy: -175.842 flat angles P-C4'-P energy: -123.978 tors. eta vs tors. theta energy: -215.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1995.207726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.207726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.207726 (E_RNA) where: Base-Base interactions energy: -1272.012 where: short stacking energy: -568.271 Base-Backbone interact. energy: -3.601 local terms energy: -719.594384 where: bonds (distance) C4'-P energy: -165.368 bonds (distance) P-C4' energy: -159.144 flat angles C4'-P-C4' energy: -157.394 flat angles P-C4'-P energy: -99.883 tors. eta vs tors. theta energy: -137.804 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: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1943.312953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.312953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.312953 (E_RNA) where: Base-Base interactions energy: -1222.836 where: short stacking energy: -546.081 Base-Backbone interact. energy: 2.873 local terms energy: -723.350042 where: bonds (distance) C4'-P energy: -153.716 bonds (distance) P-C4' energy: -148.255 flat angles C4'-P-C4' energy: -168.828 flat angles P-C4'-P energy: -109.900 tors. eta vs tors. theta energy: -142.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1830.198538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.198538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.198538 (E_RNA) where: Base-Base interactions energy: -1125.314 where: short stacking energy: -525.097 Base-Backbone interact. energy: 1.041 local terms energy: -705.925067 where: bonds (distance) C4'-P energy: -146.087 bonds (distance) P-C4' energy: -173.020 flat angles C4'-P-C4' energy: -169.241 flat angles P-C4'-P energy: -84.410 tors. eta vs tors. theta energy: -133.168 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: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1600.787546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.787546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.787546 (E_RNA) where: Base-Base interactions energy: -993.073 where: short stacking energy: -486.905 Base-Backbone interact. energy: -2.465 local terms energy: -605.249641 where: bonds (distance) C4'-P energy: -130.103 bonds (distance) P-C4' energy: -134.608 flat angles C4'-P-C4' energy: -159.531 flat angles P-C4'-P energy: -88.064 tors. eta vs tors. theta energy: -92.944 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: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1273.326092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.326092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.326092 (E_RNA) where: Base-Base interactions energy: -698.606 where: short stacking energy: -361.591 Base-Backbone interact. energy: 1.726 local terms energy: -576.446280 where: bonds (distance) C4'-P energy: -154.576 bonds (distance) P-C4' energy: -151.865 flat angles C4'-P-C4' energy: -133.965 flat angles P-C4'-P energy: -80.325 tors. eta vs tors. theta energy: -55.715 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: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1089.965127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.965127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.965127 (E_RNA) where: Base-Base interactions energy: -535.735 where: short stacking energy: -315.197 Base-Backbone interact. energy: 0.987 local terms energy: -555.217320 where: bonds (distance) C4'-P energy: -129.004 bonds (distance) P-C4' energy: -153.407 flat angles C4'-P-C4' energy: -127.495 flat angles P-C4'-P energy: -96.814 tors. eta vs tors. theta energy: -48.497 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: 2 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -766.483016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.483016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.483016 (E_RNA) where: Base-Base interactions energy: -321.339 where: short stacking energy: -198.408 Base-Backbone interact. energy: -2.047 local terms energy: -443.096753 where: bonds (distance) C4'-P energy: -133.110 bonds (distance) P-C4' energy: -146.349 flat angles C4'-P-C4' energy: -106.788 flat angles P-C4'-P energy: -68.364 tors. eta vs tors. theta energy: 11.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -600.420069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.420069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.420069 (E_RNA) where: Base-Base interactions energy: -201.822 where: short stacking energy: -163.928 Base-Backbone interact. energy: -2.408 local terms energy: -396.190090 where: bonds (distance) C4'-P energy: -130.908 bonds (distance) P-C4' energy: -123.534 flat angles C4'-P-C4' energy: -111.815 flat angles P-C4'-P energy: -72.898 tors. eta vs tors. theta energy: 42.966 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: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2403.865295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.865295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.865295 (E_RNA) where: Base-Base interactions energy: -1565.378 where: short stacking energy: -696.951 Base-Backbone interact. energy: -1.593 local terms energy: -836.894367 where: bonds (distance) C4'-P energy: -165.067 bonds (distance) P-C4' energy: -173.014 flat angles C4'-P-C4' energy: -178.850 flat angles P-C4'-P energy: -120.635 tors. eta vs tors. theta energy: -199.328 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: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2354.140744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.140744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.140744 (E_RNA) where: Base-Base interactions energy: -1586.373 where: short stacking energy: -697.203 Base-Backbone interact. energy: -0.371 local terms energy: -767.397196 where: bonds (distance) C4'-P energy: -144.486 bonds (distance) P-C4' energy: -160.759 flat angles C4'-P-C4' energy: -167.405 flat angles P-C4'-P energy: -112.727 tors. eta vs tors. theta energy: -182.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1988.592553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.592553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.592553 (E_RNA) where: Base-Base interactions energy: -1231.645 where: short stacking energy: -591.222 Base-Backbone interact. energy: -0.208 local terms energy: -756.740115 where: bonds (distance) C4'-P energy: -152.714 bonds (distance) P-C4' energy: -165.022 flat angles C4'-P-C4' energy: -181.548 flat angles P-C4'-P energy: -107.965 tors. eta vs tors. theta energy: -149.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1994.550832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.550832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.550832 (E_RNA) where: Base-Base interactions energy: -1241.066 where: short stacking energy: -569.904 Base-Backbone interact. energy: -0.515 local terms energy: -752.969699 where: bonds (distance) C4'-P energy: -159.899 bonds (distance) P-C4' energy: -153.983 flat angles C4'-P-C4' energy: -172.976 flat angles P-C4'-P energy: -119.610 tors. eta vs tors. theta energy: -146.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1867.748768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.748768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.748768 (E_RNA) where: Base-Base interactions energy: -1191.931 where: short stacking energy: -549.052 Base-Backbone interact. energy: 0.521 local terms energy: -676.338167 where: bonds (distance) C4'-P energy: -145.390 bonds (distance) P-C4' energy: -173.048 flat angles C4'-P-C4' energy: -158.657 flat angles P-C4'-P energy: -86.294 tors. eta vs tors. theta energy: -112.949 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: 41 Temperature: 1.150000 Total energy: -1615.504675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.504675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.504675 (E_RNA) where: Base-Base interactions energy: -969.118 where: short stacking energy: -486.815 Base-Backbone interact. energy: -4.267 local terms energy: -642.119548 where: bonds (distance) C4'-P energy: -140.748 bonds (distance) P-C4' energy: -134.805 flat angles C4'-P-C4' energy: -168.428 flat angles P-C4'-P energy: -92.595 tors. eta vs tors. theta energy: -105.544 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: 7, replica: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1279.348199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.348199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.348199 (E_RNA) where: Base-Base interactions energy: -727.449 where: short stacking energy: -338.345 Base-Backbone interact. energy: -0.481 local terms energy: -551.418456 where: bonds (distance) C4'-P energy: -152.346 bonds (distance) P-C4' energy: -163.762 flat angles C4'-P-C4' energy: -120.734 flat angles P-C4'-P energy: -80.098 tors. eta vs tors. theta energy: -34.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1090.274518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.274518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.274518 (E_RNA) where: Base-Base interactions energy: -592.521 where: short stacking energy: -305.137 Base-Backbone interact. energy: -0.615 local terms energy: -497.138708 where: bonds (distance) C4'-P energy: -126.726 bonds (distance) P-C4' energy: -146.484 flat angles C4'-P-C4' energy: -119.347 flat angles P-C4'-P energy: -79.215 tors. eta vs tors. theta energy: -25.367 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: 2 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -809.811975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.811975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.811975 (E_RNA) where: Base-Base interactions energy: -380.809 where: short stacking energy: -251.560 Base-Backbone interact. energy: 1.803 local terms energy: -430.805449 where: bonds (distance) C4'-P energy: -135.753 bonds (distance) P-C4' energy: -117.407 flat angles C4'-P-C4' energy: -110.896 flat angles P-C4'-P energy: -64.568 tors. eta vs tors. theta energy: -2.181 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: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -598.838546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.838546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.838546 (E_RNA) where: Base-Base interactions energy: -206.204 where: short stacking energy: -150.011 Base-Backbone interact. energy: 13.554 local terms energy: -406.188657 where: bonds (distance) C4'-P energy: -132.578 bonds (distance) P-C4' energy: -142.200 flat angles C4'-P-C4' energy: -103.964 flat angles P-C4'-P energy: -57.682 tors. eta vs tors. theta energy: 30.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2463.413723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.413723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.413723 (E_RNA) where: Base-Base interactions energy: -1598.183 where: short stacking energy: -728.222 Base-Backbone interact. energy: -5.422 local terms energy: -859.808486 where: bonds (distance) C4'-P energy: -158.004 bonds (distance) P-C4' energy: -168.849 flat angles C4'-P-C4' energy: -195.573 flat angles P-C4'-P energy: -123.977 tors. eta vs tors. theta energy: -213.405 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: 2, replica: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2396.108645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.108645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.108645 (E_RNA) where: Base-Base interactions energy: -1586.649 where: short stacking energy: -687.675 Base-Backbone interact. energy: -0.666 local terms energy: -808.793855 where: bonds (distance) C4'-P energy: -163.062 bonds (distance) P-C4' energy: -158.471 flat angles C4'-P-C4' energy: -179.251 flat angles P-C4'-P energy: -109.661 tors. eta vs tors. theta energy: -198.349 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: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2136.417214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.417214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.417214 (E_RNA) where: Base-Base interactions energy: -1348.904 where: short stacking energy: -631.571 Base-Backbone interact. energy: -1.056 local terms energy: -786.457269 where: bonds (distance) C4'-P energy: -162.014 bonds (distance) P-C4' energy: -164.429 flat angles C4'-P-C4' energy: -185.660 flat angles P-C4'-P energy: -114.531 tors. eta vs tors. theta energy: -159.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1928.058398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.058398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.058398 (E_RNA) where: Base-Base interactions energy: -1216.244 where: short stacking energy: -603.540 Base-Backbone interact. energy: 3.335 local terms energy: -715.148946 where: bonds (distance) C4'-P energy: -154.843 bonds (distance) P-C4' energy: -155.056 flat angles C4'-P-C4' energy: -156.042 flat angles P-C4'-P energy: -86.929 tors. eta vs tors. theta energy: -162.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1881.139726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.139726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.139726 (E_RNA) where: Base-Base interactions energy: -1184.955 where: short stacking energy: -531.056 Base-Backbone interact. energy: -2.297 local terms energy: -693.887688 where: bonds (distance) C4'-P energy: -145.197 bonds (distance) P-C4' energy: -163.895 flat angles C4'-P-C4' energy: -147.854 flat angles P-C4'-P energy: -105.983 tors. eta vs tors. theta energy: -130.959 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: 3 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1644.572011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.572011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.572011 (E_RNA) where: Base-Base interactions energy: -985.205 where: short stacking energy: -470.870 Base-Backbone interact. energy: -4.010 local terms energy: -655.357466 where: bonds (distance) C4'-P energy: -140.610 bonds (distance) P-C4' energy: -152.938 flat angles C4'-P-C4' energy: -155.163 flat angles P-C4'-P energy: -107.973 tors. eta vs tors. theta energy: -98.673 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: 5 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1302.009161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.009161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.009161 (E_RNA) where: Base-Base interactions energy: -720.452 where: short stacking energy: -375.769 Base-Backbone interact. energy: -1.647 local terms energy: -579.910273 where: bonds (distance) C4'-P energy: -128.269 bonds (distance) P-C4' energy: -172.387 flat angles C4'-P-C4' energy: -150.452 flat angles P-C4'-P energy: -72.487 tors. eta vs tors. theta energy: -56.316 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: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1066.067967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.067967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.067967 (E_RNA) where: Base-Base interactions energy: -563.477 where: short stacking energy: -335.831 Base-Backbone interact. energy: 3.072 local terms energy: -505.663520 where: bonds (distance) C4'-P energy: -128.218 bonds (distance) P-C4' energy: -147.064 flat angles C4'-P-C4' energy: -133.905 flat angles P-C4'-P energy: -70.707 tors. eta vs tors. theta energy: -25.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -677.887571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.887571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.887571 (E_RNA) where: Base-Base interactions energy: -247.511 where: short stacking energy: -188.093 Base-Backbone interact. energy: 3.669 local terms energy: -434.045679 where: bonds (distance) C4'-P energy: -131.854 bonds (distance) P-C4' energy: -145.617 flat angles C4'-P-C4' energy: -133.991 flat angles P-C4'-P energy: -60.069 tors. eta vs tors. theta energy: 37.486 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: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -602.158578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.158578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.158578 (E_RNA) where: Base-Base interactions energy: -206.613 where: short stacking energy: -160.812 Base-Backbone interact. energy: 7.010 local terms energy: -402.555614 where: bonds (distance) C4'-P energy: -131.042 bonds (distance) P-C4' energy: -120.258 flat angles C4'-P-C4' energy: -127.397 flat angles P-C4'-P energy: -42.312 tors. eta vs tors. theta energy: 18.454 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: 9 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2450.468540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.468540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.468540 (E_RNA) where: Base-Base interactions energy: -1585.407 where: short stacking energy: -734.940 Base-Backbone interact. energy: -1.381 local terms energy: -863.680906 where: bonds (distance) C4'-P energy: -175.404 bonds (distance) P-C4' energy: -165.803 flat angles C4'-P-C4' energy: -180.831 flat angles P-C4'-P energy: -130.729 tors. eta vs tors. theta energy: -210.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2447.666049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.666049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.666049 (E_RNA) where: Base-Base interactions energy: -1635.478 where: short stacking energy: -700.882 Base-Backbone interact. energy: 0.467 local terms energy: -812.654832 where: bonds (distance) C4'-P energy: -155.871 bonds (distance) P-C4' energy: -156.278 flat angles C4'-P-C4' energy: -184.069 flat angles P-C4'-P energy: -115.813 tors. eta vs tors. theta energy: -200.623 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: 43 Temperature: 1.000000 Total energy: -2199.205957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.205957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.205957 (E_RNA) where: Base-Base interactions energy: -1430.818 where: short stacking energy: -649.578 Base-Backbone interact. energy: 1.817 local terms energy: -770.205467 where: bonds (distance) C4'-P energy: -150.225 bonds (distance) P-C4' energy: -163.571 flat angles C4'-P-C4' energy: -175.064 flat angles P-C4'-P energy: -109.024 tors. eta vs tors. theta energy: -172.321 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: 6 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1878.294104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.294104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.294104 (E_RNA) where: Base-Base interactions energy: -1189.142 where: short stacking energy: -570.900 Base-Backbone interact. energy: -1.079 local terms energy: -688.073794 where: bonds (distance) C4'-P energy: -149.286 bonds (distance) P-C4' energy: -141.417 flat angles C4'-P-C4' energy: -156.336 flat angles P-C4'-P energy: -92.691 tors. eta vs tors. theta energy: -148.343 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: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1834.914923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.914923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.914923 (E_RNA) where: Base-Base interactions energy: -1131.230 where: short stacking energy: -543.152 Base-Backbone interact. energy: 0.035 local terms energy: -703.719505 where: bonds (distance) C4'-P energy: -153.158 bonds (distance) P-C4' energy: -149.473 flat angles C4'-P-C4' energy: -161.793 flat angles P-C4'-P energy: -103.738 tors. eta vs tors. theta energy: -135.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1665.983230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.983230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.983230 (E_RNA) where: Base-Base interactions energy: -1035.799 where: short stacking energy: -457.200 Base-Backbone interact. energy: -0.297 local terms energy: -629.886584 where: bonds (distance) C4'-P energy: -153.559 bonds (distance) P-C4' energy: -138.711 flat angles C4'-P-C4' energy: -155.024 flat angles P-C4'-P energy: -82.808 tors. eta vs tors. theta energy: -99.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1297.252711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.252711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.252711 (E_RNA) where: Base-Base interactions energy: -715.730 where: short stacking energy: -391.947 Base-Backbone interact. energy: 2.376 local terms energy: -583.898167 where: bonds (distance) C4'-P energy: -146.384 bonds (distance) P-C4' energy: -159.627 flat angles C4'-P-C4' energy: -127.752 flat angles P-C4'-P energy: -92.611 tors. eta vs tors. theta energy: -57.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1121.405354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.405354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.405354 (E_RNA) where: Base-Base interactions energy: -627.258 where: short stacking energy: -304.184 Base-Backbone interact. energy: -2.634 local terms energy: -491.513464 where: bonds (distance) C4'-P energy: -126.423 bonds (distance) P-C4' energy: -148.820 flat angles C4'-P-C4' energy: -116.773 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -29.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -743.447325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.447325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.447325 (E_RNA) where: Base-Base interactions energy: -292.932 where: short stacking energy: -203.175 Base-Backbone interact. energy: -1.359 local terms energy: -449.156299 where: bonds (distance) C4'-P energy: -133.678 bonds (distance) P-C4' energy: -134.942 flat angles C4'-P-C4' energy: -119.582 flat angles P-C4'-P energy: -72.544 tors. eta vs tors. theta energy: 11.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -613.197274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.197274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.197274 (E_RNA) where: Base-Base interactions energy: -209.012 where: short stacking energy: -171.694 Base-Backbone interact. energy: 1.968 local terms energy: -406.153237 where: bonds (distance) C4'-P energy: -130.861 bonds (distance) P-C4' energy: -136.720 flat angles C4'-P-C4' energy: -108.187 flat angles P-C4'-P energy: -65.899 tors. eta vs tors. theta energy: 35.513 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: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2531.221049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.221049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.221049 (E_RNA) where: Base-Base interactions energy: -1673.720 where: short stacking energy: -760.294 Base-Backbone interact. energy: -4.317 local terms energy: -853.184627 where: bonds (distance) C4'-P energy: -185.991 bonds (distance) P-C4' energy: -163.953 flat angles C4'-P-C4' energy: -181.053 flat angles P-C4'-P energy: -117.891 tors. eta vs tors. theta energy: -204.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2414.907106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.907106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.907106 (E_RNA) where: Base-Base interactions energy: -1591.894 where: short stacking energy: -736.341 Base-Backbone interact. energy: -1.227 local terms energy: -821.786620 where: bonds (distance) C4'-P energy: -159.102 bonds (distance) P-C4' energy: -166.797 flat angles C4'-P-C4' energy: -168.168 flat angles P-C4'-P energy: -113.109 tors. eta vs tors. theta energy: -214.611 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: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2142.314016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.314016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.314016 (E_RNA) where: Base-Base interactions energy: -1383.663 where: short stacking energy: -648.384 Base-Backbone interact. energy: -1.725 local terms energy: -756.925939 where: bonds (distance) C4'-P energy: -158.465 bonds (distance) P-C4' energy: -159.339 flat angles C4'-P-C4' energy: -162.235 flat angles P-C4'-P energy: -117.067 tors. eta vs tors. theta energy: -159.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1864.815953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.815953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.815953 (E_RNA) where: Base-Base interactions energy: -1159.951 where: short stacking energy: -557.396 Base-Backbone interact. energy: -3.281 local terms energy: -701.583740 where: bonds (distance) C4'-P energy: -145.961 bonds (distance) P-C4' energy: -156.052 flat angles C4'-P-C4' energy: -157.654 flat angles P-C4'-P energy: -114.945 tors. eta vs tors. theta energy: -126.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1881.382527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.382527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.382527 (E_RNA) where: Base-Base interactions energy: -1190.846 where: short stacking energy: -543.493 Base-Backbone interact. energy: 5.930 local terms energy: -696.465919 where: bonds (distance) C4'-P energy: -163.616 bonds (distance) P-C4' energy: -135.936 flat angles C4'-P-C4' energy: -165.745 flat angles P-C4'-P energy: -108.401 tors. eta vs tors. theta energy: -122.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1649.527218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.527218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.527218 (E_RNA) where: Base-Base interactions energy: -1036.409 where: short stacking energy: -472.547 Base-Backbone interact. energy: -2.548 local terms energy: -610.569798 where: bonds (distance) C4'-P energy: -140.820 bonds (distance) P-C4' energy: -146.689 flat angles C4'-P-C4' energy: -145.259 flat angles P-C4'-P energy: -76.817 tors. eta vs tors. theta energy: -100.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1387.157552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.157552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.157552 (E_RNA) where: Base-Base interactions energy: -829.135 where: short stacking energy: -414.713 Base-Backbone interact. energy: 3.077 local terms energy: -561.099864 where: bonds (distance) C4'-P energy: -153.974 bonds (distance) P-C4' energy: -155.706 flat angles C4'-P-C4' energy: -120.352 flat angles P-C4'-P energy: -71.357 tors. eta vs tors. theta energy: -59.711 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: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1110.405589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.405589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.405589 (E_RNA) where: Base-Base interactions energy: -619.408 where: short stacking energy: -344.192 Base-Backbone interact. energy: -1.700 local terms energy: -489.297664 where: bonds (distance) C4'-P energy: -126.690 bonds (distance) P-C4' energy: -138.593 flat angles C4'-P-C4' energy: -124.223 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -24.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -712.541163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.541163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.541163 (E_RNA) where: Base-Base interactions energy: -286.847 where: short stacking energy: -211.901 Base-Backbone interact. energy: 1.592 local terms energy: -427.286297 where: bonds (distance) C4'-P energy: -131.991 bonds (distance) P-C4' energy: -144.847 flat angles C4'-P-C4' energy: -116.393 flat angles P-C4'-P energy: -56.046 tors. eta vs tors. theta energy: 21.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -610.853154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.853154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.853154 (E_RNA) where: Base-Base interactions energy: -205.462 where: short stacking energy: -174.759 Base-Backbone interact. energy: 1.076 local terms energy: -406.467005 where: bonds (distance) C4'-P energy: -122.180 bonds (distance) P-C4' energy: -135.055 flat angles C4'-P-C4' energy: -107.791 flat angles P-C4'-P energy: -66.280 tors. eta vs tors. theta energy: 24.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2537.735881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.735881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.735881 (E_RNA) where: Base-Base interactions energy: -1682.937 where: short stacking energy: -760.307 Base-Backbone interact. energy: -1.531 local terms energy: -853.267755 where: bonds (distance) C4'-P energy: -151.343 bonds (distance) P-C4' energy: -180.768 flat angles C4'-P-C4' energy: -167.696 flat angles P-C4'-P energy: -127.440 tors. eta vs tors. theta energy: -226.020 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: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2387.962673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.962673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.962673 (E_RNA) where: Base-Base interactions energy: -1556.158 where: short stacking energy: -708.167 Base-Backbone interact. energy: -2.778 local terms energy: -829.026751 where: bonds (distance) C4'-P energy: -152.639 bonds (distance) P-C4' energy: -170.757 flat angles C4'-P-C4' energy: -182.586 flat angles P-C4'-P energy: -124.104 tors. eta vs tors. theta energy: -198.941 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: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2175.099178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.099178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.099178 (E_RNA) where: Base-Base interactions energy: -1376.332 where: short stacking energy: -645.478 Base-Backbone interact. energy: -4.174 local terms energy: -794.593416 where: bonds (distance) C4'-P energy: -157.923 bonds (distance) P-C4' energy: -165.198 flat angles C4'-P-C4' energy: -174.066 flat angles P-C4'-P energy: -126.384 tors. eta vs tors. theta energy: -171.022 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: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1882.846177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.846177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.846177 (E_RNA) where: Base-Base interactions energy: -1187.995 where: short stacking energy: -545.449 Base-Backbone interact. energy: 0.996 local terms energy: -695.846627 where: bonds (distance) C4'-P energy: -151.053 bonds (distance) P-C4' energy: -124.385 flat angles C4'-P-C4' energy: -163.594 flat angles P-C4'-P energy: -113.836 tors. eta vs tors. theta energy: -142.979 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: 5, replica: 1 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1822.740836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.740836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.740836 (E_RNA) where: Base-Base interactions energy: -1162.122 where: short stacking energy: -549.252 Base-Backbone interact. energy: -3.337 local terms energy: -657.281751 where: bonds (distance) C4'-P energy: -132.547 bonds (distance) P-C4' energy: -136.596 flat angles C4'-P-C4' energy: -159.212 flat angles P-C4'-P energy: -92.822 tors. eta vs tors. theta energy: -136.106 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: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1585.151705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.151705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.151705 (E_RNA) where: Base-Base interactions energy: -931.840 where: short stacking energy: -440.882 Base-Backbone interact. energy: -5.460 local terms energy: -647.852086 where: bonds (distance) C4'-P energy: -142.491 bonds (distance) P-C4' energy: -147.299 flat angles C4'-P-C4' energy: -165.320 flat angles P-C4'-P energy: -94.098 tors. eta vs tors. theta energy: -98.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1322.622809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.622809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.622809 (E_RNA) where: Base-Base interactions energy: -774.194 where: short stacking energy: -369.882 Base-Backbone interact. energy: 1.377 local terms energy: -549.805592 where: bonds (distance) C4'-P energy: -147.294 bonds (distance) P-C4' energy: -134.322 flat angles C4'-P-C4' energy: -139.837 flat angles P-C4'-P energy: -80.469 tors. eta vs tors. theta energy: -47.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1148.580449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.580449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.580449 (E_RNA) where: Base-Base interactions energy: -597.678 where: short stacking energy: -331.772 Base-Backbone interact. energy: -0.428 local terms energy: -550.474090 where: bonds (distance) C4'-P energy: -137.237 bonds (distance) P-C4' energy: -147.055 flat angles C4'-P-C4' energy: -137.348 flat angles P-C4'-P energy: -82.250 tors. eta vs tors. theta energy: -46.584 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: 2 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -783.563050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.563050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.563050 (E_RNA) where: Base-Base interactions energy: -334.992 where: short stacking energy: -228.602 Base-Backbone interact. energy: -1.881 local terms energy: -446.690043 where: bonds (distance) C4'-P energy: -149.728 bonds (distance) P-C4' energy: -147.200 flat angles C4'-P-C4' energy: -96.077 flat angles P-C4'-P energy: -56.773 tors. eta vs tors. theta energy: 3.089 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: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -681.627003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.627003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.627003 (E_RNA) where: Base-Base interactions energy: -260.816 where: short stacking energy: -196.373 Base-Backbone interact. energy: -2.338 local terms energy: -418.473172 where: bonds (distance) C4'-P energy: -124.703 bonds (distance) P-C4' energy: -131.597 flat angles C4'-P-C4' energy: -130.645 flat angles P-C4'-P energy: -58.029 tors. eta vs tors. theta energy: 26.500 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: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2546.995411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.995411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.995411 (E_RNA) where: Base-Base interactions energy: -1674.463 where: short stacking energy: -754.037 Base-Backbone interact. energy: -3.988 local terms energy: -868.544276 where: bonds (distance) C4'-P energy: -186.307 bonds (distance) P-C4' energy: -161.859 flat angles C4'-P-C4' energy: -197.428 flat angles P-C4'-P energy: -120.500 tors. eta vs tors. theta energy: -202.450 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: 9 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2376.313022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.313022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.313022 (E_RNA) where: Base-Base interactions energy: -1542.259 where: short stacking energy: -714.350 Base-Backbone interact. energy: -1.230 local terms energy: -832.823590 where: bonds (distance) C4'-P energy: -178.627 bonds (distance) P-C4' energy: -166.540 flat angles C4'-P-C4' energy: -174.817 flat angles P-C4'-P energy: -115.370 tors. eta vs tors. theta energy: -197.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2219.887086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.887086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.887086 (E_RNA) where: Base-Base interactions energy: -1458.384 where: short stacking energy: -675.537 Base-Backbone interact. energy: -3.004 local terms energy: -758.498960 where: bonds (distance) C4'-P energy: -129.917 bonds (distance) P-C4' energy: -150.812 flat angles C4'-P-C4' energy: -178.356 flat angles P-C4'-P energy: -112.386 tors. eta vs tors. theta energy: -187.027 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: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1924.139082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.139082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.139082 (E_RNA) where: Base-Base interactions energy: -1231.319 where: short stacking energy: -540.880 Base-Backbone interact. energy: 0.552 local terms energy: -693.371705 where: bonds (distance) C4'-P energy: -162.973 bonds (distance) P-C4' energy: -158.918 flat angles C4'-P-C4' energy: -154.546 flat angles P-C4'-P energy: -84.637 tors. eta vs tors. theta energy: -132.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1893.845558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.845558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.845558 (E_RNA) where: Base-Base interactions energy: -1197.286 where: short stacking energy: -573.336 Base-Backbone interact. energy: -2.086 local terms energy: -694.473930 where: bonds (distance) C4'-P energy: -133.034 bonds (distance) P-C4' energy: -147.066 flat angles C4'-P-C4' energy: -172.308 flat angles P-C4'-P energy: -94.735 tors. eta vs tors. theta energy: -147.331 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: 46 Temperature: 1.150000 Total energy: -1662.431622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.431622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.431622 (E_RNA) where: Base-Base interactions energy: -1030.201 where: short stacking energy: -455.832 Base-Backbone interact. energy: -0.512 local terms energy: -631.718642 where: bonds (distance) C4'-P energy: -152.660 bonds (distance) P-C4' energy: -163.274 flat angles C4'-P-C4' energy: -143.706 flat angles P-C4'-P energy: -77.270 tors. eta vs tors. theta energy: -94.808 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: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1323.488639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.488639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.488639 (E_RNA) where: Base-Base interactions energy: -746.227 where: short stacking energy: -378.174 Base-Backbone interact. energy: 2.941 local terms energy: -580.203190 where: bonds (distance) C4'-P energy: -142.990 bonds (distance) P-C4' energy: -162.087 flat angles C4'-P-C4' energy: -124.745 flat angles P-C4'-P energy: -87.723 tors. eta vs tors. theta energy: -62.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1184.201576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.201576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.201576 (E_RNA) where: Base-Base interactions energy: -659.708 where: short stacking energy: -364.795 Base-Backbone interact. energy: 8.389 local terms energy: -532.882638 where: bonds (distance) C4'-P energy: -143.849 bonds (distance) P-C4' energy: -128.220 flat angles C4'-P-C4' energy: -145.024 flat angles P-C4'-P energy: -71.418 tors. eta vs tors. theta energy: -44.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -759.172594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.172594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.172594 (E_RNA) where: Base-Base interactions energy: -311.489 where: short stacking energy: -211.208 Base-Backbone interact. energy: -0.602 local terms energy: -447.081069 where: bonds (distance) C4'-P energy: -136.502 bonds (distance) P-C4' energy: -147.198 flat angles C4'-P-C4' energy: -113.256 flat angles P-C4'-P energy: -70.235 tors. eta vs tors. theta energy: 20.110 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: 10, replica: 2 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -654.720099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.720099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.720099 (E_RNA) where: Base-Base interactions energy: -263.302 where: short stacking energy: -173.586 Base-Backbone interact. energy: -0.228 local terms energy: -391.189608 where: bonds (distance) C4'-P energy: -135.206 bonds (distance) P-C4' energy: -134.344 flat angles C4'-P-C4' energy: -92.501 flat angles P-C4'-P energy: -67.573 tors. eta vs tors. theta energy: 38.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2529.114104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.114104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.114104 (E_RNA) where: Base-Base interactions energy: -1688.607 where: short stacking energy: -760.470 Base-Backbone interact. energy: -3.763 local terms energy: -836.743506 where: bonds (distance) C4'-P energy: -169.241 bonds (distance) P-C4' energy: -172.213 flat angles C4'-P-C4' energy: -172.174 flat angles P-C4'-P energy: -116.546 tors. eta vs tors. theta energy: -206.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2400.209980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.209980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.209980 (E_RNA) where: Base-Base interactions energy: -1563.023 where: short stacking energy: -716.857 Base-Backbone interact. energy: -0.670 local terms energy: -836.516726 where: bonds (distance) C4'-P energy: -166.984 bonds (distance) P-C4' energy: -158.538 flat angles C4'-P-C4' energy: -180.475 flat angles P-C4'-P energy: -124.672 tors. eta vs tors. theta energy: -205.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2254.183064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.183064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.183064 (E_RNA) where: Base-Base interactions energy: -1449.723 where: short stacking energy: -659.493 Base-Backbone interact. energy: -3.522 local terms energy: -800.937925 where: bonds (distance) C4'-P energy: -153.210 bonds (distance) P-C4' energy: -158.619 flat angles C4'-P-C4' energy: -181.273 flat angles P-C4'-P energy: -121.884 tors. eta vs tors. theta energy: -185.952 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: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1908.980095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.980095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.980095 (E_RNA) where: Base-Base interactions energy: -1203.493 where: short stacking energy: -575.194 Base-Backbone interact. energy: -0.320 local terms energy: -705.167111 where: bonds (distance) C4'-P energy: -149.822 bonds (distance) P-C4' energy: -144.812 flat angles C4'-P-C4' energy: -167.641 flat angles P-C4'-P energy: -98.517 tors. eta vs tors. theta energy: -144.376 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: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1879.133107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.133107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.133107 (E_RNA) where: Base-Base interactions energy: -1159.458 where: short stacking energy: -529.514 Base-Backbone interact. energy: -0.818 local terms energy: -718.856985 where: bonds (distance) C4'-P energy: -174.776 bonds (distance) P-C4' energy: -132.446 flat angles C4'-P-C4' energy: -172.096 flat angles P-C4'-P energy: -113.839 tors. eta vs tors. theta energy: -125.700 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: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1704.241232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.241232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.241232 (E_RNA) where: Base-Base interactions energy: -1060.723 where: short stacking energy: -489.471 Base-Backbone interact. energy: -4.817 local terms energy: -638.701780 where: bonds (distance) C4'-P energy: -131.955 bonds (distance) P-C4' energy: -158.790 flat angles C4'-P-C4' energy: -148.202 flat angles P-C4'-P energy: -95.044 tors. eta vs tors. theta energy: -104.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1244.730834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.730834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.730834 (E_RNA) where: Base-Base interactions energy: -694.691 where: short stacking energy: -331.269 Base-Backbone interact. energy: -2.983 local terms energy: -547.056732 where: bonds (distance) C4'-P energy: -126.064 bonds (distance) P-C4' energy: -157.118 flat angles C4'-P-C4' energy: -135.071 flat angles P-C4'-P energy: -101.519 tors. eta vs tors. theta energy: -27.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1130.445811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.445811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.445811 (E_RNA) where: Base-Base interactions energy: -637.567 where: short stacking energy: -356.457 Base-Backbone interact. energy: 1.271 local terms energy: -494.149824 where: bonds (distance) C4'-P energy: -142.825 bonds (distance) P-C4' energy: -133.731 flat angles C4'-P-C4' energy: -112.229 flat angles P-C4'-P energy: -62.116 tors. eta vs tors. theta energy: -43.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -765.502433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.502433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.502433 (E_RNA) where: Base-Base interactions energy: -314.762 where: short stacking energy: -236.003 Base-Backbone interact. energy: -0.697 local terms energy: -450.043416 where: bonds (distance) C4'-P energy: -118.522 bonds (distance) P-C4' energy: -154.963 flat angles C4'-P-C4' energy: -104.731 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -11.166 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: 2 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -684.751557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.751557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.751557 (E_RNA) where: Base-Base interactions energy: -282.403 where: short stacking energy: -199.197 Base-Backbone interact. energy: 1.134 local terms energy: -403.482601 where: bonds (distance) C4'-P energy: -115.046 bonds (distance) P-C4' energy: -137.388 flat angles C4'-P-C4' energy: -109.036 flat angles P-C4'-P energy: -57.672 tors. eta vs tors. theta energy: 15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2550.650936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.650936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.650936 (E_RNA) where: Base-Base interactions energy: -1685.633 where: short stacking energy: -717.387 Base-Backbone interact. energy: -2.630 local terms energy: -862.387412 where: bonds (distance) C4'-P energy: -171.809 bonds (distance) P-C4' energy: -173.476 flat angles C4'-P-C4' energy: -180.451 flat angles P-C4'-P energy: -127.174 tors. eta vs tors. theta energy: -209.478 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: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2460.429145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.429145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.429145 (E_RNA) where: Base-Base interactions energy: -1609.200 where: short stacking energy: -717.691 Base-Backbone interact. energy: -4.534 local terms energy: -846.694766 where: bonds (distance) C4'-P energy: -167.986 bonds (distance) P-C4' energy: -170.858 flat angles C4'-P-C4' energy: -178.440 flat angles P-C4'-P energy: -112.649 tors. eta vs tors. theta energy: -216.761 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: 48 Temperature: 1.000000 Total energy: -2217.245219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.245219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.245219 (E_RNA) where: Base-Base interactions energy: -1414.067 where: short stacking energy: -695.696 Base-Backbone interact. energy: 0.464 local terms energy: -803.642188 where: bonds (distance) C4'-P energy: -155.270 bonds (distance) P-C4' energy: -154.552 flat angles C4'-P-C4' energy: -179.154 flat angles P-C4'-P energy: -115.726 tors. eta vs tors. theta energy: -198.941 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: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1919.073513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.073513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.073513 (E_RNA) where: Base-Base interactions energy: -1191.543 where: short stacking energy: -529.809 Base-Backbone interact. energy: -1.105 local terms energy: -726.425572 where: bonds (distance) C4'-P energy: -169.352 bonds (distance) P-C4' energy: -158.876 flat angles C4'-P-C4' energy: -158.036 flat angles P-C4'-P energy: -104.901 tors. eta vs tors. theta energy: -135.262 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: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1957.895025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.895025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.895025 (E_RNA) where: Base-Base interactions energy: -1251.974 where: short stacking energy: -564.063 Base-Backbone interact. energy: -1.655 local terms energy: -704.265638 where: bonds (distance) C4'-P energy: -153.165 bonds (distance) P-C4' energy: -137.415 flat angles C4'-P-C4' energy: -170.316 flat angles P-C4'-P energy: -102.378 tors. eta vs tors. theta energy: -140.991 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: 6, replica: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1731.065260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.065260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.065260 (E_RNA) where: Base-Base interactions energy: -1063.112 where: short stacking energy: -482.101 Base-Backbone interact. energy: -2.796 local terms energy: -665.156455 where: bonds (distance) C4'-P energy: -149.503 bonds (distance) P-C4' energy: -158.330 flat angles C4'-P-C4' energy: -149.202 flat angles P-C4'-P energy: -105.079 tors. eta vs tors. theta energy: -103.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1234.192122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.192122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.192122 (E_RNA) where: Base-Base interactions energy: -637.121 where: short stacking energy: -379.679 Base-Backbone interact. energy: 3.281 local terms energy: -600.352304 where: bonds (distance) C4'-P energy: -146.849 bonds (distance) P-C4' energy: -144.337 flat angles C4'-P-C4' energy: -144.116 flat angles P-C4'-P energy: -102.915 tors. eta vs tors. theta energy: -62.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1171.161308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.161308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.161308 (E_RNA) where: Base-Base interactions energy: -672.980 where: short stacking energy: -325.543 Base-Backbone interact. energy: -2.916 local terms energy: -495.264990 where: bonds (distance) C4'-P energy: -141.681 bonds (distance) P-C4' energy: -138.303 flat angles C4'-P-C4' energy: -135.113 flat angles P-C4'-P energy: -66.363 tors. eta vs tors. theta energy: -13.806 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: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -721.092551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.092551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.092551 (E_RNA) where: Base-Base interactions energy: -277.752 where: short stacking energy: -198.449 Base-Backbone interact. energy: -3.355 local terms energy: -439.985105 where: bonds (distance) C4'-P energy: -129.738 bonds (distance) P-C4' energy: -130.216 flat angles C4'-P-C4' energy: -124.070 flat angles P-C4'-P energy: -72.476 tors. eta vs tors. theta energy: 16.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -624.117602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.117602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.117602 (E_RNA) where: Base-Base interactions energy: -187.006 where: short stacking energy: -149.047 Base-Backbone interact. energy: -0.798 local terms energy: -436.313487 where: bonds (distance) C4'-P energy: -118.955 bonds (distance) P-C4' energy: -164.831 flat angles C4'-P-C4' energy: -103.207 flat angles P-C4'-P energy: -82.792 tors. eta vs tors. theta energy: 33.471 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: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2587.680582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.680582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.680582 (E_RNA) where: Base-Base interactions energy: -1720.028 where: short stacking energy: -749.872 Base-Backbone interact. energy: -1.692 local terms energy: -865.961053 where: bonds (distance) C4'-P energy: -159.988 bonds (distance) P-C4' energy: -173.463 flat angles C4'-P-C4' energy: -186.299 flat angles P-C4'-P energy: -128.373 tors. eta vs tors. theta energy: -217.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2447.595297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.595297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.595297 (E_RNA) where: Base-Base interactions energy: -1599.226 where: short stacking energy: -742.281 Base-Backbone interact. energy: 0.660 local terms energy: -849.029412 where: bonds (distance) C4'-P energy: -150.389 bonds (distance) P-C4' energy: -170.400 flat angles C4'-P-C4' energy: -194.263 flat angles P-C4'-P energy: -122.480 tors. eta vs tors. theta energy: -211.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2236.979285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.979285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.979285 (E_RNA) where: Base-Base interactions energy: -1453.133 where: short stacking energy: -683.920 Base-Backbone interact. energy: -4.965 local terms energy: -778.880960 where: bonds (distance) C4'-P energy: -161.365 bonds (distance) P-C4' energy: -148.883 flat angles C4'-P-C4' energy: -173.439 flat angles P-C4'-P energy: -110.955 tors. eta vs tors. theta energy: -184.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1964.996942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.996942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.996942 (E_RNA) where: Base-Base interactions energy: -1253.951 where: short stacking energy: -585.912 Base-Backbone interact. energy: 0.110 local terms energy: -711.155825 where: bonds (distance) C4'-P energy: -157.522 bonds (distance) P-C4' energy: -154.564 flat angles C4'-P-C4' energy: -167.154 flat angles P-C4'-P energy: -90.651 tors. eta vs tors. theta energy: -141.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2065.241334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.241334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.241334 (E_RNA) where: Base-Base interactions energy: -1369.347 where: short stacking energy: -598.217 Base-Backbone interact. energy: 11.413 local terms energy: -707.306822 where: bonds (distance) C4'-P energy: -127.994 bonds (distance) P-C4' energy: -162.230 flat angles C4'-P-C4' energy: -154.489 flat angles P-C4'-P energy: -102.083 tors. eta vs tors. theta energy: -160.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1646.171460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.171460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.171460 (E_RNA) where: Base-Base interactions energy: -1013.119 where: short stacking energy: -480.178 Base-Backbone interact. energy: 3.761 local terms energy: -636.813662 where: bonds (distance) C4'-P energy: -125.338 bonds (distance) P-C4' energy: -163.040 flat angles C4'-P-C4' energy: -148.227 flat angles P-C4'-P energy: -93.005 tors. eta vs tors. theta energy: -107.203 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: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1173.546728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.546728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.546728 (E_RNA) where: Base-Base interactions energy: -629.971 where: short stacking energy: -348.291 Base-Backbone interact. energy: 2.007 local terms energy: -545.582441 where: bonds (distance) C4'-P energy: -138.101 bonds (distance) P-C4' energy: -157.459 flat angles C4'-P-C4' energy: -140.104 flat angles P-C4'-P energy: -88.839 tors. eta vs tors. theta energy: -21.079 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: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1272.813671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.813671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.813671 (E_RNA) where: Base-Base interactions energy: -705.550 where: short stacking energy: -341.642 Base-Backbone interact. energy: -2.863 local terms energy: -564.400862 where: bonds (distance) C4'-P energy: -152.902 bonds (distance) P-C4' energy: -129.657 flat angles C4'-P-C4' energy: -148.722 flat angles P-C4'-P energy: -86.520 tors. eta vs tors. theta energy: -46.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -757.628962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.628962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.628962 (E_RNA) where: Base-Base interactions energy: -331.372 where: short stacking energy: -217.113 Base-Backbone interact. energy: 0.764 local terms energy: -427.021133 where: bonds (distance) C4'-P energy: -119.502 bonds (distance) P-C4' energy: -150.157 flat angles C4'-P-C4' energy: -116.398 flat angles P-C4'-P energy: -71.951 tors. eta vs tors. theta energy: 30.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -660.243443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.243443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.243443 (E_RNA) where: Base-Base interactions energy: -223.054 where: short stacking energy: -177.865 Base-Backbone interact. energy: -2.358 local terms energy: -434.830943 where: bonds (distance) C4'-P energy: -132.974 bonds (distance) P-C4' energy: -145.999 flat angles C4'-P-C4' energy: -104.749 flat angles P-C4'-P energy: -86.843 tors. eta vs tors. theta energy: 35.735 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: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2641.521248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.521248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.521248 (E_RNA) where: Base-Base interactions energy: -1773.350 where: short stacking energy: -767.904 Base-Backbone interact. energy: -3.668 local terms energy: -864.503452 where: bonds (distance) C4'-P energy: -162.354 bonds (distance) P-C4' energy: -172.846 flat angles C4'-P-C4' energy: -191.550 flat angles P-C4'-P energy: -118.144 tors. eta vs tors. theta energy: -219.609 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: 2, replica: 9 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2502.104381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.104381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.104381 (E_RNA) where: Base-Base interactions energy: -1654.040 where: short stacking energy: -747.838 Base-Backbone interact. energy: -1.869 local terms energy: -846.195449 where: bonds (distance) C4'-P energy: -155.287 bonds (distance) P-C4' energy: -165.755 flat angles C4'-P-C4' energy: -201.693 flat angles P-C4'-P energy: -110.548 tors. eta vs tors. theta energy: -212.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2242.596791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.596791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.596791 (E_RNA) where: Base-Base interactions energy: -1475.360 where: short stacking energy: -643.243 Base-Backbone interact. energy: 0.836 local terms energy: -768.073062 where: bonds (distance) C4'-P energy: -135.088 bonds (distance) P-C4' energy: -159.841 flat angles C4'-P-C4' energy: -183.213 flat angles P-C4'-P energy: -107.813 tors. eta vs tors. theta energy: -182.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1901.592968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.592968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.592968 (E_RNA) where: Base-Base interactions energy: -1206.226 where: short stacking energy: -544.784 Base-Backbone interact. energy: -0.801 local terms energy: -694.565648 where: bonds (distance) C4'-P energy: -152.634 bonds (distance) P-C4' energy: -153.552 flat angles C4'-P-C4' energy: -160.143 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -136.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2011.968980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.968980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.968980 (E_RNA) where: Base-Base interactions energy: -1280.358 where: short stacking energy: -567.934 Base-Backbone interact. energy: 1.763 local terms energy: -733.374410 where: bonds (distance) C4'-P energy: -159.024 bonds (distance) P-C4' energy: -156.651 flat angles C4'-P-C4' energy: -159.411 flat angles P-C4'-P energy: -107.784 tors. eta vs tors. theta energy: -150.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1621.864341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.864341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.864341 (E_RNA) where: Base-Base interactions energy: -989.235 where: short stacking energy: -485.454 Base-Backbone interact. energy: -1.441 local terms energy: -631.188485 where: bonds (distance) C4'-P energy: -138.909 bonds (distance) P-C4' energy: -154.864 flat angles C4'-P-C4' energy: -142.026 flat angles P-C4'-P energy: -88.876 tors. eta vs tors. theta energy: -106.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1326.292957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.292957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.292957 (E_RNA) where: Base-Base interactions energy: -767.693 where: short stacking energy: -395.585 Base-Backbone interact. energy: 1.780 local terms energy: -560.379913 where: bonds (distance) C4'-P energy: -132.596 bonds (distance) P-C4' energy: -146.264 flat angles C4'-P-C4' energy: -131.844 flat angles P-C4'-P energy: -76.043 tors. eta vs tors. theta energy: -73.632 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: 5 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1092.334989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.334989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.334989 (E_RNA) where: Base-Base interactions energy: -584.203 where: short stacking energy: -317.963 Base-Backbone interact. energy: 5.422 local terms energy: -513.554040 where: bonds (distance) C4'-P energy: -128.606 bonds (distance) P-C4' energy: -136.178 flat angles C4'-P-C4' energy: -126.826 flat angles P-C4'-P energy: -83.101 tors. eta vs tors. theta energy: -38.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -760.084472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.084472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.084472 (E_RNA) where: Base-Base interactions energy: -304.783 where: short stacking energy: -212.077 Base-Backbone interact. energy: 7.554 local terms energy: -462.856171 where: bonds (distance) C4'-P energy: -135.074 bonds (distance) P-C4' energy: -141.547 flat angles C4'-P-C4' energy: -124.444 flat angles P-C4'-P energy: -87.963 tors. eta vs tors. theta energy: 26.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -628.181483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.181483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.181483 (E_RNA) where: Base-Base interactions energy: -214.861 where: short stacking energy: -184.659 Base-Backbone interact. energy: -4.793 local terms energy: -408.527317 where: bonds (distance) C4'-P energy: -136.009 bonds (distance) P-C4' energy: -147.787 flat angles C4'-P-C4' energy: -108.836 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: 42.350 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: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2632.551047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.551047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.551047 (E_RNA) where: Base-Base interactions energy: -1781.392 where: short stacking energy: -801.348 Base-Backbone interact. energy: -1.952 local terms energy: -849.207350 where: bonds (distance) C4'-P energy: -160.454 bonds (distance) P-C4' energy: -164.865 flat angles C4'-P-C4' energy: -190.359 flat angles P-C4'-P energy: -96.724 tors. eta vs tors. theta energy: -236.806 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: 9 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2476.734778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.734778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.734778 (E_RNA) where: Base-Base interactions energy: -1627.653 where: short stacking energy: -741.261 Base-Backbone interact. energy: -5.194 local terms energy: -843.888502 where: bonds (distance) C4'-P energy: -169.068 bonds (distance) P-C4' energy: -149.720 flat angles C4'-P-C4' energy: -189.088 flat angles P-C4'-P energy: -118.186 tors. eta vs tors. theta energy: -217.827 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: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2260.058516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.058516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.058516 (E_RNA) where: Base-Base interactions energy: -1432.701 where: short stacking energy: -655.291 Base-Backbone interact. energy: -1.470 local terms energy: -825.886842 where: bonds (distance) C4'-P energy: -160.604 bonds (distance) P-C4' energy: -173.347 flat angles C4'-P-C4' energy: -180.218 flat angles P-C4'-P energy: -135.521 tors. eta vs tors. theta energy: -176.197 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: 51 Temperature: 1.050000 Total energy: -2167.557526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.557526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.557526 (E_RNA) where: Base-Base interactions energy: -1403.194 where: short stacking energy: -649.297 Base-Backbone interact. energy: -0.458 local terms energy: -763.906055 where: bonds (distance) C4'-P energy: -151.041 bonds (distance) P-C4' energy: -172.830 flat angles C4'-P-C4' energy: -155.118 flat angles P-C4'-P energy: -107.346 tors. eta vs tors. theta energy: -177.571 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: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1804.772020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.772020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.772020 (E_RNA) where: Base-Base interactions energy: -1103.079 where: short stacking energy: -502.065 Base-Backbone interact. energy: 3.422 local terms energy: -705.114833 where: bonds (distance) C4'-P energy: -156.666 bonds (distance) P-C4' energy: -155.026 flat angles C4'-P-C4' energy: -153.036 flat angles P-C4'-P energy: -113.044 tors. eta vs tors. theta energy: -127.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1618.814427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.814427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.814427 (E_RNA) where: Base-Base interactions energy: -994.966 where: short stacking energy: -464.598 Base-Backbone interact. energy: 0.001 local terms energy: -623.849443 where: bonds (distance) C4'-P energy: -140.811 bonds (distance) P-C4' energy: -160.099 flat angles C4'-P-C4' energy: -138.226 flat angles P-C4'-P energy: -79.335 tors. eta vs tors. theta energy: -105.378 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: 8 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1379.901069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.901069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.901069 (E_RNA) where: Base-Base interactions energy: -817.045 where: short stacking energy: -429.600 Base-Backbone interact. energy: -2.488 local terms energy: -560.368387 where: bonds (distance) C4'-P energy: -141.623 bonds (distance) P-C4' energy: -139.978 flat angles C4'-P-C4' energy: -138.000 flat angles P-C4'-P energy: -82.120 tors. eta vs tors. theta energy: -58.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1117.411235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.411235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.411235 (E_RNA) where: Base-Base interactions energy: -619.373 where: short stacking energy: -335.942 Base-Backbone interact. energy: 5.088 local terms energy: -503.126183 where: bonds (distance) C4'-P energy: -153.596 bonds (distance) P-C4' energy: -139.098 flat angles C4'-P-C4' energy: -113.633 flat angles P-C4'-P energy: -79.687 tors. eta vs tors. theta energy: -17.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -773.186439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.186439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.186439 (E_RNA) where: Base-Base interactions energy: -301.712 where: short stacking energy: -220.329 Base-Backbone interact. energy: 6.941 local terms energy: -478.414974 where: bonds (distance) C4'-P energy: -139.564 bonds (distance) P-C4' energy: -145.460 flat angles C4'-P-C4' energy: -120.117 flat angles P-C4'-P energy: -89.062 tors. eta vs tors. theta energy: 15.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -641.035782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.035782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.035782 (E_RNA) where: Base-Base interactions energy: -231.767 where: short stacking energy: -200.485 Base-Backbone interact. energy: -0.934 local terms energy: -408.335559 where: bonds (distance) C4'-P energy: -142.506 bonds (distance) P-C4' energy: -131.484 flat angles C4'-P-C4' energy: -85.465 flat angles P-C4'-P energy: -56.379 tors. eta vs tors. theta energy: 7.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2611.092022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.092022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.092022 (E_RNA) where: Base-Base interactions energy: -1757.091 where: short stacking energy: -786.198 Base-Backbone interact. energy: -4.367 local terms energy: -849.634091 where: bonds (distance) C4'-P energy: -153.167 bonds (distance) P-C4' energy: -181.817 flat angles C4'-P-C4' energy: -168.005 flat angles P-C4'-P energy: -111.831 tors. eta vs tors. theta energy: -234.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2475.401093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.401093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.401093 (E_RNA) where: Base-Base interactions energy: -1638.891 where: short stacking energy: -744.782 Base-Backbone interact. energy: -1.640 local terms energy: -834.870516 where: bonds (distance) C4'-P energy: -156.303 bonds (distance) P-C4' energy: -182.436 flat angles C4'-P-C4' energy: -186.792 flat angles P-C4'-P energy: -112.555 tors. eta vs tors. theta energy: -196.785 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: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2211.732274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.732274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.732274 (E_RNA) where: Base-Base interactions energy: -1468.171 where: short stacking energy: -646.783 Base-Backbone interact. energy: -3.008 local terms energy: -740.553425 where: bonds (distance) C4'-P energy: -140.935 bonds (distance) P-C4' energy: -151.519 flat angles C4'-P-C4' energy: -169.440 flat angles P-C4'-P energy: -113.876 tors. eta vs tors. theta energy: -164.785 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: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2250.974448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.974448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.974448 (E_RNA) where: Base-Base interactions energy: -1478.206 where: short stacking energy: -653.112 Base-Backbone interact. energy: -1.730 local terms energy: -771.037731 where: bonds (distance) C4'-P energy: -157.191 bonds (distance) P-C4' energy: -171.783 flat angles C4'-P-C4' energy: -142.454 flat angles P-C4'-P energy: -117.509 tors. eta vs tors. theta energy: -182.100 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: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1741.729798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.729798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.729798 (E_RNA) where: Base-Base interactions energy: -1072.937 where: short stacking energy: -494.206 Base-Backbone interact. energy: 1.163 local terms energy: -669.955807 where: bonds (distance) C4'-P energy: -147.763 bonds (distance) P-C4' energy: -149.887 flat angles C4'-P-C4' energy: -149.453 flat angles P-C4'-P energy: -93.137 tors. eta vs tors. theta energy: -129.715 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: 52 Temperature: 1.150000 Total energy: -1740.794038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.794038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.794038 (E_RNA) where: Base-Base interactions energy: -1060.633 where: short stacking energy: -488.020 Base-Backbone interact. energy: 0.029 local terms energy: -680.190461 where: bonds (distance) C4'-P energy: -151.832 bonds (distance) P-C4' energy: -164.829 flat angles C4'-P-C4' energy: -149.123 flat angles P-C4'-P energy: -97.713 tors. eta vs tors. theta energy: -116.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1351.137351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.137351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.137351 (E_RNA) where: Base-Base interactions energy: -793.925 where: short stacking energy: -385.245 Base-Backbone interact. energy: -3.537 local terms energy: -553.675227 where: bonds (distance) C4'-P energy: -136.433 bonds (distance) P-C4' energy: -144.537 flat angles C4'-P-C4' energy: -137.540 flat angles P-C4'-P energy: -77.523 tors. eta vs tors. theta energy: -57.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1081.371204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.371204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.371204 (E_RNA) where: Base-Base interactions energy: -579.374 where: short stacking energy: -278.188 Base-Backbone interact. energy: 1.738 local terms energy: -503.734787 where: bonds (distance) C4'-P energy: -124.810 bonds (distance) P-C4' energy: -148.263 flat angles C4'-P-C4' energy: -116.767 flat angles P-C4'-P energy: -105.527 tors. eta vs tors. theta energy: -8.367 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: 52 Temperature: 1.300000 Total energy: -774.882311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.882311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.882311 (E_RNA) where: Base-Base interactions energy: -323.343 where: short stacking energy: -230.250 Base-Backbone interact. energy: 3.928 local terms energy: -455.467299 where: bonds (distance) C4'-P energy: -116.783 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -104.282 flat angles P-C4'-P energy: -87.352 tors. eta vs tors. theta energy: -0.727 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: 2 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -579.974700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.974700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.974700 (E_RNA) where: Base-Base interactions energy: -209.547 where: short stacking energy: -175.177 Base-Backbone interact. energy: 8.077 local terms energy: -378.504411 where: bonds (distance) C4'-P energy: -125.120 bonds (distance) P-C4' energy: -134.996 flat angles C4'-P-C4' energy: -99.780 flat angles P-C4'-P energy: -49.416 tors. eta vs tors. theta energy: 30.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2620.478067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.478067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.478067 (E_RNA) where: Base-Base interactions energy: -1759.203 where: short stacking energy: -739.968 Base-Backbone interact. energy: -3.177 local terms energy: -858.098271 where: bonds (distance) C4'-P energy: -174.848 bonds (distance) P-C4' energy: -158.925 flat angles C4'-P-C4' energy: -192.265 flat angles P-C4'-P energy: -116.514 tors. eta vs tors. theta energy: -215.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2443.662372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.662372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.662372 (E_RNA) where: Base-Base interactions energy: -1619.830 where: short stacking energy: -729.087 Base-Backbone interact. energy: -1.985 local terms energy: -821.847223 where: bonds (distance) C4'-P energy: -157.174 bonds (distance) P-C4' energy: -178.924 flat angles C4'-P-C4' energy: -176.408 flat angles P-C4'-P energy: -105.987 tors. eta vs tors. theta energy: -203.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2164.831369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.831369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.831369 (E_RNA) where: Base-Base interactions energy: -1443.206 where: short stacking energy: -654.471 Base-Backbone interact. energy: 3.299 local terms energy: -724.924082 where: bonds (distance) C4'-P energy: -145.581 bonds (distance) P-C4' energy: -141.415 flat angles C4'-P-C4' energy: -158.575 flat angles P-C4'-P energy: -104.540 tors. eta vs tors. theta energy: -174.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2268.962853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.962853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.962853 (E_RNA) where: Base-Base interactions energy: -1469.060 where: short stacking energy: -648.782 Base-Backbone interact. energy: 1.145 local terms energy: -801.048419 where: bonds (distance) C4'-P energy: -142.990 bonds (distance) P-C4' energy: -164.262 flat angles C4'-P-C4' energy: -176.168 flat angles P-C4'-P energy: -119.816 tors. eta vs tors. theta energy: -197.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1717.330129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.330129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.330129 (E_RNA) where: Base-Base interactions energy: -1077.609 where: short stacking energy: -533.786 Base-Backbone interact. energy: -2.583 local terms energy: -637.137810 where: bonds (distance) C4'-P energy: -125.020 bonds (distance) P-C4' energy: -141.471 flat angles C4'-P-C4' energy: -147.807 flat angles P-C4'-P energy: -79.422 tors. eta vs tors. theta energy: -143.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1729.992602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.992602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.992602 (E_RNA) where: Base-Base interactions energy: -1087.340 where: short stacking energy: -477.257 Base-Backbone interact. energy: -1.699 local terms energy: -640.953371 where: bonds (distance) C4'-P energy: -139.744 bonds (distance) P-C4' energy: -155.140 flat angles C4'-P-C4' energy: -143.949 flat angles P-C4'-P energy: -100.566 tors. eta vs tors. theta energy: -101.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1328.415036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.415036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.415036 (E_RNA) where: Base-Base interactions energy: -772.062 where: short stacking energy: -384.504 Base-Backbone interact. energy: -4.772 local terms energy: -551.580343 where: bonds (distance) C4'-P energy: -137.463 bonds (distance) P-C4' energy: -139.738 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -86.044 tors. eta vs tors. theta energy: -46.803 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: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1130.380931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.380931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.380931 (E_RNA) where: Base-Base interactions energy: -600.226 where: short stacking energy: -316.554 Base-Backbone interact. energy: 9.672 local terms energy: -539.826870 where: bonds (distance) C4'-P energy: -148.242 bonds (distance) P-C4' energy: -152.290 flat angles C4'-P-C4' energy: -117.819 flat angles P-C4'-P energy: -79.424 tors. eta vs tors. theta energy: -42.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -699.326614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.326614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.326614 (E_RNA) where: Base-Base interactions energy: -289.727 where: short stacking energy: -189.964 Base-Backbone interact. energy: 1.841 local terms energy: -411.441103 where: bonds (distance) C4'-P energy: -127.732 bonds (distance) P-C4' energy: -137.538 flat angles C4'-P-C4' energy: -93.739 flat angles P-C4'-P energy: -73.852 tors. eta vs tors. theta energy: 21.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -622.624003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.624003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.624003 (E_RNA) where: Base-Base interactions energy: -203.842 where: short stacking energy: -160.447 Base-Backbone interact. energy: 0.767 local terms energy: -419.548115 where: bonds (distance) C4'-P energy: -133.559 bonds (distance) P-C4' energy: -138.489 flat angles C4'-P-C4' energy: -118.094 flat angles P-C4'-P energy: -58.995 tors. eta vs tors. theta energy: 29.590 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: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2670.144613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.144613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.144613 (E_RNA) where: Base-Base interactions energy: -1811.068 where: short stacking energy: -778.703 Base-Backbone interact. energy: -4.665 local terms energy: -854.411623 where: bonds (distance) C4'-P energy: -166.565 bonds (distance) P-C4' energy: -162.034 flat angles C4'-P-C4' energy: -193.779 flat angles P-C4'-P energy: -113.771 tors. eta vs tors. theta energy: -218.263 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: 9 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2437.846690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.846690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.846690 (E_RNA) where: Base-Base interactions energy: -1603.802 where: short stacking energy: -710.416 Base-Backbone interact. energy: -2.963 local terms energy: -831.081512 where: bonds (distance) C4'-P energy: -157.931 bonds (distance) P-C4' energy: -164.192 flat angles C4'-P-C4' energy: -181.865 flat angles P-C4'-P energy: -122.337 tors. eta vs tors. theta energy: -204.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2353.366560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.366560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.366560 (E_RNA) where: Base-Base interactions energy: -1569.519 where: short stacking energy: -696.388 Base-Backbone interact. energy: 4.697 local terms energy: -788.543713 where: bonds (distance) C4'-P energy: -157.065 bonds (distance) P-C4' energy: -148.609 flat angles C4'-P-C4' energy: -183.558 flat angles P-C4'-P energy: -110.854 tors. eta vs tors. theta energy: -188.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2100.558630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.558630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.558630 (E_RNA) where: Base-Base interactions energy: -1331.132 where: short stacking energy: -589.818 Base-Backbone interact. energy: -5.823 local terms energy: -763.603270 where: bonds (distance) C4'-P energy: -137.556 bonds (distance) P-C4' energy: -168.885 flat angles C4'-P-C4' energy: -181.928 flat angles P-C4'-P energy: -118.284 tors. eta vs tors. theta energy: -156.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1883.458478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.458478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.458478 (E_RNA) where: Base-Base interactions energy: -1204.125 where: short stacking energy: -541.476 Base-Backbone interact. energy: 0.071 local terms energy: -679.404115 where: bonds (distance) C4'-P energy: -151.603 bonds (distance) P-C4' energy: -165.484 flat angles C4'-P-C4' energy: -142.876 flat angles P-C4'-P energy: -98.053 tors. eta vs tors. theta energy: -121.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1598.761852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.761852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.761852 (E_RNA) where: Base-Base interactions energy: -960.741 where: short stacking energy: -501.253 Base-Backbone interact. energy: 0.161 local terms energy: -638.182132 where: bonds (distance) C4'-P energy: -146.184 bonds (distance) P-C4' energy: -150.513 flat angles C4'-P-C4' energy: -124.304 flat angles P-C4'-P energy: -100.995 tors. eta vs tors. theta energy: -116.187 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: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1351.378074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.378074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.378074 (E_RNA) where: Base-Base interactions energy: -755.508 where: short stacking energy: -372.213 Base-Backbone interact. energy: 2.206 local terms energy: -598.075751 where: bonds (distance) C4'-P energy: -154.769 bonds (distance) P-C4' energy: -144.168 flat angles C4'-P-C4' energy: -119.810 flat angles P-C4'-P energy: -102.486 tors. eta vs tors. theta energy: -76.842 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: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1071.323178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.323178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.323178 (E_RNA) where: Base-Base interactions energy: -530.141 where: short stacking energy: -278.938 Base-Backbone interact. energy: -3.546 local terms energy: -537.635537 where: bonds (distance) C4'-P energy: -142.296 bonds (distance) P-C4' energy: -158.213 flat angles C4'-P-C4' energy: -137.672 flat angles P-C4'-P energy: -82.653 tors. eta vs tors. theta energy: -16.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -674.034260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.034260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.034260 (E_RNA) where: Base-Base interactions energy: -208.557 where: short stacking energy: -189.417 Base-Backbone interact. energy: -2.368 local terms energy: -463.109598 where: bonds (distance) C4'-P energy: -136.221 bonds (distance) P-C4' energy: -157.930 flat angles C4'-P-C4' energy: -120.228 flat angles P-C4'-P energy: -59.262 tors. eta vs tors. theta energy: 10.531 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: 2 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -604.638429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.638429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.638429 (E_RNA) where: Base-Base interactions energy: -200.060 where: short stacking energy: -148.295 Base-Backbone interact. energy: 2.832 local terms energy: -407.409898 where: bonds (distance) C4'-P energy: -143.000 bonds (distance) P-C4' energy: -137.697 flat angles C4'-P-C4' energy: -133.339 flat angles P-C4'-P energy: -54.506 tors. eta vs tors. theta energy: 61.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2678.715878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.715878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.715878 (E_RNA) where: Base-Base interactions energy: -1803.325 where: short stacking energy: -794.636 Base-Backbone interact. energy: -5.950 local terms energy: -869.440186 where: bonds (distance) C4'-P energy: -164.596 bonds (distance) P-C4' energy: -164.883 flat angles C4'-P-C4' energy: -188.540 flat angles P-C4'-P energy: -128.842 tors. eta vs tors. theta energy: -222.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2449.789535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.789535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.789535 (E_RNA) where: Base-Base interactions energy: -1635.660 where: short stacking energy: -754.022 Base-Backbone interact. energy: -2.360 local terms energy: -811.769828 where: bonds (distance) C4'-P energy: -149.524 bonds (distance) P-C4' energy: -150.661 flat angles C4'-P-C4' energy: -190.844 flat angles P-C4'-P energy: -123.023 tors. eta vs tors. theta energy: -197.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2379.000215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.000215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.000215 (E_RNA) where: Base-Base interactions energy: -1573.092 where: short stacking energy: -701.420 Base-Backbone interact. energy: -2.220 local terms energy: -803.688086 where: bonds (distance) C4'-P energy: -152.199 bonds (distance) P-C4' energy: -160.998 flat angles C4'-P-C4' energy: -185.883 flat angles P-C4'-P energy: -121.070 tors. eta vs tors. theta energy: -183.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2082.167640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.167640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.167640 (E_RNA) where: Base-Base interactions energy: -1339.235 where: short stacking energy: -599.057 Base-Backbone interact. energy: -3.421 local terms energy: -739.512030 where: bonds (distance) C4'-P energy: -142.003 bonds (distance) P-C4' energy: -167.319 flat angles C4'-P-C4' energy: -182.231 flat angles P-C4'-P energy: -103.195 tors. eta vs tors. theta energy: -144.763 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: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1977.055226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.055226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.055226 (E_RNA) where: Base-Base interactions energy: -1248.925 where: short stacking energy: -617.153 Base-Backbone interact. energy: -0.312 local terms energy: -727.818596 where: bonds (distance) C4'-P energy: -144.310 bonds (distance) P-C4' energy: -159.555 flat angles C4'-P-C4' energy: -167.434 flat angles P-C4'-P energy: -109.158 tors. eta vs tors. theta energy: -147.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1629.645210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.645210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.645210 (E_RNA) where: Base-Base interactions energy: -992.139 where: short stacking energy: -456.633 Base-Backbone interact. energy: 4.413 local terms energy: -641.918587 where: bonds (distance) C4'-P energy: -157.453 bonds (distance) P-C4' energy: -146.857 flat angles C4'-P-C4' energy: -138.428 flat angles P-C4'-P energy: -95.086 tors. eta vs tors. theta energy: -104.095 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: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1299.024468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.024468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.024468 (E_RNA) where: Base-Base interactions energy: -744.312 where: short stacking energy: -384.634 Base-Backbone interact. energy: 3.356 local terms energy: -558.067772 where: bonds (distance) C4'-P energy: -142.155 bonds (distance) P-C4' energy: -138.707 flat angles C4'-P-C4' energy: -144.074 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: -60.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1123.109070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.109070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.109070 (E_RNA) where: Base-Base interactions energy: -598.565 where: short stacking energy: -313.349 Base-Backbone interact. energy: -0.778 local terms energy: -523.765821 where: bonds (distance) C4'-P energy: -137.000 bonds (distance) P-C4' energy: -153.294 flat angles C4'-P-C4' energy: -130.380 flat angles P-C4'-P energy: -92.710 tors. eta vs tors. theta energy: -10.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -671.905037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.905037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.905037 (E_RNA) where: Base-Base interactions energy: -250.054 where: short stacking energy: -203.298 Base-Backbone interact. energy: -1.338 local terms energy: -420.512431 where: bonds (distance) C4'-P energy: -113.311 bonds (distance) P-C4' energy: -133.503 flat angles C4'-P-C4' energy: -119.633 flat angles P-C4'-P energy: -67.764 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: 2 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -628.082056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.082056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.082056 (E_RNA) where: Base-Base interactions energy: -183.214 where: short stacking energy: -131.612 Base-Backbone interact. energy: 4.486 local terms energy: -449.354214 where: bonds (distance) C4'-P energy: -137.006 bonds (distance) P-C4' energy: -149.668 flat angles C4'-P-C4' energy: -122.649 flat angles P-C4'-P energy: -79.176 tors. eta vs tors. theta energy: 39.145 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: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2657.029551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.029551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.029551 (E_RNA) where: Base-Base interactions energy: -1793.925 where: short stacking energy: -743.678 Base-Backbone interact. energy: -6.009 local terms energy: -857.095805 where: bonds (distance) C4'-P energy: -171.818 bonds (distance) P-C4' energy: -166.402 flat angles C4'-P-C4' energy: -188.697 flat angles P-C4'-P energy: -112.792 tors. eta vs tors. theta energy: -217.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2510.803523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.803523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.803523 (E_RNA) where: Base-Base interactions energy: -1635.841 where: short stacking energy: -731.296 Base-Backbone interact. energy: -2.983 local terms energy: -871.979599 where: bonds (distance) C4'-P energy: -168.080 bonds (distance) P-C4' energy: -166.561 flat angles C4'-P-C4' energy: -184.366 flat angles P-C4'-P energy: -127.559 tors. eta vs tors. theta energy: -225.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2346.572577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.572577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.572577 (E_RNA) where: Base-Base interactions energy: -1531.113 where: short stacking energy: -649.280 Base-Backbone interact. energy: 2.008 local terms energy: -817.468311 where: bonds (distance) C4'-P energy: -163.605 bonds (distance) P-C4' energy: -161.580 flat angles C4'-P-C4' energy: -168.385 flat angles P-C4'-P energy: -129.709 tors. eta vs tors. theta energy: -194.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2085.517354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.517354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.517354 (E_RNA) where: Base-Base interactions energy: -1334.966 where: short stacking energy: -608.259 Base-Backbone interact. energy: -4.462 local terms energy: -746.088761 where: bonds (distance) C4'-P energy: -154.138 bonds (distance) P-C4' energy: -146.999 flat angles C4'-P-C4' energy: -174.258 flat angles P-C4'-P energy: -119.223 tors. eta vs tors. theta energy: -151.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1927.052803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.052803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.052803 (E_RNA) where: Base-Base interactions energy: -1258.028 where: short stacking energy: -551.538 Base-Backbone interact. energy: -3.017 local terms energy: -666.008186 where: bonds (distance) C4'-P energy: -134.684 bonds (distance) P-C4' energy: -150.885 flat angles C4'-P-C4' energy: -159.597 flat angles P-C4'-P energy: -92.079 tors. eta vs tors. theta energy: -128.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1596.626232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.626232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.626232 (E_RNA) where: Base-Base interactions energy: -964.103 where: short stacking energy: -456.347 Base-Backbone interact. energy: -3.338 local terms energy: -629.185703 where: bonds (distance) C4'-P energy: -142.554 bonds (distance) P-C4' energy: -150.727 flat angles C4'-P-C4' energy: -131.986 flat angles P-C4'-P energy: -96.324 tors. eta vs tors. theta energy: -107.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1313.724210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.724210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.724210 (E_RNA) where: Base-Base interactions energy: -728.089 where: short stacking energy: -337.472 Base-Backbone interact. energy: 4.476 local terms energy: -590.110297 where: bonds (distance) C4'-P energy: -158.233 bonds (distance) P-C4' energy: -138.538 flat angles C4'-P-C4' energy: -142.356 flat angles P-C4'-P energy: -100.586 tors. eta vs tors. theta energy: -50.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1076.357623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.357623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.357623 (E_RNA) where: Base-Base interactions energy: -547.162 where: short stacking energy: -298.215 Base-Backbone interact. energy: 7.431 local terms energy: -536.626517 where: bonds (distance) C4'-P energy: -157.238 bonds (distance) P-C4' energy: -145.640 flat angles C4'-P-C4' energy: -141.863 flat angles P-C4'-P energy: -67.027 tors. eta vs tors. theta energy: -24.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -703.698519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.698519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.698519 (E_RNA) where: Base-Base interactions energy: -269.098 where: short stacking energy: -223.831 Base-Backbone interact. energy: -1.566 local terms energy: -433.035329 where: bonds (distance) C4'-P energy: -107.735 bonds (distance) P-C4' energy: -139.733 flat angles C4'-P-C4' energy: -121.576 flat angles P-C4'-P energy: -79.379 tors. eta vs tors. theta energy: 15.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -626.246826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.246826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.246826 (E_RNA) where: Base-Base interactions energy: -210.504 where: short stacking energy: -174.137 Base-Backbone interact. energy: 1.264 local terms energy: -417.006839 where: bonds (distance) C4'-P energy: -138.674 bonds (distance) P-C4' energy: -122.239 flat angles C4'-P-C4' energy: -108.439 flat angles P-C4'-P energy: -65.148 tors. eta vs tors. theta energy: 17.493 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: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2657.131712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.131712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.131712 (E_RNA) where: Base-Base interactions energy: -1804.901 where: short stacking energy: -759.235 Base-Backbone interact. energy: -4.311 local terms energy: -847.920470 where: bonds (distance) C4'-P energy: -170.112 bonds (distance) P-C4' energy: -157.176 flat angles C4'-P-C4' energy: -183.818 flat angles P-C4'-P energy: -107.424 tors. eta vs tors. theta energy: -229.391 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: 2, replica: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2501.251870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.251870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.251870 (E_RNA) where: Base-Base interactions energy: -1657.462 where: short stacking energy: -743.691 Base-Backbone interact. energy: -4.527 local terms energy: -839.262779 where: bonds (distance) C4'-P energy: -162.589 bonds (distance) P-C4' energy: -168.319 flat angles C4'-P-C4' energy: -184.948 flat angles P-C4'-P energy: -106.771 tors. eta vs tors. theta energy: -216.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2336.422349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.422349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.422349 (E_RNA) where: Base-Base interactions energy: -1547.430 where: short stacking energy: -647.522 Base-Backbone interact. energy: 2.781 local terms energy: -791.773267 where: bonds (distance) C4'-P energy: -162.711 bonds (distance) P-C4' energy: -161.116 flat angles C4'-P-C4' energy: -187.998 flat angles P-C4'-P energy: -108.051 tors. eta vs tors. theta energy: -171.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2086.827429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.827429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.827429 (E_RNA) where: Base-Base interactions energy: -1338.638 where: short stacking energy: -638.120 Base-Backbone interact. energy: -5.454 local terms energy: -742.735789 where: bonds (distance) C4'-P energy: -147.477 bonds (distance) P-C4' energy: -161.093 flat angles C4'-P-C4' energy: -167.565 flat angles P-C4'-P energy: -100.225 tors. eta vs tors. theta energy: -166.376 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: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1987.863850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.863850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.863850 (E_RNA) where: Base-Base interactions energy: -1268.891 where: short stacking energy: -569.960 Base-Backbone interact. energy: -4.290 local terms energy: -714.683122 where: bonds (distance) C4'-P energy: -150.316 bonds (distance) P-C4' energy: -149.559 flat angles C4'-P-C4' energy: -169.631 flat angles P-C4'-P energy: -97.732 tors. eta vs tors. theta energy: -147.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1570.086466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.086466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.086466 (E_RNA) where: Base-Base interactions energy: -977.609 where: short stacking energy: -491.569 Base-Backbone interact. energy: -2.005 local terms energy: -590.472670 where: bonds (distance) C4'-P energy: -142.686 bonds (distance) P-C4' energy: -141.686 flat angles C4'-P-C4' energy: -143.657 flat angles P-C4'-P energy: -62.248 tors. eta vs tors. theta energy: -100.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1284.392518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.392518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.392518 (E_RNA) where: Base-Base interactions energy: -698.137 where: short stacking energy: -357.872 Base-Backbone interact. energy: 4.574 local terms energy: -590.829419 where: bonds (distance) C4'-P energy: -159.476 bonds (distance) P-C4' energy: -153.049 flat angles C4'-P-C4' energy: -139.084 flat angles P-C4'-P energy: -68.462 tors. eta vs tors. theta energy: -70.758 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: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1143.568428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.568428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.568428 (E_RNA) where: Base-Base interactions energy: -619.902 where: short stacking energy: -318.746 Base-Backbone interact. energy: -3.245 local terms energy: -520.421800 where: bonds (distance) C4'-P energy: -140.060 bonds (distance) P-C4' energy: -151.798 flat angles C4'-P-C4' energy: -131.209 flat angles P-C4'-P energy: -70.898 tors. eta vs tors. theta energy: -26.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -690.325635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.325635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.325635 (E_RNA) where: Base-Base interactions energy: -232.031 where: short stacking energy: -184.641 Base-Backbone interact. energy: -0.561 local terms energy: -457.733738 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -161.266 flat angles C4'-P-C4' energy: -125.222 flat angles P-C4'-P energy: -81.288 tors. eta vs tors. theta energy: 32.234 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: 10, replica: 2 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -605.827068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.827068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.827068 (E_RNA) where: Base-Base interactions energy: -207.068 where: short stacking energy: -173.265 Base-Backbone interact. energy: 9.765 local terms energy: -408.523910 where: bonds (distance) C4'-P energy: -130.507 bonds (distance) P-C4' energy: -129.809 flat angles C4'-P-C4' energy: -108.693 flat angles P-C4'-P energy: -68.822 tors. eta vs tors. theta energy: 29.307 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: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2683.163405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.163405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.163405 (E_RNA) where: Base-Base interactions energy: -1815.223 where: short stacking energy: -763.244 Base-Backbone interact. energy: -5.728 local terms energy: -862.212954 where: bonds (distance) C4'-P energy: -155.362 bonds (distance) P-C4' energy: -164.538 flat angles C4'-P-C4' energy: -196.214 flat angles P-C4'-P energy: -117.825 tors. eta vs tors. theta energy: -228.274 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: 2, replica: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2473.136779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.136779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.136779 (E_RNA) where: Base-Base interactions energy: -1617.857 where: short stacking energy: -749.978 Base-Backbone interact. energy: -5.803 local terms energy: -849.476055 where: bonds (distance) C4'-P energy: -153.254 bonds (distance) P-C4' energy: -161.336 flat angles C4'-P-C4' energy: -173.080 flat angles P-C4'-P energy: -139.339 tors. eta vs tors. theta energy: -222.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2410.363946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.363946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.363946 (E_RNA) where: Base-Base interactions energy: -1583.904 where: short stacking energy: -686.066 Base-Backbone interact. energy: -2.639 local terms energy: -823.820333 where: bonds (distance) C4'-P energy: -163.896 bonds (distance) P-C4' energy: -165.910 flat angles C4'-P-C4' energy: -174.282 flat angles P-C4'-P energy: -128.590 tors. eta vs tors. theta energy: -191.144 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: 4 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2130.580484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.580484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.580484 (E_RNA) where: Base-Base interactions energy: -1381.863 where: short stacking energy: -609.216 Base-Backbone interact. energy: -3.451 local terms energy: -745.267259 where: bonds (distance) C4'-P energy: -153.210 bonds (distance) P-C4' energy: -149.702 flat angles C4'-P-C4' energy: -178.503 flat angles P-C4'-P energy: -100.555 tors. eta vs tors. theta energy: -163.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1975.641211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.641211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.641211 (E_RNA) where: Base-Base interactions energy: -1234.109 where: short stacking energy: -592.087 Base-Backbone interact. energy: -0.160 local terms energy: -741.372400 where: bonds (distance) C4'-P energy: -144.626 bonds (distance) P-C4' energy: -165.582 flat angles C4'-P-C4' energy: -170.981 flat angles P-C4'-P energy: -112.547 tors. eta vs tors. theta energy: -147.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1563.647208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.647208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.647208 (E_RNA) where: Base-Base interactions energy: -926.152 where: short stacking energy: -427.580 Base-Backbone interact. energy: -2.221 local terms energy: -635.273500 where: bonds (distance) C4'-P energy: -146.638 bonds (distance) P-C4' energy: -149.585 flat angles C4'-P-C4' energy: -146.855 flat angles P-C4'-P energy: -101.345 tors. eta vs tors. theta energy: -90.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1278.815766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.815766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.815766 (E_RNA) where: Base-Base interactions energy: -704.759 where: short stacking energy: -381.200 Base-Backbone interact. energy: 0.662 local terms energy: -574.718525 where: bonds (distance) C4'-P energy: -133.018 bonds (distance) P-C4' energy: -147.668 flat angles C4'-P-C4' energy: -126.206 flat angles P-C4'-P energy: -92.258 tors. eta vs tors. theta energy: -75.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1192.677398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.677398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.677398 (E_RNA) where: Base-Base interactions energy: -661.184 where: short stacking energy: -392.005 Base-Backbone interact. energy: -0.552 local terms energy: -530.940978 where: bonds (distance) C4'-P energy: -116.472 bonds (distance) P-C4' energy: -147.859 flat angles C4'-P-C4' energy: -127.756 flat angles P-C4'-P energy: -87.023 tors. eta vs tors. theta energy: -51.832 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: 58 Temperature: 1.300000 Total energy: -698.198024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.198024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.198024 (E_RNA) where: Base-Base interactions energy: -268.031 where: short stacking energy: -186.641 Base-Backbone interact. energy: 6.541 local terms energy: -436.707637 where: bonds (distance) C4'-P energy: -126.144 bonds (distance) P-C4' energy: -146.766 flat angles C4'-P-C4' energy: -112.774 flat angles P-C4'-P energy: -72.755 tors. eta vs tors. theta energy: 21.731 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: 10, replica: 2 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -608.557131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.557131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.557131 (E_RNA) where: Base-Base interactions energy: -203.868 where: short stacking energy: -181.140 Base-Backbone interact. energy: 3.622 local terms energy: -408.311619 where: bonds (distance) C4'-P energy: -139.763 bonds (distance) P-C4' energy: -135.029 flat angles C4'-P-C4' energy: -111.843 flat angles P-C4'-P energy: -66.442 tors. eta vs tors. theta energy: 44.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2650.081231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.081231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.081231 (E_RNA) where: Base-Base interactions energy: -1800.543 where: short stacking energy: -795.927 Base-Backbone interact. energy: -3.747 local terms energy: -845.790723 where: bonds (distance) C4'-P energy: -171.600 bonds (distance) P-C4' energy: -157.252 flat angles C4'-P-C4' energy: -173.084 flat angles P-C4'-P energy: -119.354 tors. eta vs tors. theta energy: -224.501 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: 9 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2483.949604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.949604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.949604 (E_RNA) where: Base-Base interactions energy: -1649.753 where: short stacking energy: -744.815 Base-Backbone interact. energy: -5.778 local terms energy: -828.417956 where: bonds (distance) C4'-P energy: -159.935 bonds (distance) P-C4' energy: -158.899 flat angles C4'-P-C4' energy: -172.136 flat angles P-C4'-P energy: -122.216 tors. eta vs tors. theta energy: -215.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2375.431116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.431116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.431116 (E_RNA) where: Base-Base interactions energy: -1603.945 where: short stacking energy: -703.084 Base-Backbone interact. energy: -3.943 local terms energy: -767.543673 where: bonds (distance) C4'-P energy: -160.564 bonds (distance) P-C4' energy: -146.370 flat angles C4'-P-C4' energy: -163.817 flat angles P-C4'-P energy: -107.343 tors. eta vs tors. theta energy: -189.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2135.744671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.744671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.744671 (E_RNA) where: Base-Base interactions energy: -1393.528 where: short stacking energy: -638.357 Base-Backbone interact. energy: -2.557 local terms energy: -739.660569 where: bonds (distance) C4'-P energy: -149.425 bonds (distance) P-C4' energy: -150.807 flat angles C4'-P-C4' energy: -154.710 flat angles P-C4'-P energy: -104.420 tors. eta vs tors. theta energy: -180.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1984.396912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.396912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.396912 (E_RNA) where: Base-Base interactions energy: -1298.749 where: short stacking energy: -574.304 Base-Backbone interact. energy: -3.412 local terms energy: -682.236354 where: bonds (distance) C4'-P energy: -141.799 bonds (distance) P-C4' energy: -146.398 flat angles C4'-P-C4' energy: -155.207 flat angles P-C4'-P energy: -103.651 tors. eta vs tors. theta energy: -135.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1509.834179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.834179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.834179 (E_RNA) where: Base-Base interactions energy: -909.995 where: short stacking energy: -438.844 Base-Backbone interact. energy: -2.115 local terms energy: -597.723938 where: bonds (distance) C4'-P energy: -137.674 bonds (distance) P-C4' energy: -164.322 flat angles C4'-P-C4' energy: -140.109 flat angles P-C4'-P energy: -80.172 tors. eta vs tors. theta energy: -75.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1339.542925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.542925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.542925 (E_RNA) where: Base-Base interactions energy: -751.182 where: short stacking energy: -371.735 Base-Backbone interact. energy: -3.062 local terms energy: -585.299552 where: bonds (distance) C4'-P energy: -131.302 bonds (distance) P-C4' energy: -154.123 flat angles C4'-P-C4' energy: -153.043 flat angles P-C4'-P energy: -93.323 tors. eta vs tors. theta energy: -53.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1188.582086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.582086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.582086 (E_RNA) where: Base-Base interactions energy: -679.579 where: short stacking energy: -344.418 Base-Backbone interact. energy: -0.414 local terms energy: -508.589346 where: bonds (distance) C4'-P energy: -131.954 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -123.195 flat angles P-C4'-P energy: -85.684 tors. eta vs tors. theta energy: -31.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -688.978303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.978303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.978303 (E_RNA) where: Base-Base interactions energy: -245.268 where: short stacking energy: -179.276 Base-Backbone interact. energy: -2.214 local terms energy: -441.496854 where: bonds (distance) C4'-P energy: -144.149 bonds (distance) P-C4' energy: -139.639 flat angles C4'-P-C4' energy: -126.758 flat angles P-C4'-P energy: -64.328 tors. eta vs tors. theta energy: 33.377 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: 2 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -618.647621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.647621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.647621 (E_RNA) where: Base-Base interactions energy: -240.462 where: short stacking energy: -167.995 Base-Backbone interact. energy: 8.042 local terms energy: -386.227997 where: bonds (distance) C4'-P energy: -119.737 bonds (distance) P-C4' energy: -139.479 flat angles C4'-P-C4' energy: -99.091 flat angles P-C4'-P energy: -64.367 tors. eta vs tors. theta energy: 36.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2647.082801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.082801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.082801 (E_RNA) where: Base-Base interactions energy: -1751.671 where: short stacking energy: -774.327 Base-Backbone interact. energy: -3.337 local terms energy: -892.074895 where: bonds (distance) C4'-P energy: -171.109 bonds (distance) P-C4' energy: -173.810 flat angles C4'-P-C4' energy: -187.519 flat angles P-C4'-P energy: -127.067 tors. eta vs tors. theta energy: -232.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2558.724630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.724630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.724630 (E_RNA) where: Base-Base interactions energy: -1701.074 where: short stacking energy: -763.025 Base-Backbone interact. energy: -3.321 local terms energy: -854.329925 where: bonds (distance) C4'-P energy: -166.733 bonds (distance) P-C4' energy: -161.521 flat angles C4'-P-C4' energy: -191.167 flat angles P-C4'-P energy: -116.339 tors. eta vs tors. theta energy: -218.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2449.904166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.904166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.904166 (E_RNA) where: Base-Base interactions energy: -1654.569 where: short stacking energy: -707.861 Base-Backbone interact. energy: -1.734 local terms energy: -793.601631 where: bonds (distance) C4'-P energy: -138.477 bonds (distance) P-C4' energy: -166.310 flat angles C4'-P-C4' energy: -189.830 flat angles P-C4'-P energy: -101.871 tors. eta vs tors. theta energy: -197.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2101.319354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.319354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.319354 (E_RNA) where: Base-Base interactions energy: -1363.693 where: short stacking energy: -597.844 Base-Backbone interact. energy: 1.579 local terms energy: -739.205352 where: bonds (distance) C4'-P energy: -144.819 bonds (distance) P-C4' energy: -164.976 flat angles C4'-P-C4' energy: -162.827 flat angles P-C4'-P energy: -108.124 tors. eta vs tors. theta energy: -158.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2040.533570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.533570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.533570 (E_RNA) where: Base-Base interactions energy: -1328.651 where: short stacking energy: -603.748 Base-Backbone interact. energy: -1.714 local terms energy: -710.167877 where: bonds (distance) C4'-P energy: -141.004 bonds (distance) P-C4' energy: -151.071 flat angles C4'-P-C4' energy: -162.952 flat angles P-C4'-P energy: -88.149 tors. eta vs tors. theta energy: -166.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1554.388782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.388782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.388782 (E_RNA) where: Base-Base interactions energy: -911.144 where: short stacking energy: -431.594 Base-Backbone interact. energy: -1.102 local terms energy: -642.143116 where: bonds (distance) C4'-P energy: -153.404 bonds (distance) P-C4' energy: -132.229 flat angles C4'-P-C4' energy: -167.153 flat angles P-C4'-P energy: -96.074 tors. eta vs tors. theta energy: -93.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1400.505582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.505582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.505582 (E_RNA) where: Base-Base interactions energy: -833.610 where: short stacking energy: -380.521 Base-Backbone interact. energy: 2.071 local terms energy: -568.966162 where: bonds (distance) C4'-P energy: -142.738 bonds (distance) P-C4' energy: -138.981 flat angles C4'-P-C4' energy: -149.116 flat angles P-C4'-P energy: -93.234 tors. eta vs tors. theta energy: -44.898 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: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1157.333568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.333568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.333568 (E_RNA) where: Base-Base interactions energy: -676.926 where: short stacking energy: -331.731 Base-Backbone interact. energy: 4.373 local terms energy: -484.780675 where: bonds (distance) C4'-P energy: -116.182 bonds (distance) P-C4' energy: -143.638 flat angles C4'-P-C4' energy: -124.215 flat angles P-C4'-P energy: -79.176 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: 2 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -761.821504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.821504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.821504 (E_RNA) where: Base-Base interactions energy: -330.224 where: short stacking energy: -234.511 Base-Backbone interact. energy: 3.447 local terms energy: -435.044412 where: bonds (distance) C4'-P energy: -128.486 bonds (distance) P-C4' energy: -146.132 flat angles C4'-P-C4' energy: -90.916 flat angles P-C4'-P energy: -70.824 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: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -615.470819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.470819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.470819 (E_RNA) where: Base-Base interactions energy: -251.474 where: short stacking energy: -196.220 Base-Backbone interact. energy: 2.126 local terms energy: -366.123445 where: bonds (distance) C4'-P energy: -108.908 bonds (distance) P-C4' energy: -127.548 flat angles C4'-P-C4' energy: -120.086 flat angles P-C4'-P energy: -62.593 tors. eta vs tors. theta energy: 53.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2676.245643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.245643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.245643 (E_RNA) where: Base-Base interactions energy: -1817.718 where: short stacking energy: -773.430 Base-Backbone interact. energy: -5.012 local terms energy: -853.514698 where: bonds (distance) C4'-P energy: -168.896 bonds (distance) P-C4' energy: -154.971 flat angles C4'-P-C4' energy: -179.142 flat angles P-C4'-P energy: -126.385 tors. eta vs tors. theta energy: -224.120 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: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2558.516356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.516356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.516356 (E_RNA) where: Base-Base interactions energy: -1760.174 where: short stacking energy: -728.777 Base-Backbone interact. energy: -5.616 local terms energy: -792.726187 where: bonds (distance) C4'-P energy: -169.860 bonds (distance) P-C4' energy: -145.227 flat angles C4'-P-C4' energy: -172.310 flat angles P-C4'-P energy: -111.704 tors. eta vs tors. theta energy: -193.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2477.755671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.755671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.755671 (E_RNA) where: Base-Base interactions energy: -1660.113 where: short stacking energy: -704.558 Base-Backbone interact. energy: -2.084 local terms energy: -815.558166 where: bonds (distance) C4'-P energy: -170.781 bonds (distance) P-C4' energy: -156.544 flat angles C4'-P-C4' energy: -170.956 flat angles P-C4'-P energy: -116.283 tors. eta vs tors. theta energy: -200.994 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: 4 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2153.520457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.520457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.520457 (E_RNA) where: Base-Base interactions energy: -1428.676 where: short stacking energy: -602.551 Base-Backbone interact. energy: -3.428 local terms energy: -721.416335 where: bonds (distance) C4'-P energy: -140.046 bonds (distance) P-C4' energy: -156.999 flat angles C4'-P-C4' energy: -171.646 flat angles P-C4'-P energy: -90.294 tors. eta vs tors. theta energy: -162.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2016.800178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.800178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.800178 (E_RNA) where: Base-Base interactions energy: -1317.900 where: short stacking energy: -596.847 Base-Backbone interact. energy: -2.488 local terms energy: -696.412119 where: bonds (distance) C4'-P energy: -143.032 bonds (distance) P-C4' energy: -146.709 flat angles C4'-P-C4' energy: -153.078 flat angles P-C4'-P energy: -88.732 tors. eta vs tors. theta energy: -164.860 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: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1471.059023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.059023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.059023 (E_RNA) where: Base-Base interactions energy: -875.440 where: short stacking energy: -426.388 Base-Backbone interact. energy: 0.015 local terms energy: -595.633336 where: bonds (distance) C4'-P energy: -145.195 bonds (distance) P-C4' energy: -140.875 flat angles C4'-P-C4' energy: -135.773 flat angles P-C4'-P energy: -87.975 tors. eta vs tors. theta energy: -85.816 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: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1360.725188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.725188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.725188 (E_RNA) where: Base-Base interactions energy: -796.168 where: short stacking energy: -408.549 Base-Backbone interact. energy: -1.562 local terms energy: -562.995260 where: bonds (distance) C4'-P energy: -127.213 bonds (distance) P-C4' energy: -159.114 flat angles C4'-P-C4' energy: -130.805 flat angles P-C4'-P energy: -79.711 tors. eta vs tors. theta energy: -66.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1170.162385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.162385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.162385 (E_RNA) where: Base-Base interactions energy: -637.306 where: short stacking energy: -318.332 Base-Backbone interact. energy: -1.320 local terms energy: -531.536221 where: bonds (distance) C4'-P energy: -138.390 bonds (distance) P-C4' energy: -157.087 flat angles C4'-P-C4' energy: -119.878 flat angles P-C4'-P energy: -84.319 tors. eta vs tors. theta energy: -31.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -778.719655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.719655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.719655 (E_RNA) where: Base-Base interactions energy: -343.134 where: short stacking energy: -232.914 Base-Backbone interact. energy: -1.821 local terms energy: -433.764156 where: bonds (distance) C4'-P energy: -132.640 bonds (distance) P-C4' energy: -143.441 flat angles C4'-P-C4' energy: -118.169 flat angles P-C4'-P energy: -56.982 tors. eta vs tors. theta energy: 17.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -643.501717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.501717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.501717 (E_RNA) where: Base-Base interactions energy: -213.070 where: short stacking energy: -138.537 Base-Backbone interact. energy: 2.418 local terms energy: -432.850324 where: bonds (distance) C4'-P energy: -136.678 bonds (distance) P-C4' energy: -157.652 flat angles C4'-P-C4' energy: -118.600 flat angles P-C4'-P energy: -63.689 tors. eta vs tors. theta energy: 43.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2659.567414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.567414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.567414 (E_RNA) where: Base-Base interactions energy: -1797.830 where: short stacking energy: -761.360 Base-Backbone interact. energy: -7.377 local terms energy: -854.360757 where: bonds (distance) C4'-P energy: -156.075 bonds (distance) P-C4' energy: -182.966 flat angles C4'-P-C4' energy: -181.366 flat angles P-C4'-P energy: -120.802 tors. eta vs tors. theta energy: -213.152 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: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2582.014337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.014337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.014337 (E_RNA) where: Base-Base interactions energy: -1765.873 where: short stacking energy: -745.236 Base-Backbone interact. energy: -5.661 local terms energy: -810.480484 where: bonds (distance) C4'-P energy: -146.914 bonds (distance) P-C4' energy: -168.122 flat angles C4'-P-C4' energy: -183.717 flat angles P-C4'-P energy: -113.292 tors. eta vs tors. theta energy: -198.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2460.232345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.232345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.232345 (E_RNA) where: Base-Base interactions energy: -1635.733 where: short stacking energy: -719.997 Base-Backbone interact. energy: -5.045 local terms energy: -819.454986 where: bonds (distance) C4'-P energy: -147.826 bonds (distance) P-C4' energy: -173.727 flat angles C4'-P-C4' energy: -177.841 flat angles P-C4'-P energy: -116.103 tors. eta vs tors. theta energy: -203.959 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: 62 Temperature: 1.050000 Total energy: -2182.879956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.879956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.879956 (E_RNA) where: Base-Base interactions energy: -1401.271 where: short stacking energy: -585.561 Base-Backbone interact. energy: -4.327 local terms energy: -777.282037 where: bonds (distance) C4'-P energy: -149.880 bonds (distance) P-C4' energy: -183.605 flat angles C4'-P-C4' energy: -156.607 flat angles P-C4'-P energy: -121.020 tors. eta vs tors. theta energy: -166.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2029.922558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.922558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.922558 (E_RNA) where: Base-Base interactions energy: -1319.054 where: short stacking energy: -577.862 Base-Backbone interact. energy: -4.412 local terms energy: -706.456478 where: bonds (distance) C4'-P energy: -144.722 bonds (distance) P-C4' energy: -147.345 flat angles C4'-P-C4' energy: -164.908 flat angles P-C4'-P energy: -104.963 tors. eta vs tors. theta energy: -144.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1470.326637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.326637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.326637 (E_RNA) where: Base-Base interactions energy: -893.562 where: short stacking energy: -441.259 Base-Backbone interact. energy: -5.273 local terms energy: -571.491000 where: bonds (distance) C4'-P energy: -137.341 bonds (distance) P-C4' energy: -145.555 flat angles C4'-P-C4' energy: -136.691 flat angles P-C4'-P energy: -84.336 tors. eta vs tors. theta energy: -67.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1353.127786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.127786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.127786 (E_RNA) where: Base-Base interactions energy: -784.537 where: short stacking energy: -383.419 Base-Backbone interact. energy: -4.493 local terms energy: -564.097199 where: bonds (distance) C4'-P energy: -130.221 bonds (distance) P-C4' energy: -143.944 flat angles C4'-P-C4' energy: -151.817 flat angles P-C4'-P energy: -90.196 tors. eta vs tors. theta energy: -47.920 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: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1218.371876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.371876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.371876 (E_RNA) where: Base-Base interactions energy: -677.301 where: short stacking energy: -329.633 Base-Backbone interact. energy: -3.611 local terms energy: -537.460411 where: bonds (distance) C4'-P energy: -125.420 bonds (distance) P-C4' energy: -158.691 flat angles C4'-P-C4' energy: -142.313 flat angles P-C4'-P energy: -79.249 tors. eta vs tors. theta energy: -31.788 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: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -811.960222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.960222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.960222 (E_RNA) where: Base-Base interactions energy: -342.259 where: short stacking energy: -213.836 Base-Backbone interact. energy: -1.752 local terms energy: -467.949003 where: bonds (distance) C4'-P energy: -143.972 bonds (distance) P-C4' energy: -132.436 flat angles C4'-P-C4' energy: -124.546 flat angles P-C4'-P energy: -71.095 tors. eta vs tors. theta energy: 4.100 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: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -605.246648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.246648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.246648 (E_RNA) where: Base-Base interactions energy: -180.397 where: short stacking energy: -136.831 Base-Backbone interact. energy: -3.841 local terms energy: -421.008747 where: bonds (distance) C4'-P energy: -130.728 bonds (distance) P-C4' energy: -144.009 flat angles C4'-P-C4' energy: -120.832 flat angles P-C4'-P energy: -56.778 tors. eta vs tors. theta energy: 31.338 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: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2637.631017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.631017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.631017 (E_RNA) where: Base-Base interactions energy: -1797.806 where: short stacking energy: -757.301 Base-Backbone interact. energy: -4.385 local terms energy: -835.439874 where: bonds (distance) C4'-P energy: -158.313 bonds (distance) P-C4' energy: -172.097 flat angles C4'-P-C4' energy: -182.504 flat angles P-C4'-P energy: -110.059 tors. eta vs tors. theta energy: -212.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2565.072201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.072201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.072201 (E_RNA) where: Base-Base interactions energy: -1755.291 where: short stacking energy: -742.614 Base-Backbone interact. energy: -5.953 local terms energy: -803.828160 where: bonds (distance) C4'-P energy: -163.615 bonds (distance) P-C4' energy: -139.627 flat angles C4'-P-C4' energy: -185.047 flat angles P-C4'-P energy: -113.005 tors. eta vs tors. theta energy: -202.534 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: 9 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2482.271815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.271815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.271815 (E_RNA) where: Base-Base interactions energy: -1690.611 where: short stacking energy: -710.286 Base-Backbone interact. energy: -2.502 local terms energy: -789.158690 where: bonds (distance) C4'-P energy: -134.798 bonds (distance) P-C4' energy: -153.832 flat angles C4'-P-C4' energy: -179.570 flat angles P-C4'-P energy: -117.459 tors. eta vs tors. theta energy: -203.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2133.560592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.560592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.560592 (E_RNA) where: Base-Base interactions energy: -1404.041 where: short stacking energy: -587.656 Base-Backbone interact. energy: -5.050 local terms energy: -724.469295 where: bonds (distance) C4'-P energy: -151.453 bonds (distance) P-C4' energy: -149.744 flat angles C4'-P-C4' energy: -170.805 flat angles P-C4'-P energy: -118.252 tors. eta vs tors. theta energy: -134.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2030.277729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.277729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.277729 (E_RNA) where: Base-Base interactions energy: -1313.847 where: short stacking energy: -593.393 Base-Backbone interact. energy: -0.520 local terms energy: -715.910226 where: bonds (distance) C4'-P energy: -145.772 bonds (distance) P-C4' energy: -154.610 flat angles C4'-P-C4' energy: -157.151 flat angles P-C4'-P energy: -102.108 tors. eta vs tors. theta energy: -156.270 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: 63 Temperature: 1.150000 Total energy: -1582.170655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.170655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.170655 (E_RNA) where: Base-Base interactions energy: -937.833 where: short stacking energy: -442.905 Base-Backbone interact. energy: -2.989 local terms energy: -641.349184 where: bonds (distance) C4'-P energy: -140.928 bonds (distance) P-C4' energy: -148.263 flat angles C4'-P-C4' energy: -158.930 flat angles P-C4'-P energy: -92.989 tors. eta vs tors. theta energy: -100.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1391.246123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.246123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.246123 (E_RNA) where: Base-Base interactions energy: -827.953 where: short stacking energy: -401.895 Base-Backbone interact. energy: -0.495 local terms energy: -562.798028 where: bonds (distance) C4'-P energy: -146.325 bonds (distance) P-C4' energy: -129.487 flat angles C4'-P-C4' energy: -133.311 flat angles P-C4'-P energy: -79.552 tors. eta vs tors. theta energy: -74.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1191.160451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.160451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.160451 (E_RNA) where: Base-Base interactions energy: -698.284 where: short stacking energy: -337.130 Base-Backbone interact. energy: 2.943 local terms energy: -495.819272 where: bonds (distance) C4'-P energy: -105.830 bonds (distance) P-C4' energy: -135.788 flat angles C4'-P-C4' energy: -150.270 flat angles P-C4'-P energy: -61.827 tors. eta vs tors. theta energy: -42.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -907.372518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.372518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.372518 (E_RNA) where: Base-Base interactions energy: -421.383 where: short stacking energy: -227.888 Base-Backbone interact. energy: 0.648 local terms energy: -486.637355 where: bonds (distance) C4'-P energy: -129.729 bonds (distance) P-C4' energy: -143.833 flat angles C4'-P-C4' energy: -121.937 flat angles P-C4'-P energy: -84.081 tors. eta vs tors. theta energy: -7.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -627.353892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.353892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.353892 (E_RNA) where: Base-Base interactions energy: -229.516 where: short stacking energy: -178.933 Base-Backbone interact. energy: 1.425 local terms energy: -399.263330 where: bonds (distance) C4'-P energy: -134.717 bonds (distance) P-C4' energy: -141.531 flat angles C4'-P-C4' energy: -110.553 flat angles P-C4'-P energy: -46.484 tors. eta vs tors. theta energy: 34.023 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: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2635.338717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.338717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.338717 (E_RNA) where: Base-Base interactions energy: -1762.826 where: short stacking energy: -733.495 Base-Backbone interact. energy: -3.628 local terms energy: -868.884404 where: bonds (distance) C4'-P energy: -162.636 bonds (distance) P-C4' energy: -170.389 flat angles C4'-P-C4' energy: -195.666 flat angles P-C4'-P energy: -127.408 tors. eta vs tors. theta energy: -212.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2570.108400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.108400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.108400 (E_RNA) where: Base-Base interactions energy: -1723.037 where: short stacking energy: -730.845 Base-Backbone interact. energy: -2.419 local terms energy: -844.652832 where: bonds (distance) C4'-P energy: -170.449 bonds (distance) P-C4' energy: -166.167 flat angles C4'-P-C4' energy: -191.223 flat angles P-C4'-P energy: -108.350 tors. eta vs tors. theta energy: -208.463 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: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2506.829413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.829413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.829413 (E_RNA) where: Base-Base interactions energy: -1659.102 where: short stacking energy: -681.799 Base-Backbone interact. energy: -5.729 local terms energy: -841.998227 where: bonds (distance) C4'-P energy: -172.941 bonds (distance) P-C4' energy: -157.944 flat angles C4'-P-C4' energy: -185.155 flat angles P-C4'-P energy: -121.121 tors. eta vs tors. theta energy: -204.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2165.032102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.032102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.032102 (E_RNA) where: Base-Base interactions energy: -1437.773 where: short stacking energy: -627.309 Base-Backbone interact. energy: 1.832 local terms energy: -729.091183 where: bonds (distance) C4'-P energy: -149.066 bonds (distance) P-C4' energy: -160.628 flat angles C4'-P-C4' energy: -158.357 flat angles P-C4'-P energy: -99.461 tors. eta vs tors. theta energy: -161.579 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: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2016.415595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.415595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.415595 (E_RNA) where: Base-Base interactions energy: -1296.025 where: short stacking energy: -610.759 Base-Backbone interact. energy: -0.422 local terms energy: -719.968715 where: bonds (distance) C4'-P energy: -161.302 bonds (distance) P-C4' energy: -128.143 flat angles C4'-P-C4' energy: -167.444 flat angles P-C4'-P energy: -105.646 tors. eta vs tors. theta energy: -157.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1502.443671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.443671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.443671 (E_RNA) where: Base-Base interactions energy: -883.842 where: short stacking energy: -435.989 Base-Backbone interact. energy: 0.618 local terms energy: -619.219319 where: bonds (distance) C4'-P energy: -142.216 bonds (distance) P-C4' energy: -158.231 flat angles C4'-P-C4' energy: -146.913 flat angles P-C4'-P energy: -88.293 tors. eta vs tors. theta energy: -83.566 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: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1460.460538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.460538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.460538 (E_RNA) where: Base-Base interactions energy: -854.868 where: short stacking energy: -415.976 Base-Backbone interact. energy: 0.246 local terms energy: -605.838849 where: bonds (distance) C4'-P energy: -149.970 bonds (distance) P-C4' energy: -142.753 flat angles C4'-P-C4' energy: -143.506 flat angles P-C4'-P energy: -94.180 tors. eta vs tors. theta energy: -75.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1223.261129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.261129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.261129 (E_RNA) where: Base-Base interactions energy: -699.233 where: short stacking energy: -347.775 Base-Backbone interact. energy: -0.717 local terms energy: -523.311012 where: bonds (distance) C4'-P energy: -135.429 bonds (distance) P-C4' energy: -141.515 flat angles C4'-P-C4' energy: -126.309 flat angles P-C4'-P energy: -72.208 tors. eta vs tors. theta energy: -47.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -895.756450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.756450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.756450 (E_RNA) where: Base-Base interactions energy: -427.338 where: short stacking energy: -274.531 Base-Backbone interact. energy: 5.723 local terms energy: -474.140990 where: bonds (distance) C4'-P energy: -147.618 bonds (distance) P-C4' energy: -125.778 flat angles C4'-P-C4' energy: -119.194 flat angles P-C4'-P energy: -84.948 tors. eta vs tors. theta energy: 3.396 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: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -609.896050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.896050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.896050 (E_RNA) where: Base-Base interactions energy: -242.336 where: short stacking energy: -177.771 Base-Backbone interact. energy: 7.598 local terms energy: -375.158736 where: bonds (distance) C4'-P energy: -126.623 bonds (distance) P-C4' energy: -139.768 flat angles C4'-P-C4' energy: -85.947 flat angles P-C4'-P energy: -52.134 tors. eta vs tors. theta energy: 29.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2634.263353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.263353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.263353 (E_RNA) where: Base-Base interactions energy: -1769.863 where: short stacking energy: -749.243 Base-Backbone interact. energy: -6.580 local terms energy: -857.820445 where: bonds (distance) C4'-P energy: -159.472 bonds (distance) P-C4' energy: -163.472 flat angles C4'-P-C4' energy: -181.793 flat angles P-C4'-P energy: -127.092 tors. eta vs tors. theta energy: -225.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2576.495869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.495869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.495869 (E_RNA) where: Base-Base interactions energy: -1767.413 where: short stacking energy: -739.205 Base-Backbone interact. energy: -0.508 local terms energy: -808.574730 where: bonds (distance) C4'-P energy: -159.270 bonds (distance) P-C4' energy: -138.038 flat angles C4'-P-C4' energy: -187.027 flat angles P-C4'-P energy: -104.828 tors. eta vs tors. theta energy: -219.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2481.850194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.850194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.850194 (E_RNA) where: Base-Base interactions energy: -1689.707 where: short stacking energy: -715.621 Base-Backbone interact. energy: 0.483 local terms energy: -792.626321 where: bonds (distance) C4'-P energy: -150.816 bonds (distance) P-C4' energy: -164.627 flat angles C4'-P-C4' energy: -162.681 flat angles P-C4'-P energy: -100.076 tors. eta vs tors. theta energy: -214.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2140.400017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.400017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.400017 (E_RNA) where: Base-Base interactions energy: -1401.916 where: short stacking energy: -611.554 Base-Backbone interact. energy: 2.304 local terms energy: -740.788844 where: bonds (distance) C4'-P energy: -148.207 bonds (distance) P-C4' energy: -145.712 flat angles C4'-P-C4' energy: -163.455 flat angles P-C4'-P energy: -127.785 tors. eta vs tors. theta energy: -155.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1985.580379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.580379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.580379 (E_RNA) where: Base-Base interactions energy: -1312.267 where: short stacking energy: -576.647 Base-Backbone interact. energy: 5.362 local terms energy: -678.675334 where: bonds (distance) C4'-P energy: -147.587 bonds (distance) P-C4' energy: -157.631 flat angles C4'-P-C4' energy: -157.465 flat angles P-C4'-P energy: -71.755 tors. eta vs tors. theta energy: -144.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1530.985720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.985720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.985720 (E_RNA) where: Base-Base interactions energy: -887.356 where: short stacking energy: -395.855 Base-Backbone interact. energy: -1.500 local terms energy: -642.129884 where: bonds (distance) C4'-P energy: -155.769 bonds (distance) P-C4' energy: -143.638 flat angles C4'-P-C4' energy: -165.389 flat angles P-C4'-P energy: -104.225 tors. eta vs tors. theta energy: -73.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1544.342525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.342525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.342525 (E_RNA) where: Base-Base interactions energy: -920.132 where: short stacking energy: -467.376 Base-Backbone interact. energy: 1.003 local terms energy: -625.212874 where: bonds (distance) C4'-P energy: -153.311 bonds (distance) P-C4' energy: -142.102 flat angles C4'-P-C4' energy: -127.713 flat angles P-C4'-P energy: -100.113 tors. eta vs tors. theta energy: -101.975 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: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1253.420139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.420139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.420139 (E_RNA) where: Base-Base interactions energy: -720.603 where: short stacking energy: -355.975 Base-Backbone interact. energy: -0.724 local terms energy: -532.092654 where: bonds (distance) C4'-P energy: -134.051 bonds (distance) P-C4' energy: -147.329 flat angles C4'-P-C4' energy: -140.083 flat angles P-C4'-P energy: -58.886 tors. eta vs tors. theta energy: -51.743 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: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -905.267182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.267182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.267182 (E_RNA) where: Base-Base interactions energy: -427.486 where: short stacking energy: -252.560 Base-Backbone interact. energy: 5.006 local terms energy: -482.787177 where: bonds (distance) C4'-P energy: -139.153 bonds (distance) P-C4' energy: -122.080 flat angles C4'-P-C4' energy: -129.629 flat angles P-C4'-P energy: -75.594 tors. eta vs tors. theta energy: -16.331 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: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -642.226515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.226515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.226515 (E_RNA) where: Base-Base interactions energy: -253.413 where: short stacking energy: -202.217 Base-Backbone interact. energy: -2.779 local terms energy: -386.034187 where: bonds (distance) C4'-P energy: -124.960 bonds (distance) P-C4' energy: -125.304 flat angles C4'-P-C4' energy: -79.673 flat angles P-C4'-P energy: -79.058 tors. eta vs tors. theta energy: 22.961 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: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2667.253852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.253852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.253852 (E_RNA) where: Base-Base interactions energy: -1825.987 where: short stacking energy: -788.048 Base-Backbone interact. energy: 3.219 local terms energy: -844.485898 where: bonds (distance) C4'-P energy: -174.478 bonds (distance) P-C4' energy: -156.953 flat angles C4'-P-C4' energy: -191.364 flat angles P-C4'-P energy: -101.155 tors. eta vs tors. theta energy: -220.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2604.926729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.926729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.926729 (E_RNA) where: Base-Base interactions energy: -1768.621 where: short stacking energy: -759.612 Base-Backbone interact. energy: -4.737 local terms energy: -831.568804 where: bonds (distance) C4'-P energy: -150.442 bonds (distance) P-C4' energy: -157.781 flat angles C4'-P-C4' energy: -177.949 flat angles P-C4'-P energy: -126.285 tors. eta vs tors. theta energy: -219.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2485.104144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.104144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.104144 (E_RNA) where: Base-Base interactions energy: -1671.130 where: short stacking energy: -725.309 Base-Backbone interact. energy: -5.568 local terms energy: -808.405823 where: bonds (distance) C4'-P energy: -150.863 bonds (distance) P-C4' energy: -160.850 flat angles C4'-P-C4' energy: -164.542 flat angles P-C4'-P energy: -120.729 tors. eta vs tors. theta energy: -211.421 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: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2134.663754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.663754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.663754 (E_RNA) where: Base-Base interactions energy: -1389.259 where: short stacking energy: -625.748 Base-Backbone interact. energy: -3.184 local terms energy: -742.221062 where: bonds (distance) C4'-P energy: -149.481 bonds (distance) P-C4' energy: -153.869 flat angles C4'-P-C4' energy: -167.184 flat angles P-C4'-P energy: -123.310 tors. eta vs tors. theta energy: -148.377 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: 66 Temperature: 1.100000 Total energy: -2057.814441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.814441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.814441 (E_RNA) where: Base-Base interactions energy: -1314.274 where: short stacking energy: -576.419 Base-Backbone interact. energy: -3.945 local terms energy: -739.595049 where: bonds (distance) C4'-P energy: -160.157 bonds (distance) P-C4' energy: -163.257 flat angles C4'-P-C4' energy: -165.185 flat angles P-C4'-P energy: -104.313 tors. eta vs tors. theta energy: -146.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1477.047098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.047098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.047098 (E_RNA) where: Base-Base interactions energy: -864.791 where: short stacking energy: -413.553 Base-Backbone interact. energy: 1.051 local terms energy: -613.307707 where: bonds (distance) C4'-P energy: -142.366 bonds (distance) P-C4' energy: -158.630 flat angles C4'-P-C4' energy: -151.215 flat angles P-C4'-P energy: -85.949 tors. eta vs tors. theta energy: -75.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1472.251360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.251360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.251360 (E_RNA) where: Base-Base interactions energy: -868.266 where: short stacking energy: -450.534 Base-Backbone interact. energy: 3.784 local terms energy: -607.769691 where: bonds (distance) C4'-P energy: -137.935 bonds (distance) P-C4' energy: -135.326 flat angles C4'-P-C4' energy: -143.409 flat angles P-C4'-P energy: -95.892 tors. eta vs tors. theta energy: -95.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1167.275015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.275015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.275015 (E_RNA) where: Base-Base interactions energy: -650.191 where: short stacking energy: -313.357 Base-Backbone interact. energy: 5.957 local terms energy: -523.040812 where: bonds (distance) C4'-P energy: -135.947 bonds (distance) P-C4' energy: -122.942 flat angles C4'-P-C4' energy: -150.329 flat angles P-C4'-P energy: -81.766 tors. eta vs tors. theta energy: -32.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -887.107989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.107989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.107989 (E_RNA) where: Base-Base interactions energy: -460.459 where: short stacking energy: -268.487 Base-Backbone interact. energy: -1.354 local terms energy: -425.294715 where: bonds (distance) C4'-P energy: -106.731 bonds (distance) P-C4' energy: -145.501 flat angles C4'-P-C4' energy: -118.902 flat angles P-C4'-P energy: -71.578 tors. eta vs tors. theta energy: 17.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -697.803305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.803305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.803305 (E_RNA) where: Base-Base interactions energy: -254.347 where: short stacking energy: -160.788 Base-Backbone interact. energy: -1.672 local terms energy: -441.784319 where: bonds (distance) C4'-P energy: -137.258 bonds (distance) P-C4' energy: -154.977 flat angles C4'-P-C4' energy: -129.672 flat angles P-C4'-P energy: -57.338 tors. eta vs tors. theta energy: 37.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2652.225174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.225174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.225174 (E_RNA) where: Base-Base interactions energy: -1809.199 where: short stacking energy: -724.848 Base-Backbone interact. energy: -5.896 local terms energy: -837.130277 where: bonds (distance) C4'-P energy: -157.749 bonds (distance) P-C4' energy: -166.379 flat angles C4'-P-C4' energy: -183.757 flat angles P-C4'-P energy: -118.263 tors. eta vs tors. theta energy: -210.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2675.316872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.316872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.316872 (E_RNA) where: Base-Base interactions energy: -1827.217 where: short stacking energy: -778.352 Base-Backbone interact. energy: -0.699 local terms energy: -847.400500 where: bonds (distance) C4'-P energy: -164.276 bonds (distance) P-C4' energy: -165.122 flat angles C4'-P-C4' energy: -178.262 flat angles P-C4'-P energy: -116.887 tors. eta vs tors. theta energy: -222.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2494.885314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.885314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.885314 (E_RNA) where: Base-Base interactions energy: -1673.961 where: short stacking energy: -700.070 Base-Backbone interact. energy: -0.074 local terms energy: -820.849793 where: bonds (distance) C4'-P energy: -165.251 bonds (distance) P-C4' energy: -175.666 flat angles C4'-P-C4' energy: -174.147 flat angles P-C4'-P energy: -106.594 tors. eta vs tors. theta energy: -199.192 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: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2103.417442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.417442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.417442 (E_RNA) where: Base-Base interactions energy: -1350.005 where: short stacking energy: -615.959 Base-Backbone interact. energy: -1.889 local terms energy: -751.523227 where: bonds (distance) C4'-P energy: -171.648 bonds (distance) P-C4' energy: -143.224 flat angles C4'-P-C4' energy: -172.041 flat angles P-C4'-P energy: -107.408 tors. eta vs tors. theta energy: -157.202 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: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2075.665595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.665595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.665595 (E_RNA) where: Base-Base interactions energy: -1353.874 where: short stacking energy: -578.140 Base-Backbone interact. energy: -1.723 local terms energy: -720.068235 where: bonds (distance) C4'-P energy: -149.914 bonds (distance) P-C4' energy: -156.356 flat angles C4'-P-C4' energy: -175.321 flat angles P-C4'-P energy: -90.293 tors. eta vs tors. theta energy: -148.185 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: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1669.907497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.907497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.907497 (E_RNA) where: Base-Base interactions energy: -1030.646 where: short stacking energy: -492.870 Base-Backbone interact. energy: -0.137 local terms energy: -639.123714 where: bonds (distance) C4'-P energy: -152.140 bonds (distance) P-C4' energy: -148.324 flat angles C4'-P-C4' energy: -152.684 flat angles P-C4'-P energy: -85.211 tors. eta vs tors. theta energy: -100.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1414.976284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.976284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.976284 (E_RNA) where: Base-Base interactions energy: -801.021 where: short stacking energy: -390.695 Base-Backbone interact. energy: -0.208 local terms energy: -613.746706 where: bonds (distance) C4'-P energy: -139.454 bonds (distance) P-C4' energy: -153.682 flat angles C4'-P-C4' energy: -147.244 flat angles P-C4'-P energy: -89.407 tors. eta vs tors. theta energy: -83.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1159.584818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.584818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.584818 (E_RNA) where: Base-Base interactions energy: -651.264 where: short stacking energy: -332.019 Base-Backbone interact. energy: -3.892 local terms energy: -504.428621 where: bonds (distance) C4'-P energy: -148.374 bonds (distance) P-C4' energy: -139.785 flat angles C4'-P-C4' energy: -123.741 flat angles P-C4'-P energy: -80.514 tors. eta vs tors. theta energy: -12.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -875.413125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.413125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.413125 (E_RNA) where: Base-Base interactions energy: -442.734 where: short stacking energy: -255.166 Base-Backbone interact. energy: 0.182 local terms energy: -432.861702 where: bonds (distance) C4'-P energy: -131.541 bonds (distance) P-C4' energy: -132.865 flat angles C4'-P-C4' energy: -118.737 flat angles P-C4'-P energy: -50.450 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -716.546857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.546857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.546857 (E_RNA) where: Base-Base interactions energy: -319.845 where: short stacking energy: -208.964 Base-Backbone interact. energy: -4.147 local terms energy: -392.554878 where: bonds (distance) C4'-P energy: -122.008 bonds (distance) P-C4' energy: -117.590 flat angles C4'-P-C4' energy: -124.150 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: 24.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2748.677001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.677001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.677001 (E_RNA) where: Base-Base interactions energy: -1881.469 where: short stacking energy: -805.722 Base-Backbone interact. energy: -5.883 local terms energy: -861.324413 where: bonds (distance) C4'-P energy: -155.424 bonds (distance) P-C4' energy: -180.180 flat angles C4'-P-C4' energy: -177.580 flat angles P-C4'-P energy: -122.782 tors. eta vs tors. theta energy: -225.357 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: 1 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2686.723358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.723358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.723358 (E_RNA) where: Base-Base interactions energy: -1864.786 where: short stacking energy: -743.088 Base-Backbone interact. energy: -5.416 local terms energy: -816.520523 where: bonds (distance) C4'-P energy: -160.176 bonds (distance) P-C4' energy: -160.569 flat angles C4'-P-C4' energy: -170.726 flat angles P-C4'-P energy: -114.812 tors. eta vs tors. theta energy: -210.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2398.511362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.511362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.511362 (E_RNA) where: Base-Base interactions energy: -1595.568 where: short stacking energy: -702.082 Base-Backbone interact. energy: 3.117 local terms energy: -806.060542 where: bonds (distance) C4'-P energy: -151.172 bonds (distance) P-C4' energy: -155.611 flat angles C4'-P-C4' energy: -169.208 flat angles P-C4'-P energy: -124.972 tors. eta vs tors. theta energy: -205.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2130.920841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.920841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.920841 (E_RNA) where: Base-Base interactions energy: -1394.263 where: short stacking energy: -644.070 Base-Backbone interact. energy: 0.814 local terms energy: -737.471747 where: bonds (distance) C4'-P energy: -148.387 bonds (distance) P-C4' energy: -146.156 flat angles C4'-P-C4' energy: -164.351 flat angles P-C4'-P energy: -107.235 tors. eta vs tors. theta energy: -171.343 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: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2171.957227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.957227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.957227 (E_RNA) where: Base-Base interactions energy: -1458.889 where: short stacking energy: -588.814 Base-Backbone interact. energy: -2.719 local terms energy: -710.349328 where: bonds (distance) C4'-P energy: -141.585 bonds (distance) P-C4' energy: -148.542 flat angles C4'-P-C4' energy: -166.247 flat angles P-C4'-P energy: -105.665 tors. eta vs tors. theta energy: -148.311 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: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1621.246126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.246126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.246126 (E_RNA) where: Base-Base interactions energy: -980.102 where: short stacking energy: -459.288 Base-Backbone interact. energy: -0.456 local terms energy: -640.687711 where: bonds (distance) C4'-P energy: -162.112 bonds (distance) P-C4' energy: -139.999 flat angles C4'-P-C4' energy: -160.571 flat angles P-C4'-P energy: -93.814 tors. eta vs tors. theta energy: -84.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1409.963732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.963732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.963732 (E_RNA) where: Base-Base interactions energy: -825.668 where: short stacking energy: -391.856 Base-Backbone interact. energy: 1.699 local terms energy: -585.994066 where: bonds (distance) C4'-P energy: -149.824 bonds (distance) P-C4' energy: -151.202 flat angles C4'-P-C4' energy: -136.054 flat angles P-C4'-P energy: -74.846 tors. eta vs tors. theta energy: -74.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1159.023264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.023264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.023264 (E_RNA) where: Base-Base interactions energy: -631.341 where: short stacking energy: -344.159 Base-Backbone interact. energy: -2.128 local terms energy: -525.554123 where: bonds (distance) C4'-P energy: -120.102 bonds (distance) P-C4' energy: -134.383 flat angles C4'-P-C4' energy: -138.234 flat angles P-C4'-P energy: -82.357 tors. eta vs tors. theta energy: -50.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -940.829268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.829268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.829268 (E_RNA) where: Base-Base interactions energy: -435.411 where: short stacking energy: -232.159 Base-Backbone interact. energy: 0.200 local terms energy: -505.618756 where: bonds (distance) C4'-P energy: -148.959 bonds (distance) P-C4' energy: -152.404 flat angles C4'-P-C4' energy: -131.550 flat angles P-C4'-P energy: -70.930 tors. eta vs tors. theta energy: -1.776 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: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -621.752569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.752569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.752569 (E_RNA) where: Base-Base interactions energy: -226.151 where: short stacking energy: -178.299 Base-Backbone interact. energy: 1.402 local terms energy: -397.003866 where: bonds (distance) C4'-P energy: -107.201 bonds (distance) P-C4' energy: -117.378 flat angles C4'-P-C4' energy: -119.681 flat angles P-C4'-P energy: -71.726 tors. eta vs tors. theta energy: 18.982 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: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2736.918095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.918095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.918095 (E_RNA) where: Base-Base interactions energy: -1908.951 where: short stacking energy: -771.939 Base-Backbone interact. energy: -3.795 local terms energy: -824.171978 where: bonds (distance) C4'-P energy: -153.128 bonds (distance) P-C4' energy: -166.741 flat angles C4'-P-C4' energy: -178.274 flat angles P-C4'-P energy: -99.166 tors. eta vs tors. theta energy: -226.862 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: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2647.302336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.302336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.302336 (E_RNA) where: Base-Base interactions energy: -1802.335 where: short stacking energy: -722.716 Base-Backbone interact. energy: -5.350 local terms energy: -839.617122 where: bonds (distance) C4'-P energy: -157.623 bonds (distance) P-C4' energy: -173.755 flat angles C4'-P-C4' energy: -169.980 flat angles P-C4'-P energy: -123.998 tors. eta vs tors. theta energy: -214.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2444.623262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.623262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.623262 (E_RNA) where: Base-Base interactions energy: -1651.503 where: short stacking energy: -723.065 Base-Backbone interact. energy: 6.738 local terms energy: -799.857863 where: bonds (distance) C4'-P energy: -134.910 bonds (distance) P-C4' energy: -177.518 flat angles C4'-P-C4' energy: -180.341 flat angles P-C4'-P energy: -101.255 tors. eta vs tors. theta energy: -205.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2259.171949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.171949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.171949 (E_RNA) where: Base-Base interactions energy: -1474.440 where: short stacking energy: -672.456 Base-Backbone interact. energy: -3.542 local terms energy: -781.189645 where: bonds (distance) C4'-P energy: -151.683 bonds (distance) P-C4' energy: -153.463 flat angles C4'-P-C4' energy: -174.767 flat angles P-C4'-P energy: -121.821 tors. eta vs tors. theta energy: -179.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2083.682938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.682938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.682938 (E_RNA) where: Base-Base interactions energy: -1350.914 where: short stacking energy: -607.618 Base-Backbone interact. energy: -0.699 local terms energy: -732.070028 where: bonds (distance) C4'-P energy: -146.382 bonds (distance) P-C4' energy: -166.430 flat angles C4'-P-C4' energy: -177.175 flat angles P-C4'-P energy: -101.740 tors. eta vs tors. theta energy: -140.344 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: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1699.712877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.712877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.712877 (E_RNA) where: Base-Base interactions energy: -1081.959 where: short stacking energy: -495.802 Base-Backbone interact. energy: -0.260 local terms energy: -617.493436 where: bonds (distance) C4'-P energy: -139.176 bonds (distance) P-C4' energy: -141.202 flat angles C4'-P-C4' energy: -143.132 flat angles P-C4'-P energy: -93.966 tors. eta vs tors. theta energy: -100.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1399.997860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.997860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.997860 (E_RNA) where: Base-Base interactions energy: -812.342 where: short stacking energy: -418.021 Base-Backbone interact. energy: 2.178 local terms energy: -589.834321 where: bonds (distance) C4'-P energy: -138.577 bonds (distance) P-C4' energy: -165.026 flat angles C4'-P-C4' energy: -112.577 flat angles P-C4'-P energy: -92.295 tors. eta vs tors. theta energy: -81.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1159.648850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.648850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.648850 (E_RNA) where: Base-Base interactions energy: -650.251 where: short stacking energy: -318.839 Base-Backbone interact. energy: -3.775 local terms energy: -505.622440 where: bonds (distance) C4'-P energy: -148.681 bonds (distance) P-C4' energy: -161.272 flat angles C4'-P-C4' energy: -122.953 flat angles P-C4'-P energy: -67.464 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: 9, replica: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -948.579578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.579578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.579578 (E_RNA) where: Base-Base interactions energy: -495.969 where: short stacking energy: -283.120 Base-Backbone interact. energy: 2.910 local terms energy: -455.520969 where: bonds (distance) C4'-P energy: -119.422 bonds (distance) P-C4' energy: -130.221 flat angles C4'-P-C4' energy: -118.761 flat angles P-C4'-P energy: -73.393 tors. eta vs tors. theta energy: -13.724 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: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -606.955681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.955681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.955681 (E_RNA) where: Base-Base interactions energy: -185.010 where: short stacking energy: -156.688 Base-Backbone interact. energy: 3.429 local terms energy: -425.374358 where: bonds (distance) C4'-P energy: -131.089 bonds (distance) P-C4' energy: -133.208 flat angles C4'-P-C4' energy: -111.922 flat angles P-C4'-P energy: -72.623 tors. eta vs tors. theta energy: 23.469 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: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2723.618772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.618772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.618772 (E_RNA) where: Base-Base interactions energy: -1882.204 where: short stacking energy: -777.541 Base-Backbone interact. energy: -3.970 local terms energy: -837.443845 where: bonds (distance) C4'-P energy: -158.245 bonds (distance) P-C4' energy: -158.669 flat angles C4'-P-C4' energy: -175.727 flat angles P-C4'-P energy: -123.607 tors. eta vs tors. theta energy: -221.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2657.042452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.042452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.042452 (E_RNA) where: Base-Base interactions energy: -1818.348 where: short stacking energy: -735.816 Base-Backbone interact. energy: -4.341 local terms energy: -834.353576 where: bonds (distance) C4'-P energy: -151.220 bonds (distance) P-C4' energy: -170.807 flat angles C4'-P-C4' energy: -174.450 flat angles P-C4'-P energy: -116.128 tors. eta vs tors. theta energy: -221.749 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: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2463.413904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.413904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.413904 (E_RNA) where: Base-Base interactions energy: -1653.540 where: short stacking energy: -728.434 Base-Backbone interact. energy: -4.752 local terms energy: -805.121711 where: bonds (distance) C4'-P energy: -157.291 bonds (distance) P-C4' energy: -151.745 flat angles C4'-P-C4' energy: -179.668 flat angles P-C4'-P energy: -107.895 tors. eta vs tors. theta energy: -208.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2223.370181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.370181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.370181 (E_RNA) where: Base-Base interactions energy: -1463.383 where: short stacking energy: -650.162 Base-Backbone interact. energy: 3.140 local terms energy: -763.126301 where: bonds (distance) C4'-P energy: -160.572 bonds (distance) P-C4' energy: -172.746 flat angles C4'-P-C4' energy: -164.810 flat angles P-C4'-P energy: -97.590 tors. eta vs tors. theta energy: -167.408 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: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2044.823711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.823711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.823711 (E_RNA) where: Base-Base interactions energy: -1337.876 where: short stacking energy: -572.361 Base-Backbone interact. energy: 1.638 local terms energy: -708.585449 where: bonds (distance) C4'-P energy: -155.040 bonds (distance) P-C4' energy: -145.264 flat angles C4'-P-C4' energy: -160.327 flat angles P-C4'-P energy: -95.695 tors. eta vs tors. theta energy: -152.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1620.813258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.813258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.813258 (E_RNA) where: Base-Base interactions energy: -998.472 where: short stacking energy: -492.225 Base-Backbone interact. energy: -4.214 local terms energy: -618.127612 where: bonds (distance) C4'-P energy: -127.123 bonds (distance) P-C4' energy: -155.519 flat angles C4'-P-C4' energy: -152.753 flat angles P-C4'-P energy: -90.412 tors. eta vs tors. theta energy: -92.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1359.627438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.627438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.627438 (E_RNA) where: Base-Base interactions energy: -773.516 where: short stacking energy: -402.325 Base-Backbone interact. energy: 0.536 local terms energy: -586.646698 where: bonds (distance) C4'-P energy: -164.353 bonds (distance) P-C4' energy: -142.032 flat angles C4'-P-C4' energy: -132.698 flat angles P-C4'-P energy: -77.425 tors. eta vs tors. theta energy: -70.138 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: 5 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1086.786053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.786053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.786053 (E_RNA) where: Base-Base interactions energy: -577.395 where: short stacking energy: -289.231 Base-Backbone interact. energy: 4.401 local terms energy: -513.792049 where: bonds (distance) C4'-P energy: -149.086 bonds (distance) P-C4' energy: -145.403 flat angles C4'-P-C4' energy: -136.795 flat angles P-C4'-P energy: -65.584 tors. eta vs tors. theta energy: -16.924 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: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -966.715101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.715101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.715101 (E_RNA) where: Base-Base interactions energy: -470.658 where: short stacking energy: -270.712 Base-Backbone interact. energy: 1.087 local terms energy: -497.144905 where: bonds (distance) C4'-P energy: -124.419 bonds (distance) P-C4' energy: -144.789 flat angles C4'-P-C4' energy: -124.485 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -14.994 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: 70 Temperature: 1.350000 Total energy: -638.523014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.523014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.523014 (E_RNA) where: Base-Base interactions energy: -222.071 where: short stacking energy: -176.961 Base-Backbone interact. energy: -2.004 local terms energy: -414.448614 where: bonds (distance) C4'-P energy: -133.941 bonds (distance) P-C4' energy: -139.005 flat angles C4'-P-C4' energy: -101.777 flat angles P-C4'-P energy: -67.264 tors. eta vs tors. theta energy: 27.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2662.175895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.175895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.175895 (E_RNA) where: Base-Base interactions energy: -1808.511 where: short stacking energy: -755.416 Base-Backbone interact. energy: -3.690 local terms energy: -849.974667 where: bonds (distance) C4'-P energy: -162.528 bonds (distance) P-C4' energy: -159.387 flat angles C4'-P-C4' energy: -178.975 flat angles P-C4'-P energy: -135.552 tors. eta vs tors. theta energy: -213.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2682.629555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.629555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.629555 (E_RNA) where: Base-Base interactions energy: -1825.742 where: short stacking energy: -782.606 Base-Backbone interact. energy: -2.256 local terms energy: -854.631631 where: bonds (distance) C4'-P energy: -151.790 bonds (distance) P-C4' energy: -169.317 flat angles C4'-P-C4' energy: -188.344 flat angles P-C4'-P energy: -112.399 tors. eta vs tors. theta energy: -232.783 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: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2493.488576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.488576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.488576 (E_RNA) where: Base-Base interactions energy: -1661.657 where: short stacking energy: -718.810 Base-Backbone interact. energy: 2.475 local terms energy: -834.306524 where: bonds (distance) C4'-P energy: -153.251 bonds (distance) P-C4' energy: -156.755 flat angles C4'-P-C4' energy: -182.917 flat angles P-C4'-P energy: -126.466 tors. eta vs tors. theta energy: -214.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2157.684091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.684091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.684091 (E_RNA) where: Base-Base interactions energy: -1411.888 where: short stacking energy: -645.202 Base-Backbone interact. energy: -1.546 local terms energy: -744.250484 where: bonds (distance) C4'-P energy: -148.729 bonds (distance) P-C4' energy: -157.591 flat angles C4'-P-C4' energy: -173.235 flat angles P-C4'-P energy: -102.978 tors. eta vs tors. theta energy: -161.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2046.380012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.380012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.380012 (E_RNA) where: Base-Base interactions energy: -1322.969 where: short stacking energy: -585.806 Base-Backbone interact. energy: -0.937 local terms energy: -722.474413 where: bonds (distance) C4'-P energy: -148.411 bonds (distance) P-C4' energy: -136.548 flat angles C4'-P-C4' energy: -171.990 flat angles P-C4'-P energy: -122.383 tors. eta vs tors. theta energy: -143.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1664.064072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.064072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.064072 (E_RNA) where: Base-Base interactions energy: -1046.919 where: short stacking energy: -468.306 Base-Backbone interact. energy: -0.240 local terms energy: -616.905309 where: bonds (distance) C4'-P energy: -146.270 bonds (distance) P-C4' energy: -122.051 flat angles C4'-P-C4' energy: -152.342 flat angles P-C4'-P energy: -100.205 tors. eta vs tors. theta energy: -96.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1352.399142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.399142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.399142 (E_RNA) where: Base-Base interactions energy: -793.739 where: short stacking energy: -390.652 Base-Backbone interact. energy: -2.381 local terms energy: -556.279294 where: bonds (distance) C4'-P energy: -153.367 bonds (distance) P-C4' energy: -148.920 flat angles C4'-P-C4' energy: -121.220 flat angles P-C4'-P energy: -72.603 tors. eta vs tors. theta energy: -60.169 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: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1102.941581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.941581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.941581 (E_RNA) where: Base-Base interactions energy: -588.737 where: short stacking energy: -293.269 Base-Backbone interact. energy: -1.055 local terms energy: -513.149351 where: bonds (distance) C4'-P energy: -106.314 bonds (distance) P-C4' energy: -157.304 flat angles C4'-P-C4' energy: -138.487 flat angles P-C4'-P energy: -96.360 tors. eta vs tors. theta energy: -14.685 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: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -928.125090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.125090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.125090 (E_RNA) where: Base-Base interactions energy: -423.886 where: short stacking energy: -264.233 Base-Backbone interact. energy: 0.963 local terms energy: -505.201564 where: bonds (distance) C4'-P energy: -140.782 bonds (distance) P-C4' energy: -136.400 flat angles C4'-P-C4' energy: -138.992 flat angles P-C4'-P energy: -83.124 tors. eta vs tors. theta energy: -5.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -602.189979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.189979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.189979 (E_RNA) where: Base-Base interactions energy: -207.377 where: short stacking energy: -163.521 Base-Backbone interact. energy: -1.924 local terms energy: -392.888662 where: bonds (distance) C4'-P energy: -141.415 bonds (distance) P-C4' energy: -117.505 flat angles C4'-P-C4' energy: -116.110 flat angles P-C4'-P energy: -47.553 tors. eta vs tors. theta energy: 29.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2763.947259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.947259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.947259 (E_RNA) where: Base-Base interactions energy: -1881.895 where: short stacking energy: -787.812 Base-Backbone interact. energy: -0.865 local terms energy: -881.187554 where: bonds (distance) C4'-P energy: -160.098 bonds (distance) P-C4' energy: -170.411 flat angles C4'-P-C4' energy: -186.779 flat angles P-C4'-P energy: -122.614 tors. eta vs tors. theta energy: -241.286 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: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2640.281283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.281283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.281283 (E_RNA) where: Base-Base interactions energy: -1793.512 where: short stacking energy: -771.782 Base-Backbone interact. energy: 1.147 local terms energy: -847.917213 where: bonds (distance) C4'-P energy: -166.686 bonds (distance) P-C4' energy: -160.007 flat angles C4'-P-C4' energy: -179.239 flat angles P-C4'-P energy: -128.629 tors. eta vs tors. theta energy: -213.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2492.821873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.821873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.821873 (E_RNA) where: Base-Base interactions energy: -1640.852 where: short stacking energy: -709.805 Base-Backbone interact. energy: 2.952 local terms energy: -854.921420 where: bonds (distance) C4'-P energy: -159.299 bonds (distance) P-C4' energy: -177.847 flat angles C4'-P-C4' energy: -168.859 flat angles P-C4'-P energy: -124.240 tors. eta vs tors. theta energy: -224.676 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: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2178.661617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.661617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.661617 (E_RNA) where: Base-Base interactions energy: -1409.668 where: short stacking energy: -641.415 Base-Backbone interact. energy: -3.341 local terms energy: -765.652090 where: bonds (distance) C4'-P energy: -165.484 bonds (distance) P-C4' energy: -154.561 flat angles C4'-P-C4' energy: -165.016 flat angles P-C4'-P energy: -97.755 tors. eta vs tors. theta energy: -182.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2095.096343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.096343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.096343 (E_RNA) where: Base-Base interactions energy: -1358.668 where: short stacking energy: -567.052 Base-Backbone interact. energy: -1.620 local terms energy: -734.808630 where: bonds (distance) C4'-P energy: -158.965 bonds (distance) P-C4' energy: -134.577 flat angles C4'-P-C4' energy: -166.956 flat angles P-C4'-P energy: -116.738 tors. eta vs tors. theta energy: -157.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1602.110377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.110377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.110377 (E_RNA) where: Base-Base interactions energy: -947.324 where: short stacking energy: -476.469 Base-Backbone interact. energy: -3.400 local terms energy: -651.386255 where: bonds (distance) C4'-P energy: -147.593 bonds (distance) P-C4' energy: -162.761 flat angles C4'-P-C4' energy: -142.811 flat angles P-C4'-P energy: -104.521 tors. eta vs tors. theta energy: -93.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1287.118381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.118381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.118381 (E_RNA) where: Base-Base interactions energy: -751.599 where: short stacking energy: -363.600 Base-Backbone interact. energy: -1.215 local terms energy: -534.304486 where: bonds (distance) C4'-P energy: -120.706 bonds (distance) P-C4' energy: -123.722 flat angles C4'-P-C4' energy: -141.911 flat angles P-C4'-P energy: -88.357 tors. eta vs tors. theta energy: -59.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1065.837974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.837974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.837974 (E_RNA) where: Base-Base interactions energy: -579.331 where: short stacking energy: -317.509 Base-Backbone interact. energy: -1.390 local terms energy: -485.117188 where: bonds (distance) C4'-P energy: -131.635 bonds (distance) P-C4' energy: -125.361 flat angles C4'-P-C4' energy: -122.348 flat angles P-C4'-P energy: -65.695 tors. eta vs tors. theta energy: -40.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -891.723383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.723383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.723383 (E_RNA) where: Base-Base interactions energy: -407.694 where: short stacking energy: -224.518 Base-Backbone interact. energy: -1.759 local terms energy: -482.270607 where: bonds (distance) C4'-P energy: -141.254 bonds (distance) P-C4' energy: -128.012 flat angles C4'-P-C4' energy: -132.845 flat angles P-C4'-P energy: -91.541 tors. eta vs tors. theta energy: 11.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -589.957240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.957240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.957240 (E_RNA) where: Base-Base interactions energy: -195.622 where: short stacking energy: -137.139 Base-Backbone interact. energy: 4.645 local terms energy: -398.980484 where: bonds (distance) C4'-P energy: -114.133 bonds (distance) P-C4' energy: -143.519 flat angles C4'-P-C4' energy: -113.570 flat angles P-C4'-P energy: -82.072 tors. eta vs tors. theta energy: 54.314 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: 1 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2758.949261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.949261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.949261 (E_RNA) where: Base-Base interactions energy: -1877.663 where: short stacking energy: -767.039 Base-Backbone interact. energy: -1.687 local terms energy: -879.599138 where: bonds (distance) C4'-P energy: -170.284 bonds (distance) P-C4' energy: -174.669 flat angles C4'-P-C4' energy: -195.182 flat angles P-C4'-P energy: -111.114 tors. eta vs tors. theta energy: -228.350 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: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2601.247728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.247728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.247728 (E_RNA) where: Base-Base interactions energy: -1744.935 where: short stacking energy: -749.191 Base-Backbone interact. energy: -8.905 local terms energy: -847.407690 where: bonds (distance) C4'-P energy: -164.559 bonds (distance) P-C4' energy: -163.501 flat angles C4'-P-C4' energy: -182.468 flat angles P-C4'-P energy: -111.947 tors. eta vs tors. theta energy: -224.932 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: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2493.288452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.288452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.288452 (E_RNA) where: Base-Base interactions energy: -1686.367 where: short stacking energy: -729.083 Base-Backbone interact. energy: -3.189 local terms energy: -803.732667 where: bonds (distance) C4'-P energy: -139.985 bonds (distance) P-C4' energy: -143.179 flat angles C4'-P-C4' energy: -181.655 flat angles P-C4'-P energy: -120.486 tors. eta vs tors. theta energy: -218.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2232.985595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.985595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.985595 (E_RNA) where: Base-Base interactions energy: -1461.358 where: short stacking energy: -646.694 Base-Backbone interact. energy: -2.325 local terms energy: -769.302466 where: bonds (distance) C4'-P energy: -149.010 bonds (distance) P-C4' energy: -162.811 flat angles C4'-P-C4' energy: -178.067 flat angles P-C4'-P energy: -110.852 tors. eta vs tors. theta energy: -168.562 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: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2079.855103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.855103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.855103 (E_RNA) where: Base-Base interactions energy: -1382.077 where: short stacking energy: -595.545 Base-Backbone interact. energy: -1.551 local terms energy: -696.227806 where: bonds (distance) C4'-P energy: -130.632 bonds (distance) P-C4' energy: -144.823 flat angles C4'-P-C4' energy: -170.688 flat angles P-C4'-P energy: -94.541 tors. eta vs tors. theta energy: -155.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1652.917821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.917821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.917821 (E_RNA) where: Base-Base interactions energy: -1003.294 where: short stacking energy: -503.592 Base-Backbone interact. energy: 0.724 local terms energy: -650.347113 where: bonds (distance) C4'-P energy: -135.332 bonds (distance) P-C4' energy: -169.548 flat angles C4'-P-C4' energy: -163.084 flat angles P-C4'-P energy: -81.736 tors. eta vs tors. theta energy: -100.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1274.378778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.378778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.378778 (E_RNA) where: Base-Base interactions energy: -690.664 where: short stacking energy: -346.595 Base-Backbone interact. energy: 1.505 local terms energy: -585.220474 where: bonds (distance) C4'-P energy: -136.001 bonds (distance) P-C4' energy: -142.809 flat angles C4'-P-C4' energy: -142.285 flat angles P-C4'-P energy: -93.936 tors. eta vs tors. theta energy: -70.190 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: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1116.245136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.245136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.245136 (E_RNA) where: Base-Base interactions energy: -617.768 where: short stacking energy: -303.124 Base-Backbone interact. energy: 3.133 local terms energy: -501.609440 where: bonds (distance) C4'-P energy: -142.591 bonds (distance) P-C4' energy: -160.412 flat angles C4'-P-C4' energy: -112.554 flat angles P-C4'-P energy: -59.168 tors. eta vs tors. theta energy: -26.884 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: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -906.769338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.769338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.769338 (E_RNA) where: Base-Base interactions energy: -492.603 where: short stacking energy: -269.891 Base-Backbone interact. energy: 10.437 local terms energy: -424.603209 where: bonds (distance) C4'-P energy: -112.384 bonds (distance) P-C4' energy: -135.913 flat angles C4'-P-C4' energy: -135.437 flat angles P-C4'-P energy: -58.833 tors. eta vs tors. theta energy: 17.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -624.698514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.698514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.698514 (E_RNA) where: Base-Base interactions energy: -227.655 where: short stacking energy: -181.936 Base-Backbone interact. energy: 12.268 local terms energy: -409.311424 where: bonds (distance) C4'-P energy: -121.958 bonds (distance) P-C4' energy: -153.938 flat angles C4'-P-C4' energy: -102.618 flat angles P-C4'-P energy: -71.424 tors. eta vs tors. theta energy: 40.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2771.834529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.834529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.834529 (E_RNA) where: Base-Base interactions energy: -1930.603 where: short stacking energy: -789.403 Base-Backbone interact. energy: -3.048 local terms energy: -838.184240 where: bonds (distance) C4'-P energy: -160.787 bonds (distance) P-C4' energy: -156.237 flat angles C4'-P-C4' energy: -175.174 flat angles P-C4'-P energy: -117.151 tors. eta vs tors. theta energy: -228.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2628.943262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.943262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.943262 (E_RNA) where: Base-Base interactions energy: -1790.453 where: short stacking energy: -786.485 Base-Backbone interact. energy: -4.564 local terms energy: -833.926612 where: bonds (distance) C4'-P energy: -159.185 bonds (distance) P-C4' energy: -156.360 flat angles C4'-P-C4' energy: -187.365 flat angles P-C4'-P energy: -123.392 tors. eta vs tors. theta energy: -207.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2493.562799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.562799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.562799 (E_RNA) where: Base-Base interactions energy: -1694.604 where: short stacking energy: -724.582 Base-Backbone interact. energy: -1.999 local terms energy: -796.959508 where: bonds (distance) C4'-P energy: -141.590 bonds (distance) P-C4' energy: -151.727 flat angles C4'-P-C4' energy: -181.779 flat angles P-C4'-P energy: -120.937 tors. eta vs tors. theta energy: -200.926 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: 4, replica: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2153.828296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.828296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.828296 (E_RNA) where: Base-Base interactions energy: -1381.357 where: short stacking energy: -616.131 Base-Backbone interact. energy: -2.687 local terms energy: -769.784417 where: bonds (distance) C4'-P energy: -140.975 bonds (distance) P-C4' energy: -156.950 flat angles C4'-P-C4' energy: -189.992 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -173.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2042.626485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.626485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.626485 (E_RNA) where: Base-Base interactions energy: -1339.143 where: short stacking energy: -615.926 Base-Backbone interact. energy: -1.851 local terms energy: -701.632851 where: bonds (distance) C4'-P energy: -125.160 bonds (distance) P-C4' energy: -149.070 flat angles C4'-P-C4' energy: -159.792 flat angles P-C4'-P energy: -94.988 tors. eta vs tors. theta energy: -172.624 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: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1652.833802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.833802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.833802 (E_RNA) where: Base-Base interactions energy: -1029.807 where: short stacking energy: -483.860 Base-Backbone interact. energy: -1.079 local terms energy: -621.947328 where: bonds (distance) C4'-P energy: -150.355 bonds (distance) P-C4' energy: -116.806 flat angles C4'-P-C4' energy: -150.281 flat angles P-C4'-P energy: -100.096 tors. eta vs tors. theta energy: -104.410 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: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1268.870120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.870120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.870120 (E_RNA) where: Base-Base interactions energy: -741.815 where: short stacking energy: -354.203 Base-Backbone interact. energy: 2.889 local terms energy: -529.944928 where: bonds (distance) C4'-P energy: -126.614 bonds (distance) P-C4' energy: -145.077 flat angles C4'-P-C4' energy: -101.832 flat angles P-C4'-P energy: -98.251 tors. eta vs tors. theta energy: -58.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1125.502535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.502535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.502535 (E_RNA) where: Base-Base interactions energy: -626.493 where: short stacking energy: -326.907 Base-Backbone interact. energy: -3.451 local terms energy: -495.558277 where: bonds (distance) C4'-P energy: -129.587 bonds (distance) P-C4' energy: -131.898 flat angles C4'-P-C4' energy: -103.876 flat angles P-C4'-P energy: -77.707 tors. eta vs tors. theta energy: -52.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -931.771262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.771262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.771262 (E_RNA) where: Base-Base interactions energy: -469.660 where: short stacking energy: -268.792 Base-Backbone interact. energy: -2.177 local terms energy: -459.934765 where: bonds (distance) C4'-P energy: -109.662 bonds (distance) P-C4' energy: -149.440 flat angles C4'-P-C4' energy: -122.339 flat angles P-C4'-P energy: -61.848 tors. eta vs tors. theta energy: -16.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -650.033240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.033240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.033240 (E_RNA) where: Base-Base interactions energy: -252.922 where: short stacking energy: -188.185 Base-Backbone interact. energy: 0.875 local terms energy: -397.986233 where: bonds (distance) C4'-P energy: -132.093 bonds (distance) P-C4' energy: -139.079 flat angles C4'-P-C4' energy: -114.869 flat angles P-C4'-P energy: -49.711 tors. eta vs tors. theta energy: 37.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2768.845200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.845200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.845200 (E_RNA) where: Base-Base interactions energy: -1894.572 where: short stacking energy: -763.451 Base-Backbone interact. energy: -5.522 local terms energy: -868.751529 where: bonds (distance) C4'-P energy: -172.562 bonds (distance) P-C4' energy: -164.984 flat angles C4'-P-C4' energy: -183.888 flat angles P-C4'-P energy: -125.183 tors. eta vs tors. theta energy: -222.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2585.210336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.210336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.210336 (E_RNA) where: Base-Base interactions energy: -1723.360 where: short stacking energy: -733.952 Base-Backbone interact. energy: -5.327 local terms energy: -856.522934 where: bonds (distance) C4'-P energy: -166.694 bonds (distance) P-C4' energy: -170.410 flat angles C4'-P-C4' energy: -183.219 flat angles P-C4'-P energy: -112.758 tors. eta vs tors. theta energy: -223.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2547.080059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.080059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.080059 (E_RNA) where: Base-Base interactions energy: -1712.569 where: short stacking energy: -754.895 Base-Backbone interact. energy: -4.463 local terms energy: -830.048427 where: bonds (distance) C4'-P energy: -153.575 bonds (distance) P-C4' energy: -158.462 flat angles C4'-P-C4' energy: -191.297 flat angles P-C4'-P energy: -116.200 tors. eta vs tors. theta energy: -210.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2197.812513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.812513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.812513 (E_RNA) where: Base-Base interactions energy: -1484.578 where: short stacking energy: -605.045 Base-Backbone interact. energy: -4.515 local terms energy: -708.719525 where: bonds (distance) C4'-P energy: -148.823 bonds (distance) P-C4' energy: -132.929 flat angles C4'-P-C4' energy: -150.370 flat angles P-C4'-P energy: -112.388 tors. eta vs tors. theta energy: -164.210 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: 75 Temperature: 1.100000 Total energy: -2086.225884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.225884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.225884 (E_RNA) where: Base-Base interactions energy: -1346.770 where: short stacking energy: -584.945 Base-Backbone interact. energy: 1.521 local terms energy: -740.977585 where: bonds (distance) C4'-P energy: -150.525 bonds (distance) P-C4' energy: -152.843 flat angles C4'-P-C4' energy: -166.951 flat angles P-C4'-P energy: -114.175 tors. eta vs tors. theta energy: -156.483 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: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1710.860415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.860415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.860415 (E_RNA) where: Base-Base interactions energy: -1052.958 where: short stacking energy: -530.186 Base-Backbone interact. energy: 0.852 local terms energy: -658.754408 where: bonds (distance) C4'-P energy: -132.004 bonds (distance) P-C4' energy: -149.267 flat angles C4'-P-C4' energy: -147.982 flat angles P-C4'-P energy: -95.704 tors. eta vs tors. theta energy: -133.797 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: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1286.167226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.167226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.167226 (E_RNA) where: Base-Base interactions energy: -706.811 where: short stacking energy: -339.128 Base-Backbone interact. energy: -0.794 local terms energy: -578.561957 where: bonds (distance) C4'-P energy: -140.961 bonds (distance) P-C4' energy: -151.979 flat angles C4'-P-C4' energy: -128.545 flat angles P-C4'-P energy: -103.714 tors. eta vs tors. theta energy: -53.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1070.526177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.526177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.526177 (E_RNA) where: Base-Base interactions energy: -568.091 where: short stacking energy: -297.084 Base-Backbone interact. energy: 1.903 local terms energy: -504.337707 where: bonds (distance) C4'-P energy: -135.122 bonds (distance) P-C4' energy: -142.978 flat angles C4'-P-C4' energy: -122.134 flat angles P-C4'-P energy: -75.493 tors. eta vs tors. theta energy: -28.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -923.640715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.640715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.640715 (E_RNA) where: Base-Base interactions energy: -485.539 where: short stacking energy: -260.181 Base-Backbone interact. energy: 3.206 local terms energy: -441.307037 where: bonds (distance) C4'-P energy: -140.134 bonds (distance) P-C4' energy: -129.644 flat angles C4'-P-C4' energy: -112.971 flat angles P-C4'-P energy: -60.369 tors. eta vs tors. theta energy: 1.811 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: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -677.529018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.529018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.529018 (E_RNA) where: Base-Base interactions energy: -280.297 where: short stacking energy: -193.694 Base-Backbone interact. energy: 17.206 local terms energy: -414.438534 where: bonds (distance) C4'-P energy: -139.297 bonds (distance) P-C4' energy: -134.316 flat angles C4'-P-C4' energy: -109.763 flat angles P-C4'-P energy: -66.387 tors. eta vs tors. theta energy: 35.324 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: 1 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2763.589976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.589976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.589976 (E_RNA) where: Base-Base interactions energy: -1887.519 where: short stacking energy: -751.673 Base-Backbone interact. energy: -2.032 local terms energy: -874.039651 where: bonds (distance) C4'-P energy: -156.412 bonds (distance) P-C4' energy: -178.745 flat angles C4'-P-C4' energy: -189.098 flat angles P-C4'-P energy: -123.936 tors. eta vs tors. theta energy: -225.849 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: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2621.647910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.647910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.647910 (E_RNA) where: Base-Base interactions energy: -1802.252 where: short stacking energy: -773.168 Base-Backbone interact. energy: 3.637 local terms energy: -823.032311 where: bonds (distance) C4'-P energy: -150.238 bonds (distance) P-C4' energy: -153.216 flat angles C4'-P-C4' energy: -186.461 flat angles P-C4'-P energy: -120.996 tors. eta vs tors. theta energy: -212.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2535.791569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.791569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.791569 (E_RNA) where: Base-Base interactions energy: -1723.461 where: short stacking energy: -764.383 Base-Backbone interact. energy: -6.414 local terms energy: -805.917464 where: bonds (distance) C4'-P energy: -149.905 bonds (distance) P-C4' energy: -157.297 flat angles C4'-P-C4' energy: -172.134 flat angles P-C4'-P energy: -121.138 tors. eta vs tors. theta energy: -205.444 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: 76 Temperature: 1.050000 Total energy: -2241.875347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.875347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.875347 (E_RNA) where: Base-Base interactions energy: -1453.046 where: short stacking energy: -645.794 Base-Backbone interact. energy: -6.259 local terms energy: -782.570405 where: bonds (distance) C4'-P energy: -159.163 bonds (distance) P-C4' energy: -162.045 flat angles C4'-P-C4' energy: -172.016 flat angles P-C4'-P energy: -117.786 tors. eta vs tors. theta energy: -171.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2103.180666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.180666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.180666 (E_RNA) where: Base-Base interactions energy: -1384.935 where: short stacking energy: -612.077 Base-Backbone interact. energy: 0.288 local terms energy: -718.533700 where: bonds (distance) C4'-P energy: -163.385 bonds (distance) P-C4' energy: -157.164 flat angles C4'-P-C4' energy: -144.115 flat angles P-C4'-P energy: -97.335 tors. eta vs tors. theta energy: -156.534 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: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1680.934805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.934805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.934805 (E_RNA) where: Base-Base interactions energy: -1035.739 where: short stacking energy: -517.343 Base-Backbone interact. energy: 3.764 local terms energy: -648.960421 where: bonds (distance) C4'-P energy: -129.623 bonds (distance) P-C4' energy: -152.648 flat angles C4'-P-C4' energy: -142.605 flat angles P-C4'-P energy: -101.211 tors. eta vs tors. theta energy: -122.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1449.929661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.929661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.929661 (E_RNA) where: Base-Base interactions energy: -860.501 where: short stacking energy: -421.724 Base-Backbone interact. energy: -3.697 local terms energy: -585.731171 where: bonds (distance) C4'-P energy: -154.009 bonds (distance) P-C4' energy: -140.923 flat angles C4'-P-C4' energy: -125.792 flat angles P-C4'-P energy: -80.678 tors. eta vs tors. theta energy: -84.329 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: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1111.017745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.017745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.017745 (E_RNA) where: Base-Base interactions energy: -584.598 where: short stacking energy: -305.548 Base-Backbone interact. energy: 0.800 local terms energy: -527.219245 where: bonds (distance) C4'-P energy: -137.839 bonds (distance) P-C4' energy: -139.442 flat angles C4'-P-C4' energy: -137.962 flat angles P-C4'-P energy: -87.936 tors. eta vs tors. theta energy: -24.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -956.084348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.084348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.084348 (E_RNA) where: Base-Base interactions energy: -480.996 where: short stacking energy: -279.949 Base-Backbone interact. energy: 15.597 local terms energy: -490.684923 where: bonds (distance) C4'-P energy: -114.973 bonds (distance) P-C4' energy: -152.136 flat angles C4'-P-C4' energy: -136.398 flat angles P-C4'-P energy: -85.624 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -761.452092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.452092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.452092 (E_RNA) where: Base-Base interactions energy: -342.788 where: short stacking energy: -195.042 Base-Backbone interact. energy: 0.875 local terms energy: -419.539289 where: bonds (distance) C4'-P energy: -135.775 bonds (distance) P-C4' energy: -124.303 flat angles C4'-P-C4' energy: -114.102 flat angles P-C4'-P energy: -87.147 tors. eta vs tors. theta energy: 41.787 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: 1 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2799.050653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.050653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.050653 (E_RNA) where: Base-Base interactions energy: -1922.141 where: short stacking energy: -768.778 Base-Backbone interact. energy: -0.427 local terms energy: -876.481881 where: bonds (distance) C4'-P energy: -157.562 bonds (distance) P-C4' energy: -184.546 flat angles C4'-P-C4' energy: -187.964 flat angles P-C4'-P energy: -110.811 tors. eta vs tors. theta energy: -235.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2603.525885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.525885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.525885 (E_RNA) where: Base-Base interactions energy: -1798.926 where: short stacking energy: -744.542 Base-Backbone interact. energy: -0.803 local terms energy: -803.797034 where: bonds (distance) C4'-P energy: -155.059 bonds (distance) P-C4' energy: -160.518 flat angles C4'-P-C4' energy: -179.050 flat angles P-C4'-P energy: -108.024 tors. eta vs tors. theta energy: -201.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2499.508488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.508488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.508488 (E_RNA) where: Base-Base interactions energy: -1711.880 where: short stacking energy: -715.163 Base-Backbone interact. energy: -1.742 local terms energy: -785.885955 where: bonds (distance) C4'-P energy: -148.715 bonds (distance) P-C4' energy: -145.589 flat angles C4'-P-C4' energy: -183.922 flat angles P-C4'-P energy: -101.628 tors. eta vs tors. theta energy: -206.031 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: 77 Temperature: 1.050000 Total energy: -2177.325523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.325523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.325523 (E_RNA) where: Base-Base interactions energy: -1418.265 where: short stacking energy: -606.452 Base-Backbone interact. energy: -4.586 local terms energy: -754.474352 where: bonds (distance) C4'-P energy: -160.636 bonds (distance) P-C4' energy: -167.660 flat angles C4'-P-C4' energy: -155.532 flat angles P-C4'-P energy: -116.683 tors. eta vs tors. theta energy: -153.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2116.042801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.042801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.042801 (E_RNA) where: Base-Base interactions energy: -1399.391 where: short stacking energy: -603.510 Base-Backbone interact. energy: -3.322 local terms energy: -713.329731 where: bonds (distance) C4'-P energy: -135.440 bonds (distance) P-C4' energy: -160.108 flat angles C4'-P-C4' energy: -161.734 flat angles P-C4'-P energy: -107.903 tors. eta vs tors. theta energy: -148.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1555.326118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.326118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.326118 (E_RNA) where: Base-Base interactions energy: -919.320 where: short stacking energy: -455.888 Base-Backbone interact. energy: -1.668 local terms energy: -634.337652 where: bonds (distance) C4'-P energy: -155.517 bonds (distance) P-C4' energy: -127.491 flat angles C4'-P-C4' energy: -148.866 flat angles P-C4'-P energy: -103.135 tors. eta vs tors. theta energy: -99.329 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: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1533.577228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.577228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.577228 (E_RNA) where: Base-Base interactions energy: -906.868 where: short stacking energy: -387.254 Base-Backbone interact. energy: 0.685 local terms energy: -627.394216 where: bonds (distance) C4'-P energy: -131.241 bonds (distance) P-C4' energy: -157.104 flat angles C4'-P-C4' energy: -161.119 flat angles P-C4'-P energy: -70.251 tors. eta vs tors. theta energy: -107.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1252.355551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.355551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.355551 (E_RNA) where: Base-Base interactions energy: -744.604 where: short stacking energy: -324.874 Base-Backbone interact. energy: 5.476 local terms energy: -513.227664 where: bonds (distance) C4'-P energy: -141.517 bonds (distance) P-C4' energy: -138.821 flat angles C4'-P-C4' energy: -120.203 flat angles P-C4'-P energy: -89.155 tors. eta vs tors. theta energy: -23.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -967.643217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.643217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.643217 (E_RNA) where: Base-Base interactions energy: -489.324 where: short stacking energy: -268.157 Base-Backbone interact. energy: 3.154 local terms energy: -481.472903 where: bonds (distance) C4'-P energy: -126.605 bonds (distance) P-C4' energy: -158.823 flat angles C4'-P-C4' energy: -125.523 flat angles P-C4'-P energy: -52.963 tors. eta vs tors. theta energy: -17.559 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: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -733.133474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.133474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.133474 (E_RNA) where: Base-Base interactions energy: -307.350 where: short stacking energy: -188.327 Base-Backbone interact. energy: 1.456 local terms energy: -427.239824 where: bonds (distance) C4'-P energy: -132.972 bonds (distance) P-C4' energy: -129.493 flat angles C4'-P-C4' energy: -104.463 flat angles P-C4'-P energy: -70.844 tors. eta vs tors. theta energy: 10.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2810.017624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.017624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.017624 (E_RNA) where: Base-Base interactions energy: -1922.675 where: short stacking energy: -781.855 Base-Backbone interact. energy: -2.872 local terms energy: -884.470566 where: bonds (distance) C4'-P energy: -178.894 bonds (distance) P-C4' energy: -164.493 flat angles C4'-P-C4' energy: -189.348 flat angles P-C4'-P energy: -122.814 tors. eta vs tors. theta energy: -228.922 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: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2618.693304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.693304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.693304 (E_RNA) where: Base-Base interactions energy: -1779.502 where: short stacking energy: -757.494 Base-Backbone interact. energy: -7.157 local terms energy: -832.033899 where: bonds (distance) C4'-P energy: -153.309 bonds (distance) P-C4' energy: -175.897 flat angles C4'-P-C4' energy: -185.622 flat angles P-C4'-P energy: -106.997 tors. eta vs tors. theta energy: -210.209 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: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2503.210058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.210058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.210058 (E_RNA) where: Base-Base interactions energy: -1682.672 where: short stacking energy: -733.229 Base-Backbone interact. energy: -4.173 local terms energy: -816.365053 where: bonds (distance) C4'-P energy: -152.213 bonds (distance) P-C4' energy: -160.590 flat angles C4'-P-C4' energy: -167.603 flat angles P-C4'-P energy: -125.010 tors. eta vs tors. theta energy: -210.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2132.434727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.434727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.434727 (E_RNA) where: Base-Base interactions energy: -1351.987 where: short stacking energy: -602.221 Base-Backbone interact. energy: -2.934 local terms energy: -777.513175 where: bonds (distance) C4'-P energy: -157.790 bonds (distance) P-C4' energy: -165.366 flat angles C4'-P-C4' energy: -169.417 flat angles P-C4'-P energy: -122.154 tors. eta vs tors. theta energy: -162.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2075.432406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.432406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.432406 (E_RNA) where: Base-Base interactions energy: -1359.509 where: short stacking energy: -588.293 Base-Backbone interact. energy: -0.637 local terms energy: -715.286314 where: bonds (distance) C4'-P energy: -129.480 bonds (distance) P-C4' energy: -137.057 flat angles C4'-P-C4' energy: -172.318 flat angles P-C4'-P energy: -110.653 tors. eta vs tors. theta energy: -165.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1561.018795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.018795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.018795 (E_RNA) where: Base-Base interactions energy: -942.561 where: short stacking energy: -441.931 Base-Backbone interact. energy: 2.053 local terms energy: -620.510783 where: bonds (distance) C4'-P energy: -150.005 bonds (distance) P-C4' energy: -126.103 flat angles C4'-P-C4' energy: -153.664 flat angles P-C4'-P energy: -96.900 tors. eta vs tors. theta energy: -93.839 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: 7, replica: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1582.100987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.100987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.100987 (E_RNA) where: Base-Base interactions energy: -966.951 where: short stacking energy: -443.524 Base-Backbone interact. energy: 2.208 local terms energy: -617.357868 where: bonds (distance) C4'-P energy: -135.069 bonds (distance) P-C4' energy: -148.142 flat angles C4'-P-C4' energy: -161.419 flat angles P-C4'-P energy: -74.469 tors. eta vs tors. theta energy: -98.258 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: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1237.948580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.948580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.948580 (E_RNA) where: Base-Base interactions energy: -682.409 where: short stacking energy: -349.051 Base-Backbone interact. energy: -1.412 local terms energy: -554.127139 where: bonds (distance) C4'-P energy: -130.742 bonds (distance) P-C4' energy: -147.006 flat angles C4'-P-C4' energy: -139.796 flat angles P-C4'-P energy: -97.222 tors. eta vs tors. theta energy: -39.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -990.118848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.118848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.118848 (E_RNA) where: Base-Base interactions energy: -519.514 where: short stacking energy: -301.138 Base-Backbone interact. energy: 0.740 local terms energy: -471.344377 where: bonds (distance) C4'-P energy: -107.601 bonds (distance) P-C4' energy: -144.965 flat angles C4'-P-C4' energy: -124.596 flat angles P-C4'-P energy: -77.090 tors. eta vs tors. theta energy: -17.092 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: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -768.558843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.558843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.558843 (E_RNA) where: Base-Base interactions energy: -357.846 where: short stacking energy: -223.470 Base-Backbone interact. energy: 0.663 local terms energy: -411.376073 where: bonds (distance) C4'-P energy: -134.234 bonds (distance) P-C4' energy: -138.703 flat angles C4'-P-C4' energy: -101.017 flat angles P-C4'-P energy: -73.763 tors. eta vs tors. theta energy: 36.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2801.908167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.908167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.908167 (E_RNA) where: Base-Base interactions energy: -1923.207 where: short stacking energy: -800.512 Base-Backbone interact. energy: -4.923 local terms energy: -873.778984 where: bonds (distance) C4'-P energy: -168.898 bonds (distance) P-C4' energy: -162.873 flat angles C4'-P-C4' energy: -187.968 flat angles P-C4'-P energy: -121.127 tors. eta vs tors. theta energy: -232.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2599.861938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.861938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.861938 (E_RNA) where: Base-Base interactions energy: -1754.492 where: short stacking energy: -738.517 Base-Backbone interact. energy: -0.135 local terms energy: -845.235463 where: bonds (distance) C4'-P energy: -173.990 bonds (distance) P-C4' energy: -169.160 flat angles C4'-P-C4' energy: -190.364 flat angles P-C4'-P energy: -104.153 tors. eta vs tors. theta energy: -207.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2543.986869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.986869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.986869 (E_RNA) where: Base-Base interactions energy: -1675.483 where: short stacking energy: -755.632 Base-Backbone interact. energy: -1.979 local terms energy: -866.525246 where: bonds (distance) C4'-P energy: -176.419 bonds (distance) P-C4' energy: -161.644 flat angles C4'-P-C4' energy: -190.708 flat angles P-C4'-P energy: -125.463 tors. eta vs tors. theta energy: -212.292 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: 4, replica: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2194.782654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.782654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.782654 (E_RNA) where: Base-Base interactions energy: -1469.355 where: short stacking energy: -645.636 Base-Backbone interact. energy: -2.286 local terms energy: -723.141806 where: bonds (distance) C4'-P energy: -146.814 bonds (distance) P-C4' energy: -132.795 flat angles C4'-P-C4' energy: -181.061 flat angles P-C4'-P energy: -98.038 tors. eta vs tors. theta energy: -164.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2123.327360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.327360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.327360 (E_RNA) where: Base-Base interactions energy: -1390.459 where: short stacking energy: -611.358 Base-Backbone interact. energy: -2.940 local terms energy: -729.929015 where: bonds (distance) C4'-P energy: -157.131 bonds (distance) P-C4' energy: -153.829 flat angles C4'-P-C4' energy: -151.840 flat angles P-C4'-P energy: -107.797 tors. eta vs tors. theta energy: -159.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1662.273345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.273345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.273345 (E_RNA) where: Base-Base interactions energy: -1019.588 where: short stacking energy: -526.828 Base-Backbone interact. energy: -2.412 local terms energy: -640.273003 where: bonds (distance) C4'-P energy: -142.832 bonds (distance) P-C4' energy: -146.703 flat angles C4'-P-C4' energy: -150.302 flat angles P-C4'-P energy: -91.775 tors. eta vs tors. theta energy: -108.661 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: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1609.947812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.947812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.947812 (E_RNA) where: Base-Base interactions energy: -966.553 where: short stacking energy: -461.961 Base-Backbone interact. energy: -4.000 local terms energy: -639.395294 where: bonds (distance) C4'-P energy: -141.836 bonds (distance) P-C4' energy: -168.180 flat angles C4'-P-C4' energy: -139.220 flat angles P-C4'-P energy: -91.403 tors. eta vs tors. theta energy: -98.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1302.667615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.667615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.667615 (E_RNA) where: Base-Base interactions energy: -758.255 where: short stacking energy: -354.852 Base-Backbone interact. energy: 2.682 local terms energy: -547.094256 where: bonds (distance) C4'-P energy: -123.777 bonds (distance) P-C4' energy: -153.735 flat angles C4'-P-C4' energy: -125.368 flat angles P-C4'-P energy: -93.903 tors. eta vs tors. theta energy: -50.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1033.626257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.626257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.626257 (E_RNA) where: Base-Base interactions energy: -532.961 where: short stacking energy: -287.916 Base-Backbone interact. energy: -3.903 local terms energy: -496.761618 where: bonds (distance) C4'-P energy: -129.820 bonds (distance) P-C4' energy: -141.707 flat angles C4'-P-C4' energy: -133.014 flat angles P-C4'-P energy: -76.892 tors. eta vs tors. theta energy: -15.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -789.810106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.810106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.810106 (E_RNA) where: Base-Base interactions energy: -343.970 where: short stacking energy: -229.882 Base-Backbone interact. energy: 1.922 local terms energy: -447.762764 where: bonds (distance) C4'-P energy: -116.486 bonds (distance) P-C4' energy: -128.528 flat angles C4'-P-C4' energy: -130.915 flat angles P-C4'-P energy: -73.926 tors. eta vs tors. theta energy: 2.091 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: 1, replica: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2828.019457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.019457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.019457 (E_RNA) where: Base-Base interactions energy: -1964.139 where: short stacking energy: -809.192 Base-Backbone interact. energy: -1.774 local terms energy: -862.106121 where: bonds (distance) C4'-P energy: -157.856 bonds (distance) P-C4' energy: -174.105 flat angles C4'-P-C4' energy: -179.134 flat angles P-C4'-P energy: -118.255 tors. eta vs tors. theta energy: -232.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2606.041447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.041447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.041447 (E_RNA) where: Base-Base interactions energy: -1766.586 where: short stacking energy: -764.734 Base-Backbone interact. energy: -6.372 local terms energy: -833.083515 where: bonds (distance) C4'-P energy: -151.064 bonds (distance) P-C4' energy: -154.801 flat angles C4'-P-C4' energy: -175.386 flat angles P-C4'-P energy: -125.080 tors. eta vs tors. theta energy: -226.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2512.303542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.303542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.303542 (E_RNA) where: Base-Base interactions energy: -1658.496 where: short stacking energy: -734.076 Base-Backbone interact. energy: -0.508 local terms energy: -853.299607 where: bonds (distance) C4'-P energy: -150.823 bonds (distance) P-C4' energy: -169.536 flat angles C4'-P-C4' energy: -181.539 flat angles P-C4'-P energy: -140.839 tors. eta vs tors. theta energy: -210.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2187.795500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.795500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.795500 (E_RNA) where: Base-Base interactions energy: -1442.192 where: short stacking energy: -626.735 Base-Backbone interact. energy: -1.492 local terms energy: -744.111150 where: bonds (distance) C4'-P energy: -140.780 bonds (distance) P-C4' energy: -165.915 flat angles C4'-P-C4' energy: -160.358 flat angles P-C4'-P energy: -104.604 tors. eta vs tors. theta energy: -172.454 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: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2061.307266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.307266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.307266 (E_RNA) where: Base-Base interactions energy: -1334.101 where: short stacking energy: -582.902 Base-Backbone interact. energy: -3.416 local terms energy: -723.789824 where: bonds (distance) C4'-P energy: -149.245 bonds (distance) P-C4' energy: -153.354 flat angles C4'-P-C4' energy: -157.936 flat angles P-C4'-P energy: -104.845 tors. eta vs tors. theta energy: -158.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1562.621902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.621902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.621902 (E_RNA) where: Base-Base interactions energy: -949.804 where: short stacking energy: -476.419 Base-Backbone interact. energy: -0.535 local terms energy: -612.283436 where: bonds (distance) C4'-P energy: -132.470 bonds (distance) P-C4' energy: -143.952 flat angles C4'-P-C4' energy: -150.676 flat angles P-C4'-P energy: -78.847 tors. eta vs tors. theta energy: -106.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1595.137184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.137184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.137184 (E_RNA) where: Base-Base interactions energy: -980.747 where: short stacking energy: -463.483 Base-Backbone interact. energy: -3.872 local terms energy: -610.518052 where: bonds (distance) C4'-P energy: -129.317 bonds (distance) P-C4' energy: -140.868 flat angles C4'-P-C4' energy: -132.786 flat angles P-C4'-P energy: -109.080 tors. eta vs tors. theta energy: -98.468 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: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1327.085090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.085090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.085090 (E_RNA) where: Base-Base interactions energy: -799.697 where: short stacking energy: -381.103 Base-Backbone interact. energy: 2.287 local terms energy: -529.675655 where: bonds (distance) C4'-P energy: -142.863 bonds (distance) P-C4' energy: -137.883 flat angles C4'-P-C4' energy: -118.934 flat angles P-C4'-P energy: -72.415 tors. eta vs tors. theta energy: -57.581 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: 9, replica: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -968.099395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.099395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.099395 (E_RNA) where: Base-Base interactions energy: -499.337 where: short stacking energy: -258.656 Base-Backbone interact. energy: 1.732 local terms energy: -470.494480 where: bonds (distance) C4'-P energy: -138.457 bonds (distance) P-C4' energy: -115.452 flat angles C4'-P-C4' energy: -130.119 flat angles P-C4'-P energy: -86.603 tors. eta vs tors. theta energy: 0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -761.417319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.417319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.417319 (E_RNA) where: Base-Base interactions energy: -338.334 where: short stacking energy: -209.437 Base-Backbone interact. energy: -0.201 local terms energy: -422.883011 where: bonds (distance) C4'-P energy: -108.079 bonds (distance) P-C4' energy: -127.968 flat angles C4'-P-C4' energy: -124.171 flat angles P-C4'-P energy: -68.850 tors. eta vs tors. theta energy: 6.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2793.422989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.422989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.422989 (E_RNA) where: Base-Base interactions energy: -1906.739 where: short stacking energy: -840.234 Base-Backbone interact. energy: 0.360 local terms energy: -887.044661 where: bonds (distance) C4'-P energy: -151.117 bonds (distance) P-C4' energy: -170.903 flat angles C4'-P-C4' energy: -190.785 flat angles P-C4'-P energy: -130.948 tors. eta vs tors. theta energy: -243.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2579.791066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.791066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.791066 (E_RNA) where: Base-Base interactions energy: -1745.319 where: short stacking energy: -732.753 Base-Backbone interact. energy: -7.378 local terms energy: -827.094011 where: bonds (distance) C4'-P energy: -172.758 bonds (distance) P-C4' energy: -156.845 flat angles C4'-P-C4' energy: -172.640 flat angles P-C4'-P energy: -104.152 tors. eta vs tors. theta energy: -220.699 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: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2586.209129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.209129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.209129 (E_RNA) where: Base-Base interactions energy: -1736.395 where: short stacking energy: -765.702 Base-Backbone interact. energy: -3.106 local terms energy: -846.708252 where: bonds (distance) C4'-P energy: -165.504 bonds (distance) P-C4' energy: -163.152 flat angles C4'-P-C4' energy: -179.962 flat angles P-C4'-P energy: -114.342 tors. eta vs tors. theta energy: -223.748 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: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2307.354158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.354158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.354158 (E_RNA) where: Base-Base interactions energy: -1539.306 where: short stacking energy: -675.326 Base-Backbone interact. energy: -0.417 local terms energy: -767.631187 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -170.075 flat angles C4'-P-C4' energy: -173.017 flat angles P-C4'-P energy: -107.669 tors. eta vs tors. theta energy: -172.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2029.711989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.711989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.711989 (E_RNA) where: Base-Base interactions energy: -1311.964 where: short stacking energy: -582.763 Base-Backbone interact. energy: -2.496 local terms energy: -715.252719 where: bonds (distance) C4'-P energy: -137.078 bonds (distance) P-C4' energy: -156.477 flat angles C4'-P-C4' energy: -170.639 flat angles P-C4'-P energy: -111.428 tors. eta vs tors. theta energy: -139.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1615.179141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.179141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.179141 (E_RNA) where: Base-Base interactions energy: -978.843 where: short stacking energy: -465.034 Base-Backbone interact. energy: 0.768 local terms energy: -637.104704 where: bonds (distance) C4'-P energy: -156.088 bonds (distance) P-C4' energy: -134.972 flat angles C4'-P-C4' energy: -155.403 flat angles P-C4'-P energy: -94.387 tors. eta vs tors. theta energy: -96.255 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: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1517.764179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.764179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.764179 (E_RNA) where: Base-Base interactions energy: -934.421 where: short stacking energy: -382.714 Base-Backbone interact. energy: 1.735 local terms energy: -585.078059 where: bonds (distance) C4'-P energy: -131.020 bonds (distance) P-C4' energy: -142.720 flat angles C4'-P-C4' energy: -128.822 flat angles P-C4'-P energy: -98.450 tors. eta vs tors. theta energy: -84.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1340.236704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.236704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.236704 (E_RNA) where: Base-Base interactions energy: -751.235 where: short stacking energy: -353.949 Base-Backbone interact. energy: 3.068 local terms energy: -592.069357 where: bonds (distance) C4'-P energy: -132.552 bonds (distance) P-C4' energy: -147.256 flat angles C4'-P-C4' energy: -171.960 flat angles P-C4'-P energy: -92.331 tors. eta vs tors. theta energy: -47.970 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: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -949.474408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.474408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.474408 (E_RNA) where: Base-Base interactions energy: -445.812 where: short stacking energy: -259.440 Base-Backbone interact. energy: 2.278 local terms energy: -505.940763 where: bonds (distance) C4'-P energy: -129.899 bonds (distance) P-C4' energy: -148.243 flat angles C4'-P-C4' energy: -105.027 flat angles P-C4'-P energy: -90.216 tors. eta vs tors. theta energy: -32.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -815.187187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.187187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.187187 (E_RNA) where: Base-Base interactions energy: -354.694 where: short stacking energy: -200.373 Base-Backbone interact. energy: -2.785 local terms energy: -457.708815 where: bonds (distance) C4'-P energy: -128.190 bonds (distance) P-C4' energy: -158.473 flat angles C4'-P-C4' energy: -119.574 flat angles P-C4'-P energy: -74.525 tors. eta vs tors. theta energy: 23.053 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: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2752.027948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.027948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.027948 (E_RNA) where: Base-Base interactions energy: -1881.260 where: short stacking energy: -780.412 Base-Backbone interact. energy: -0.758 local terms energy: -870.010001 where: bonds (distance) C4'-P energy: -154.067 bonds (distance) P-C4' energy: -172.504 flat angles C4'-P-C4' energy: -180.951 flat angles P-C4'-P energy: -130.527 tors. eta vs tors. theta energy: -231.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2590.623587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.623587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.623587 (E_RNA) where: Base-Base interactions energy: -1751.349 where: short stacking energy: -717.214 Base-Backbone interact. energy: -1.789 local terms energy: -837.484807 where: bonds (distance) C4'-P energy: -151.945 bonds (distance) P-C4' energy: -172.045 flat angles C4'-P-C4' energy: -175.065 flat angles P-C4'-P energy: -125.458 tors. eta vs tors. theta energy: -212.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2597.977586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.977586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.977586 (E_RNA) where: Base-Base interactions energy: -1752.057 where: short stacking energy: -771.768 Base-Backbone interact. energy: 2.844 local terms energy: -848.764506 where: bonds (distance) C4'-P energy: -164.417 bonds (distance) P-C4' energy: -173.771 flat angles C4'-P-C4' energy: -183.604 flat angles P-C4'-P energy: -110.585 tors. eta vs tors. theta energy: -216.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2253.277292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.277292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.277292 (E_RNA) where: Base-Base interactions energy: -1521.052 where: short stacking energy: -607.963 Base-Backbone interact. energy: -1.489 local terms energy: -730.736714 where: bonds (distance) C4'-P energy: -141.693 bonds (distance) P-C4' energy: -151.104 flat angles C4'-P-C4' energy: -161.169 flat angles P-C4'-P energy: -102.050 tors. eta vs tors. theta energy: -174.720 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: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2162.562869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.562869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.562869 (E_RNA) where: Base-Base interactions energy: -1415.789 where: short stacking energy: -621.357 Base-Backbone interact. energy: 1.519 local terms energy: -748.292326 where: bonds (distance) C4'-P energy: -165.443 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -169.154 flat angles P-C4'-P energy: -96.819 tors. eta vs tors. theta energy: -161.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1670.084842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.084842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.084842 (E_RNA) where: Base-Base interactions energy: -1035.598 where: short stacking energy: -504.360 Base-Backbone interact. energy: -2.761 local terms energy: -631.725796 where: bonds (distance) C4'-P energy: -149.098 bonds (distance) P-C4' energy: -150.865 flat angles C4'-P-C4' energy: -131.948 flat angles P-C4'-P energy: -96.224 tors. eta vs tors. theta energy: -103.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1482.191462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.191462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.191462 (E_RNA) where: Base-Base interactions energy: -882.871 where: short stacking energy: -445.873 Base-Backbone interact. energy: -3.840 local terms energy: -595.480173 where: bonds (distance) C4'-P energy: -138.782 bonds (distance) P-C4' energy: -126.768 flat angles C4'-P-C4' energy: -140.288 flat angles P-C4'-P energy: -102.164 tors. eta vs tors. theta energy: -87.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1312.576923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.576923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.576923 (E_RNA) where: Base-Base interactions energy: -780.170 where: short stacking energy: -368.223 Base-Backbone interact. energy: 0.304 local terms energy: -532.711538 where: bonds (distance) C4'-P energy: -137.763 bonds (distance) P-C4' energy: -150.375 flat angles C4'-P-C4' energy: -123.714 flat angles P-C4'-P energy: -70.547 tors. eta vs tors. theta energy: -50.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -932.229625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.229625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.229625 (E_RNA) where: Base-Base interactions energy: -460.733 where: short stacking energy: -234.950 Base-Backbone interact. energy: 2.865 local terms energy: -474.361349 where: bonds (distance) C4'-P energy: -136.050 bonds (distance) P-C4' energy: -157.925 flat angles C4'-P-C4' energy: -117.014 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -815.053193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.053193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.053193 (E_RNA) where: Base-Base interactions energy: -366.676 where: short stacking energy: -223.530 Base-Backbone interact. energy: 0.302 local terms energy: -448.679974 where: bonds (distance) C4'-P energy: -126.361 bonds (distance) P-C4' energy: -130.924 flat angles C4'-P-C4' energy: -128.349 flat angles P-C4'-P energy: -79.901 tors. eta vs tors. theta energy: 16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2777.801481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.801481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.801481 (E_RNA) where: Base-Base interactions energy: -1890.150 where: short stacking energy: -760.729 Base-Backbone interact. energy: -2.014 local terms energy: -885.637657 where: bonds (distance) C4'-P energy: -176.006 bonds (distance) P-C4' energy: -156.178 flat angles C4'-P-C4' energy: -187.770 flat angles P-C4'-P energy: -135.233 tors. eta vs tors. theta energy: -230.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2615.923396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.923396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.923396 (E_RNA) where: Base-Base interactions energy: -1812.462 where: short stacking energy: -742.793 Base-Backbone interact. energy: -3.746 local terms energy: -799.715049 where: bonds (distance) C4'-P energy: -142.175 bonds (distance) P-C4' energy: -165.285 flat angles C4'-P-C4' energy: -165.665 flat angles P-C4'-P energy: -119.060 tors. eta vs tors. theta energy: -207.529 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: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2555.515097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.515097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.515097 (E_RNA) where: Base-Base interactions energy: -1717.772 where: short stacking energy: -739.488 Base-Backbone interact. energy: -4.452 local terms energy: -833.290980 where: bonds (distance) C4'-P energy: -148.667 bonds (distance) P-C4' energy: -173.493 flat angles C4'-P-C4' energy: -181.070 flat angles P-C4'-P energy: -120.744 tors. eta vs tors. theta energy: -209.317 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: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2252.841632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.841632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.841632 (E_RNA) where: Base-Base interactions energy: -1500.284 where: short stacking energy: -660.252 Base-Backbone interact. energy: -4.697 local terms energy: -747.860768 where: bonds (distance) C4'-P energy: -149.406 bonds (distance) P-C4' energy: -166.078 flat angles C4'-P-C4' energy: -162.579 flat angles P-C4'-P energy: -107.916 tors. eta vs tors. theta energy: -161.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2202.874149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.874149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.874149 (E_RNA) where: Base-Base interactions energy: -1474.125 where: short stacking energy: -622.833 Base-Backbone interact. energy: -5.658 local terms energy: -723.091348 where: bonds (distance) C4'-P energy: -149.466 bonds (distance) P-C4' energy: -149.111 flat angles C4'-P-C4' energy: -157.466 flat angles P-C4'-P energy: -105.475 tors. eta vs tors. theta energy: -161.574 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: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1683.526482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.526482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.526482 (E_RNA) where: Base-Base interactions energy: -1044.822 where: short stacking energy: -530.988 Base-Backbone interact. energy: -2.942 local terms energy: -635.762459 where: bonds (distance) C4'-P energy: -124.500 bonds (distance) P-C4' energy: -147.251 flat angles C4'-P-C4' energy: -157.436 flat angles P-C4'-P energy: -82.274 tors. eta vs tors. theta energy: -124.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1501.699595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.699595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.699595 (E_RNA) where: Base-Base interactions energy: -898.264 where: short stacking energy: -444.385 Base-Backbone interact. energy: 0.229 local terms energy: -603.664455 where: bonds (distance) C4'-P energy: -144.971 bonds (distance) P-C4' energy: -165.916 flat angles C4'-P-C4' energy: -140.636 flat angles P-C4'-P energy: -74.998 tors. eta vs tors. theta energy: -77.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1345.311807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.311807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.311807 (E_RNA) where: Base-Base interactions energy: -801.902 where: short stacking energy: -384.423 Base-Backbone interact. energy: -0.176 local terms energy: -543.233602 where: bonds (distance) C4'-P energy: -137.594 bonds (distance) P-C4' energy: -141.838 flat angles C4'-P-C4' energy: -118.843 flat angles P-C4'-P energy: -90.603 tors. eta vs tors. theta energy: -54.355 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: 9, replica: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1005.789468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.789468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.789468 (E_RNA) where: Base-Base interactions energy: -545.604 where: short stacking energy: -295.094 Base-Backbone interact. energy: 0.810 local terms energy: -460.996385 where: bonds (distance) C4'-P energy: -127.339 bonds (distance) P-C4' energy: -125.543 flat angles C4'-P-C4' energy: -116.386 flat angles P-C4'-P energy: -67.037 tors. eta vs tors. theta energy: -24.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -830.577336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.577336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.577336 (E_RNA) where: Base-Base interactions energy: -351.400 where: short stacking energy: -233.858 Base-Backbone interact. energy: 4.318 local terms energy: -483.494589 where: bonds (distance) C4'-P energy: -150.432 bonds (distance) P-C4' energy: -138.528 flat angles C4'-P-C4' energy: -127.763 flat angles P-C4'-P energy: -61.960 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2786.858330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.858330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.858330 (E_RNA) where: Base-Base interactions energy: -1901.699 where: short stacking energy: -796.458 Base-Backbone interact. energy: -6.660 local terms energy: -878.499009 where: bonds (distance) C4'-P energy: -163.836 bonds (distance) P-C4' energy: -169.265 flat angles C4'-P-C4' energy: -192.161 flat angles P-C4'-P energy: -120.704 tors. eta vs tors. theta energy: -232.533 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: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2668.737003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.737003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.737003 (E_RNA) where: Base-Base interactions energy: -1841.386 where: short stacking energy: -752.844 Base-Backbone interact. energy: -6.750 local terms energy: -820.600079 where: bonds (distance) C4'-P energy: -150.816 bonds (distance) P-C4' energy: -164.322 flat angles C4'-P-C4' energy: -181.839 flat angles P-C4'-P energy: -110.343 tors. eta vs tors. theta energy: -213.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2648.135802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.135802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.135802 (E_RNA) where: Base-Base interactions energy: -1776.513 where: short stacking energy: -772.902 Base-Backbone interact. energy: -0.483 local terms energy: -871.140117 where: bonds (distance) C4'-P energy: -151.355 bonds (distance) P-C4' energy: -153.034 flat angles C4'-P-C4' energy: -197.573 flat angles P-C4'-P energy: -136.894 tors. eta vs tors. theta energy: -232.283 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: 84 Temperature: 1.050000 Total energy: -2250.253052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.253052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.253052 (E_RNA) where: Base-Base interactions energy: -1529.102 where: short stacking energy: -664.787 Base-Backbone interact. energy: -3.229 local terms energy: -717.921650 where: bonds (distance) C4'-P energy: -130.669 bonds (distance) P-C4' energy: -164.757 flat angles C4'-P-C4' energy: -163.681 flat angles P-C4'-P energy: -93.579 tors. eta vs tors. theta energy: -165.236 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: 84 Temperature: 1.100000 Total energy: -2199.352575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.352575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.352575 (E_RNA) where: Base-Base interactions energy: -1465.886 where: short stacking energy: -612.566 Base-Backbone interact. energy: -2.913 local terms energy: -730.553401 where: bonds (distance) C4'-P energy: -156.201 bonds (distance) P-C4' energy: -151.054 flat angles C4'-P-C4' energy: -162.432 flat angles P-C4'-P energy: -105.105 tors. eta vs tors. theta energy: -155.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1721.865277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.865277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.865277 (E_RNA) where: Base-Base interactions energy: -1078.906 where: short stacking energy: -500.094 Base-Backbone interact. energy: -2.984 local terms energy: -639.975218 where: bonds (distance) C4'-P energy: -146.308 bonds (distance) P-C4' energy: -156.893 flat angles C4'-P-C4' energy: -152.458 flat angles P-C4'-P energy: -83.345 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: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1520.879213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.879213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.879213 (E_RNA) where: Base-Base interactions energy: -911.803 where: short stacking energy: -446.703 Base-Backbone interact. energy: -2.144 local terms energy: -606.933058 where: bonds (distance) C4'-P energy: -151.004 bonds (distance) P-C4' energy: -139.550 flat angles C4'-P-C4' energy: -134.914 flat angles P-C4'-P energy: -81.549 tors. eta vs tors. theta energy: -99.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1278.557626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.557626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.557626 (E_RNA) where: Base-Base interactions energy: -768.330 where: short stacking energy: -395.358 Base-Backbone interact. energy: 4.510 local terms energy: -514.737831 where: bonds (distance) C4'-P energy: -127.233 bonds (distance) P-C4' energy: -115.974 flat angles C4'-P-C4' energy: -138.725 flat angles P-C4'-P energy: -83.352 tors. eta vs tors. theta energy: -49.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1003.157641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.157641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.157641 (E_RNA) where: Base-Base interactions energy: -491.589 where: short stacking energy: -249.673 Base-Backbone interact. energy: -1.655 local terms energy: -509.913529 where: bonds (distance) C4'-P energy: -133.885 bonds (distance) P-C4' energy: -142.982 flat angles C4'-P-C4' energy: -138.798 flat angles P-C4'-P energy: -78.809 tors. eta vs tors. theta energy: -15.439 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: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -801.613385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.613385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.613385 (E_RNA) where: Base-Base interactions energy: -387.009 where: short stacking energy: -211.589 Base-Backbone interact. energy: 6.319 local terms energy: -420.923808 where: bonds (distance) C4'-P energy: -147.684 bonds (distance) P-C4' energy: -125.099 flat angles C4'-P-C4' energy: -113.359 flat angles P-C4'-P energy: -59.533 tors. eta vs tors. theta energy: 24.752 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: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2796.424056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.424056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.424056 (E_RNA) where: Base-Base interactions energy: -1905.745 where: short stacking energy: -790.891 Base-Backbone interact. energy: -3.856 local terms energy: -886.823043 where: bonds (distance) C4'-P energy: -177.074 bonds (distance) P-C4' energy: -183.168 flat angles C4'-P-C4' energy: -181.753 flat angles P-C4'-P energy: -116.411 tors. eta vs tors. theta energy: -228.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2654.384581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.384581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.384581 (E_RNA) where: Base-Base interactions energy: -1795.523 where: short stacking energy: -753.572 Base-Backbone interact. energy: -3.072 local terms energy: -855.789572 where: bonds (distance) C4'-P energy: -166.616 bonds (distance) P-C4' energy: -149.230 flat angles C4'-P-C4' energy: -186.171 flat angles P-C4'-P energy: -121.067 tors. eta vs tors. theta energy: -232.705 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: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2578.379109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.379109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.379109 (E_RNA) where: Base-Base interactions energy: -1749.127 where: short stacking energy: -753.231 Base-Backbone interact. energy: -2.101 local terms energy: -827.151304 where: bonds (distance) C4'-P energy: -144.002 bonds (distance) P-C4' energy: -170.052 flat angles C4'-P-C4' energy: -184.510 flat angles P-C4'-P energy: -118.740 tors. eta vs tors. theta energy: -209.847 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: 4, replica: 4 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2265.924239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.924239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.924239 (E_RNA) where: Base-Base interactions energy: -1521.810 where: short stacking energy: -627.914 Base-Backbone interact. energy: -4.901 local terms energy: -739.212804 where: bonds (distance) C4'-P energy: -154.524 bonds (distance) P-C4' energy: -168.547 flat angles C4'-P-C4' energy: -170.764 flat angles P-C4'-P energy: -78.426 tors. eta vs tors. theta energy: -166.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2074.126164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.126164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.126164 (E_RNA) where: Base-Base interactions energy: -1362.738 where: short stacking energy: -592.271 Base-Backbone interact. energy: -3.677 local terms energy: -707.711813 where: bonds (distance) C4'-P energy: -147.243 bonds (distance) P-C4' energy: -148.653 flat angles C4'-P-C4' energy: -158.865 flat angles P-C4'-P energy: -100.451 tors. eta vs tors. theta energy: -152.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1735.779614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.779614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.779614 (E_RNA) where: Base-Base interactions energy: -1071.004 where: short stacking energy: -515.429 Base-Backbone interact. energy: -1.630 local terms energy: -663.145724 where: bonds (distance) C4'-P energy: -142.482 bonds (distance) P-C4' energy: -127.310 flat angles C4'-P-C4' energy: -160.406 flat angles P-C4'-P energy: -106.630 tors. eta vs tors. theta energy: -126.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1444.910169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.910169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.910169 (E_RNA) where: Base-Base interactions energy: -847.029 where: short stacking energy: -421.902 Base-Backbone interact. energy: -4.345 local terms energy: -593.536147 where: bonds (distance) C4'-P energy: -146.521 bonds (distance) P-C4' energy: -148.595 flat angles C4'-P-C4' energy: -142.145 flat angles P-C4'-P energy: -84.025 tors. eta vs tors. theta energy: -72.251 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: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1270.136083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.136083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.136083 (E_RNA) where: Base-Base interactions energy: -747.651 where: short stacking energy: -355.506 Base-Backbone interact. energy: -2.437 local terms energy: -520.047808 where: bonds (distance) C4'-P energy: -145.890 bonds (distance) P-C4' energy: -140.089 flat angles C4'-P-C4' energy: -120.314 flat angles P-C4'-P energy: -62.464 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: 9, replica: 2 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1022.950281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.950281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.950281 (E_RNA) where: Base-Base interactions energy: -554.749 where: short stacking energy: -284.874 Base-Backbone interact. energy: 1.298 local terms energy: -469.500095 where: bonds (distance) C4'-P energy: -125.892 bonds (distance) P-C4' energy: -141.435 flat angles C4'-P-C4' energy: -133.360 flat angles P-C4'-P energy: -71.062 tors. eta vs tors. theta energy: 2.249 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: 85 Temperature: 1.350000 Total energy: -819.086547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.086547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.086547 (E_RNA) where: Base-Base interactions energy: -407.741 where: short stacking energy: -205.722 Base-Backbone interact. energy: -4.876 local terms energy: -406.469707 where: bonds (distance) C4'-P energy: -123.840 bonds (distance) P-C4' energy: -131.846 flat angles C4'-P-C4' energy: -88.529 flat angles P-C4'-P energy: -76.969 tors. eta vs tors. theta energy: 14.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2824.341345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.341345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.341345 (E_RNA) where: Base-Base interactions energy: -1955.548 where: short stacking energy: -796.417 Base-Backbone interact. energy: -3.666 local terms energy: -865.127031 where: bonds (distance) C4'-P energy: -174.827 bonds (distance) P-C4' energy: -157.297 flat angles C4'-P-C4' energy: -192.694 flat angles P-C4'-P energy: -118.392 tors. eta vs tors. theta energy: -221.917 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: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2604.175974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.175974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.175974 (E_RNA) where: Base-Base interactions energy: -1753.859 where: short stacking energy: -711.260 Base-Backbone interact. energy: -6.770 local terms energy: -843.547061 where: bonds (distance) C4'-P energy: -171.087 bonds (distance) P-C4' energy: -167.690 flat angles C4'-P-C4' energy: -177.584 flat angles P-C4'-P energy: -115.008 tors. eta vs tors. theta energy: -212.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2546.340284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.340284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.340284 (E_RNA) where: Base-Base interactions energy: -1726.864 where: short stacking energy: -716.578 Base-Backbone interact. energy: -4.489 local terms energy: -814.986738 where: bonds (distance) C4'-P energy: -140.266 bonds (distance) P-C4' energy: -153.989 flat angles C4'-P-C4' energy: -181.978 flat angles P-C4'-P energy: -130.467 tors. eta vs tors. theta energy: -208.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2259.819050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.819050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.819050 (E_RNA) where: Base-Base interactions energy: -1512.176 where: short stacking energy: -642.981 Base-Backbone interact. energy: -1.586 local terms energy: -746.056829 where: bonds (distance) C4'-P energy: -143.067 bonds (distance) P-C4' energy: -149.556 flat angles C4'-P-C4' energy: -162.351 flat angles P-C4'-P energy: -109.646 tors. eta vs tors. theta energy: -181.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2092.294408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.294408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.294408 (E_RNA) where: Base-Base interactions energy: -1365.294 where: short stacking energy: -597.495 Base-Backbone interact. energy: -4.996 local terms energy: -722.004679 where: bonds (distance) C4'-P energy: -134.812 bonds (distance) P-C4' energy: -156.772 flat angles C4'-P-C4' energy: -157.039 flat angles P-C4'-P energy: -99.106 tors. eta vs tors. theta energy: -174.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1714.369241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.369241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.369241 (E_RNA) where: Base-Base interactions energy: -1046.472 where: short stacking energy: -484.767 Base-Backbone interact. energy: -1.504 local terms energy: -666.392952 where: bonds (distance) C4'-P energy: -136.220 bonds (distance) P-C4' energy: -155.831 flat angles C4'-P-C4' energy: -142.223 flat angles P-C4'-P energy: -103.976 tors. eta vs tors. theta energy: -128.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1427.145719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.145719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.145719 (E_RNA) where: Base-Base interactions energy: -832.039 where: short stacking energy: -408.923 Base-Backbone interact. energy: 1.549 local terms energy: -596.654914 where: bonds (distance) C4'-P energy: -142.569 bonds (distance) P-C4' energy: -148.774 flat angles C4'-P-C4' energy: -138.200 flat angles P-C4'-P energy: -81.148 tors. eta vs tors. theta energy: -85.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1252.554504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.554504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.554504 (E_RNA) where: Base-Base interactions energy: -700.807 where: short stacking energy: -347.291 Base-Backbone interact. energy: 0.761 local terms energy: -552.508326 where: bonds (distance) C4'-P energy: -150.416 bonds (distance) P-C4' energy: -151.588 flat angles C4'-P-C4' energy: -133.205 flat angles P-C4'-P energy: -82.738 tors. eta vs tors. theta energy: -34.561 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: 9, replica: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1019.628613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.628613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.628613 (E_RNA) where: Base-Base interactions energy: -550.080 where: short stacking energy: -294.419 Base-Backbone interact. energy: 2.498 local terms energy: -472.045621 where: bonds (distance) C4'-P energy: -128.014 bonds (distance) P-C4' energy: -148.561 flat angles C4'-P-C4' energy: -115.624 flat angles P-C4'-P energy: -59.285 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: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -848.248652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.248652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.248652 (E_RNA) where: Base-Base interactions energy: -403.203 where: short stacking energy: -248.647 Base-Backbone interact. energy: 5.021 local terms energy: -450.066021 where: bonds (distance) C4'-P energy: -140.474 bonds (distance) P-C4' energy: -139.096 flat angles C4'-P-C4' energy: -122.519 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: 18.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2808.895665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.895665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.895665 (E_RNA) where: Base-Base interactions energy: -1924.898 where: short stacking energy: -825.682 Base-Backbone interact. energy: -5.139 local terms energy: -878.858268 where: bonds (distance) C4'-P energy: -157.902 bonds (distance) P-C4' energy: -177.897 flat angles C4'-P-C4' energy: -188.532 flat angles P-C4'-P energy: -120.810 tors. eta vs tors. theta energy: -233.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2636.702408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.702408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.702408 (E_RNA) where: Base-Base interactions energy: -1824.244 where: short stacking energy: -727.966 Base-Backbone interact. energy: -4.145 local terms energy: -808.312667 where: bonds (distance) C4'-P energy: -152.771 bonds (distance) P-C4' energy: -145.278 flat angles C4'-P-C4' energy: -175.506 flat angles P-C4'-P energy: -127.481 tors. eta vs tors. theta energy: -207.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2514.549615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.549615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.549615 (E_RNA) where: Base-Base interactions energy: -1703.488 where: short stacking energy: -731.749 Base-Backbone interact. energy: -0.077 local terms energy: -810.984402 where: bonds (distance) C4'-P energy: -159.368 bonds (distance) P-C4' energy: -154.362 flat angles C4'-P-C4' energy: -183.294 flat angles P-C4'-P energy: -109.891 tors. eta vs tors. theta energy: -204.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2333.041610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.041610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.041610 (E_RNA) where: Base-Base interactions energy: -1543.838 where: short stacking energy: -691.577 Base-Backbone interact. energy: 3.238 local terms energy: -792.441380 where: bonds (distance) C4'-P energy: -164.828 bonds (distance) P-C4' energy: -166.470 flat angles C4'-P-C4' energy: -182.426 flat angles P-C4'-P energy: -97.728 tors. eta vs tors. theta energy: -180.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2061.782293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.782293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.782293 (E_RNA) where: Base-Base interactions energy: -1354.644 where: short stacking energy: -578.351 Base-Backbone interact. energy: 2.644 local terms energy: -709.782142 where: bonds (distance) C4'-P energy: -144.731 bonds (distance) P-C4' energy: -149.466 flat angles C4'-P-C4' energy: -162.359 flat angles P-C4'-P energy: -107.793 tors. eta vs tors. theta energy: -145.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1813.200987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.200987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.200987 (E_RNA) where: Base-Base interactions energy: -1145.349 where: short stacking energy: -535.184 Base-Backbone interact. energy: -3.101 local terms energy: -664.750398 where: bonds (distance) C4'-P energy: -136.121 bonds (distance) P-C4' energy: -146.311 flat angles C4'-P-C4' energy: -164.017 flat angles P-C4'-P energy: -84.088 tors. eta vs tors. theta energy: -134.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1454.261470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.261470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.261470 (E_RNA) where: Base-Base interactions energy: -850.037 where: short stacking energy: -427.913 Base-Backbone interact. energy: 3.796 local terms energy: -608.020409 where: bonds (distance) C4'-P energy: -151.310 bonds (distance) P-C4' energy: -141.881 flat angles C4'-P-C4' energy: -130.453 flat angles P-C4'-P energy: -89.492 tors. eta vs tors. theta energy: -94.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1252.093060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.093060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.093060 (E_RNA) where: Base-Base interactions energy: -744.087 where: short stacking energy: -356.873 Base-Backbone interact. energy: 4.483 local terms energy: -512.488887 where: bonds (distance) C4'-P energy: -133.502 bonds (distance) P-C4' energy: -131.197 flat angles C4'-P-C4' energy: -133.242 flat angles P-C4'-P energy: -76.781 tors. eta vs tors. theta energy: -37.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1049.878175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.878175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.878175 (E_RNA) where: Base-Base interactions energy: -553.865 where: short stacking energy: -280.465 Base-Backbone interact. energy: -1.252 local terms energy: -494.760703 where: bonds (distance) C4'-P energy: -145.542 bonds (distance) P-C4' energy: -130.620 flat angles C4'-P-C4' energy: -116.291 flat angles P-C4'-P energy: -81.895 tors. eta vs tors. theta energy: -20.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -835.673847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.673847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.673847 (E_RNA) where: Base-Base interactions energy: -406.466 where: short stacking energy: -247.615 Base-Backbone interact. energy: -3.008 local terms energy: -426.200037 where: bonds (distance) C4'-P energy: -141.015 bonds (distance) P-C4' energy: -121.968 flat angles C4'-P-C4' energy: -104.596 flat angles P-C4'-P energy: -60.430 tors. eta vs tors. theta energy: 1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2807.018745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.018745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.018745 (E_RNA) where: Base-Base interactions energy: -1924.409 where: short stacking energy: -807.696 Base-Backbone interact. energy: -2.351 local terms energy: -880.257883 where: bonds (distance) C4'-P energy: -160.705 bonds (distance) P-C4' energy: -165.885 flat angles C4'-P-C4' energy: -201.144 flat angles P-C4'-P energy: -118.572 tors. eta vs tors. theta energy: -233.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2602.201936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.201936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.201936 (E_RNA) where: Base-Base interactions energy: -1783.446 where: short stacking energy: -718.975 Base-Backbone interact. energy: -4.231 local terms energy: -814.525226 where: bonds (distance) C4'-P energy: -155.646 bonds (distance) P-C4' energy: -140.399 flat angles C4'-P-C4' energy: -185.781 flat angles P-C4'-P energy: -121.701 tors. eta vs tors. theta energy: -210.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2571.056904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.056904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.056904 (E_RNA) where: Base-Base interactions energy: -1745.451 where: short stacking energy: -745.274 Base-Backbone interact. energy: 0.316 local terms energy: -825.922295 where: bonds (distance) C4'-P energy: -170.161 bonds (distance) P-C4' energy: -158.775 flat angles C4'-P-C4' energy: -187.647 flat angles P-C4'-P energy: -105.291 tors. eta vs tors. theta energy: -204.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2291.263644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.263644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.263644 (E_RNA) where: Base-Base interactions energy: -1521.051 where: short stacking energy: -647.147 Base-Backbone interact. energy: -3.465 local terms energy: -766.747794 where: bonds (distance) C4'-P energy: -147.780 bonds (distance) P-C4' energy: -169.136 flat angles C4'-P-C4' energy: -165.435 flat angles P-C4'-P energy: -102.790 tors. eta vs tors. theta energy: -181.607 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: 88 Temperature: 1.100000 Total energy: -2033.886732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.886732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.886732 (E_RNA) where: Base-Base interactions energy: -1337.141 where: short stacking energy: -588.810 Base-Backbone interact. energy: -2.043 local terms energy: -694.702607 where: bonds (distance) C4'-P energy: -141.071 bonds (distance) P-C4' energy: -149.105 flat angles C4'-P-C4' energy: -154.510 flat angles P-C4'-P energy: -109.351 tors. eta vs tors. theta energy: -140.666 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: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1835.176171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.176171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.176171 (E_RNA) where: Base-Base interactions energy: -1127.676 where: short stacking energy: -525.799 Base-Backbone interact. energy: -2.387 local terms energy: -705.113492 where: bonds (distance) C4'-P energy: -158.771 bonds (distance) P-C4' energy: -150.308 flat angles C4'-P-C4' energy: -168.733 flat angles P-C4'-P energy: -101.128 tors. eta vs tors. theta energy: -126.173 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: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1431.222288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.222288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.222288 (E_RNA) where: Base-Base interactions energy: -900.936 where: short stacking energy: -435.012 Base-Backbone interact. energy: -2.191 local terms energy: -528.094825 where: bonds (distance) C4'-P energy: -140.606 bonds (distance) P-C4' energy: -121.459 flat angles C4'-P-C4' energy: -114.113 flat angles P-C4'-P energy: -76.924 tors. eta vs tors. theta energy: -74.993 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: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1237.018045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.018045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.018045 (E_RNA) where: Base-Base interactions energy: -682.331 where: short stacking energy: -340.854 Base-Backbone interact. energy: -2.270 local terms energy: -552.417783 where: bonds (distance) C4'-P energy: -137.083 bonds (distance) P-C4' energy: -150.090 flat angles C4'-P-C4' energy: -131.209 flat angles P-C4'-P energy: -74.852 tors. eta vs tors. theta energy: -59.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1044.081309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.081309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.081309 (E_RNA) where: Base-Base interactions energy: -574.073 where: short stacking energy: -282.573 Base-Backbone interact. energy: -3.032 local terms energy: -466.976563 where: bonds (distance) C4'-P energy: -112.547 bonds (distance) P-C4' energy: -139.014 flat angles C4'-P-C4' energy: -130.921 flat angles P-C4'-P energy: -71.280 tors. eta vs tors. theta energy: -13.215 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: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -826.967925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.967925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.967925 (E_RNA) where: Base-Base interactions energy: -352.992 where: short stacking energy: -204.585 Base-Backbone interact. energy: 0.272 local terms energy: -474.247817 where: bonds (distance) C4'-P energy: -134.437 bonds (distance) P-C4' energy: -141.839 flat angles C4'-P-C4' energy: -135.942 flat angles P-C4'-P energy: -83.073 tors. eta vs tors. theta energy: 21.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2811.874363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.874363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.874363 (E_RNA) where: Base-Base interactions energy: -1901.568 where: short stacking energy: -776.708 Base-Backbone interact. energy: -5.133 local terms energy: -905.172871 where: bonds (distance) C4'-P energy: -176.889 bonds (distance) P-C4' energy: -168.494 flat angles C4'-P-C4' energy: -190.908 flat angles P-C4'-P energy: -133.287 tors. eta vs tors. theta energy: -235.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2598.742824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.742824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.742824 (E_RNA) where: Base-Base interactions energy: -1777.768 where: short stacking energy: -692.892 Base-Backbone interact. energy: 3.021 local terms energy: -823.995933 where: bonds (distance) C4'-P energy: -162.808 bonds (distance) P-C4' energy: -164.792 flat angles C4'-P-C4' energy: -178.836 flat angles P-C4'-P energy: -103.392 tors. eta vs tors. theta energy: -214.168 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: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2611.917115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.917115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.917115 (E_RNA) where: Base-Base interactions energy: -1746.969 where: short stacking energy: -760.350 Base-Backbone interact. energy: -0.563 local terms energy: -864.385846 where: bonds (distance) C4'-P energy: -159.214 bonds (distance) P-C4' energy: -167.602 flat angles C4'-P-C4' energy: -190.121 flat angles P-C4'-P energy: -122.384 tors. eta vs tors. theta energy: -225.065 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: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2264.400744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.400744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.400744 (E_RNA) where: Base-Base interactions energy: -1493.484 where: short stacking energy: -649.774 Base-Backbone interact. energy: -2.216 local terms energy: -768.700601 where: bonds (distance) C4'-P energy: -166.172 bonds (distance) P-C4' energy: -144.738 flat angles C4'-P-C4' energy: -168.617 flat angles P-C4'-P energy: -109.605 tors. eta vs tors. theta energy: -179.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2028.394612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.394612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.394612 (E_RNA) where: Base-Base interactions energy: -1329.835 where: short stacking energy: -612.313 Base-Backbone interact. energy: 0.247 local terms energy: -698.806899 where: bonds (distance) C4'-P energy: -147.969 bonds (distance) P-C4' energy: -137.533 flat angles C4'-P-C4' energy: -151.825 flat angles P-C4'-P energy: -102.115 tors. eta vs tors. theta energy: -159.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1814.360053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.360053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.360053 (E_RNA) where: Base-Base interactions energy: -1140.174 where: short stacking energy: -533.969 Base-Backbone interact. energy: 0.174 local terms energy: -674.360207 where: bonds (distance) C4'-P energy: -148.188 bonds (distance) P-C4' energy: -161.797 flat angles C4'-P-C4' energy: -136.638 flat angles P-C4'-P energy: -99.205 tors. eta vs tors. theta energy: -128.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1403.273776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.273776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.273776 (E_RNA) where: Base-Base interactions energy: -815.341 where: short stacking energy: -411.095 Base-Backbone interact. energy: -3.836 local terms energy: -584.095960 where: bonds (distance) C4'-P energy: -157.863 bonds (distance) P-C4' energy: -132.624 flat angles C4'-P-C4' energy: -125.308 flat angles P-C4'-P energy: -100.105 tors. eta vs tors. theta energy: -68.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1269.074585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.074585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.074585 (E_RNA) where: Base-Base interactions energy: -716.303 where: short stacking energy: -355.822 Base-Backbone interact. energy: 1.316 local terms energy: -554.087399 where: bonds (distance) C4'-P energy: -137.349 bonds (distance) P-C4' energy: -140.051 flat angles C4'-P-C4' energy: -151.583 flat angles P-C4'-P energy: -87.346 tors. eta vs tors. theta energy: -37.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1002.775959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.775959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.775959 (E_RNA) where: Base-Base interactions energy: -528.695 where: short stacking energy: -251.275 Base-Backbone interact. energy: -1.514 local terms energy: -472.566324 where: bonds (distance) C4'-P energy: -147.024 bonds (distance) P-C4' energy: -146.182 flat angles C4'-P-C4' energy: -112.477 flat angles P-C4'-P energy: -73.409 tors. eta vs tors. theta energy: 6.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -847.840239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.840239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.840239 (E_RNA) where: Base-Base interactions energy: -376.302 where: short stacking energy: -197.755 Base-Backbone interact. energy: 0.009 local terms energy: -471.547028 where: bonds (distance) C4'-P energy: -128.465 bonds (distance) P-C4' energy: -144.084 flat angles C4'-P-C4' energy: -133.063 flat angles P-C4'-P energy: -64.470 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2800.356123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.356123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.356123 (E_RNA) where: Base-Base interactions energy: -1934.038 where: short stacking energy: -814.903 Base-Backbone interact. energy: -4.791 local terms energy: -861.527738 where: bonds (distance) C4'-P energy: -149.670 bonds (distance) P-C4' energy: -164.831 flat angles C4'-P-C4' energy: -179.370 flat angles P-C4'-P energy: -127.922 tors. eta vs tors. theta energy: -239.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2617.449808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.449808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.449808 (E_RNA) where: Base-Base interactions energy: -1759.310 where: short stacking energy: -746.324 Base-Backbone interact. energy: -6.108 local terms energy: -852.031348 where: bonds (distance) C4'-P energy: -168.025 bonds (distance) P-C4' energy: -157.572 flat angles C4'-P-C4' energy: -187.096 flat angles P-C4'-P energy: -116.246 tors. eta vs tors. theta energy: -223.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2611.541309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.541309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.541309 (E_RNA) where: Base-Base interactions energy: -1775.258 where: short stacking energy: -740.970 Base-Backbone interact. energy: -4.185 local terms energy: -832.097451 where: bonds (distance) C4'-P energy: -160.615 bonds (distance) P-C4' energy: -154.984 flat angles C4'-P-C4' energy: -191.031 flat angles P-C4'-P energy: -117.166 tors. eta vs tors. theta energy: -208.301 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: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2223.044263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.044263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.044263 (E_RNA) where: Base-Base interactions energy: -1504.126 where: short stacking energy: -644.979 Base-Backbone interact. energy: -3.527 local terms energy: -715.390970 where: bonds (distance) C4'-P energy: -127.417 bonds (distance) P-C4' energy: -143.510 flat angles C4'-P-C4' energy: -170.769 flat angles P-C4'-P energy: -114.025 tors. eta vs tors. theta energy: -159.670 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: 90 Temperature: 1.100000 Total energy: -2109.784834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.784834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.784834 (E_RNA) where: Base-Base interactions energy: -1384.029 where: short stacking energy: -608.810 Base-Backbone interact. energy: -0.132 local terms energy: -725.624730 where: bonds (distance) C4'-P energy: -136.585 bonds (distance) P-C4' energy: -162.682 flat angles C4'-P-C4' energy: -154.782 flat angles P-C4'-P energy: -113.609 tors. eta vs tors. theta energy: -157.966 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: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1846.024185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.024185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.024185 (E_RNA) where: Base-Base interactions energy: -1159.308 where: short stacking energy: -554.725 Base-Backbone interact. energy: -3.653 local terms energy: -683.062996 where: bonds (distance) C4'-P energy: -159.277 bonds (distance) P-C4' energy: -147.389 flat angles C4'-P-C4' energy: -160.125 flat angles P-C4'-P energy: -90.064 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: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1449.496066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.496066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.496066 (E_RNA) where: Base-Base interactions energy: -882.896 where: short stacking energy: -417.600 Base-Backbone interact. energy: -2.847 local terms energy: -563.753459 where: bonds (distance) C4'-P energy: -144.395 bonds (distance) P-C4' energy: -125.809 flat angles C4'-P-C4' energy: -143.303 flat angles P-C4'-P energy: -70.559 tors. eta vs tors. theta energy: -79.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1217.973960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.973960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.973960 (E_RNA) where: Base-Base interactions energy: -713.034 where: short stacking energy: -359.161 Base-Backbone interact. energy: 0.934 local terms energy: -505.873424 where: bonds (distance) C4'-P energy: -120.558 bonds (distance) P-C4' energy: -150.764 flat angles C4'-P-C4' energy: -116.091 flat angles P-C4'-P energy: -86.914 tors. eta vs tors. theta energy: -31.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1013.639650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.639650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.639650 (E_RNA) where: Base-Base interactions energy: -541.413 where: short stacking energy: -278.478 Base-Backbone interact. energy: -2.641 local terms energy: -469.585209 where: bonds (distance) C4'-P energy: -128.085 bonds (distance) P-C4' energy: -132.200 flat angles C4'-P-C4' energy: -125.440 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: -21.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -819.932364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.932364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.932364 (E_RNA) where: Base-Base interactions energy: -358.890 where: short stacking energy: -226.207 Base-Backbone interact. energy: 7.325 local terms energy: -468.367457 where: bonds (distance) C4'-P energy: -132.058 bonds (distance) P-C4' energy: -155.580 flat angles C4'-P-C4' energy: -124.055 flat angles P-C4'-P energy: -71.991 tors. eta vs tors. theta energy: 15.317 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: 1, replica: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2800.244452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.244452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.244452 (E_RNA) where: Base-Base interactions energy: -1920.941 where: short stacking energy: -781.284 Base-Backbone interact. energy: 0.563 local terms energy: -879.866850 where: bonds (distance) C4'-P energy: -167.784 bonds (distance) P-C4' energy: -176.760 flat angles C4'-P-C4' energy: -187.621 flat angles P-C4'-P energy: -124.033 tors. eta vs tors. theta energy: -223.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2704.961754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.961754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.961754 (E_RNA) where: Base-Base interactions energy: -1877.434 where: short stacking energy: -815.372 Base-Backbone interact. energy: 3.240 local terms energy: -830.767480 where: bonds (distance) C4'-P energy: -143.554 bonds (distance) P-C4' energy: -158.527 flat angles C4'-P-C4' energy: -181.421 flat angles P-C4'-P energy: -114.330 tors. eta vs tors. theta energy: -232.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2520.680731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.680731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.680731 (E_RNA) where: Base-Base interactions energy: -1697.561 where: short stacking energy: -687.910 Base-Backbone interact. energy: -2.671 local terms energy: -820.448505 where: bonds (distance) C4'-P energy: -153.184 bonds (distance) P-C4' energy: -165.827 flat angles C4'-P-C4' energy: -176.147 flat angles P-C4'-P energy: -120.506 tors. eta vs tors. theta energy: -204.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2245.963090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.963090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.963090 (E_RNA) where: Base-Base interactions energy: -1505.185 where: short stacking energy: -638.365 Base-Backbone interact. energy: -2.191 local terms energy: -738.587556 where: bonds (distance) C4'-P energy: -135.981 bonds (distance) P-C4' energy: -157.713 flat angles C4'-P-C4' energy: -177.528 flat angles P-C4'-P energy: -116.164 tors. eta vs tors. theta energy: -151.202 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: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2105.764388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.764388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.764388 (E_RNA) where: Base-Base interactions energy: -1408.319 where: short stacking energy: -619.958 Base-Backbone interact. energy: -1.802 local terms energy: -695.643262 where: bonds (distance) C4'-P energy: -130.858 bonds (distance) P-C4' energy: -142.920 flat angles C4'-P-C4' energy: -154.470 flat angles P-C4'-P energy: -110.684 tors. eta vs tors. theta energy: -156.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1827.630470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.630470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.630470 (E_RNA) where: Base-Base interactions energy: -1170.712 where: short stacking energy: -530.414 Base-Backbone interact. energy: -2.119 local terms energy: -654.799638 where: bonds (distance) C4'-P energy: -144.712 bonds (distance) P-C4' energy: -144.285 flat angles C4'-P-C4' energy: -161.317 flat angles P-C4'-P energy: -94.347 tors. eta vs tors. theta energy: -110.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1493.087760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.087760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.087760 (E_RNA) where: Base-Base interactions energy: -902.166 where: short stacking energy: -438.375 Base-Backbone interact. energy: -2.316 local terms energy: -588.605474 where: bonds (distance) C4'-P energy: -138.350 bonds (distance) P-C4' energy: -141.228 flat angles C4'-P-C4' energy: -133.699 flat angles P-C4'-P energy: -86.410 tors. eta vs tors. theta energy: -88.919 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: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1235.275793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.275793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.275793 (E_RNA) where: Base-Base interactions energy: -711.171 where: short stacking energy: -322.516 Base-Backbone interact. energy: -3.492 local terms energy: -520.613335 where: bonds (distance) C4'-P energy: -129.244 bonds (distance) P-C4' energy: -153.237 flat angles C4'-P-C4' energy: -133.558 flat angles P-C4'-P energy: -59.947 tors. eta vs tors. theta energy: -44.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1064.925292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.925292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.925292 (E_RNA) where: Base-Base interactions energy: -560.328 where: short stacking energy: -284.426 Base-Backbone interact. energy: 1.966 local terms energy: -506.563211 where: bonds (distance) C4'-P energy: -129.907 bonds (distance) P-C4' energy: -156.481 flat angles C4'-P-C4' energy: -137.125 flat angles P-C4'-P energy: -57.999 tors. eta vs tors. theta energy: -25.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -808.967062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.967062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.967062 (E_RNA) where: Base-Base interactions energy: -381.327 where: short stacking energy: -222.867 Base-Backbone interact. energy: 5.597 local terms energy: -433.237544 where: bonds (distance) C4'-P energy: -131.572 bonds (distance) P-C4' energy: -139.126 flat angles C4'-P-C4' energy: -108.626 flat angles P-C4'-P energy: -64.420 tors. eta vs tors. theta energy: 10.507 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: 92 Temperature: 0.900000 Total energy: -2815.347865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.347865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.347865 (E_RNA) where: Base-Base interactions energy: -1926.006 where: short stacking energy: -804.604 Base-Backbone interact. energy: -6.263 local terms energy: -883.078985 where: bonds (distance) C4'-P energy: -172.097 bonds (distance) P-C4' energy: -156.413 flat angles C4'-P-C4' energy: -183.240 flat angles P-C4'-P energy: -125.617 tors. eta vs tors. theta energy: -245.711 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: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2670.432014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.432014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.432014 (E_RNA) where: Base-Base interactions energy: -1823.527 where: short stacking energy: -789.867 Base-Backbone interact. energy: -2.309 local terms energy: -844.595346 where: bonds (distance) C4'-P energy: -166.223 bonds (distance) P-C4' energy: -159.123 flat angles C4'-P-C4' energy: -176.841 flat angles P-C4'-P energy: -120.259 tors. eta vs tors. theta energy: -222.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2474.439299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.439299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.439299 (E_RNA) where: Base-Base interactions energy: -1690.830 where: short stacking energy: -667.246 Base-Backbone interact. energy: -0.711 local terms energy: -782.897949 where: bonds (distance) C4'-P energy: -145.410 bonds (distance) P-C4' energy: -172.330 flat angles C4'-P-C4' energy: -160.431 flat angles P-C4'-P energy: -115.249 tors. eta vs tors. theta energy: -189.478 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: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2300.190035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.190035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.190035 (E_RNA) where: Base-Base interactions energy: -1510.200 where: short stacking energy: -664.049 Base-Backbone interact. energy: -1.136 local terms energy: -788.854097 where: bonds (distance) C4'-P energy: -146.562 bonds (distance) P-C4' energy: -162.077 flat angles C4'-P-C4' energy: -181.893 flat angles P-C4'-P energy: -114.319 tors. eta vs tors. theta energy: -184.004 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: 92 Temperature: 1.100000 Total energy: -2079.803395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.803395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.803395 (E_RNA) where: Base-Base interactions energy: -1369.623 where: short stacking energy: -580.220 Base-Backbone interact. energy: -1.094 local terms energy: -709.086026 where: bonds (distance) C4'-P energy: -140.180 bonds (distance) P-C4' energy: -166.440 flat angles C4'-P-C4' energy: -176.188 flat angles P-C4'-P energy: -89.795 tors. eta vs tors. theta energy: -136.482 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: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1835.516444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.516444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.516444 (E_RNA) where: Base-Base interactions energy: -1155.954 where: short stacking energy: -524.252 Base-Backbone interact. energy: -4.805 local terms energy: -674.757710 where: bonds (distance) C4'-P energy: -145.160 bonds (distance) P-C4' energy: -147.847 flat angles C4'-P-C4' energy: -139.793 flat angles P-C4'-P energy: -108.920 tors. eta vs tors. theta energy: -133.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1403.069988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.069988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.069988 (E_RNA) where: Base-Base interactions energy: -810.875 where: short stacking energy: -407.001 Base-Backbone interact. energy: -2.740 local terms energy: -589.454973 where: bonds (distance) C4'-P energy: -151.540 bonds (distance) P-C4' energy: -152.890 flat angles C4'-P-C4' energy: -149.891 flat angles P-C4'-P energy: -72.992 tors. eta vs tors. theta energy: -62.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1267.500625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.500625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.500625 (E_RNA) where: Base-Base interactions energy: -708.492 where: short stacking energy: -325.170 Base-Backbone interact. energy: -0.262 local terms energy: -558.746302 where: bonds (distance) C4'-P energy: -154.771 bonds (distance) P-C4' energy: -130.728 flat angles C4'-P-C4' energy: -142.244 flat angles P-C4'-P energy: -84.692 tors. eta vs tors. theta energy: -46.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1030.987910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.987910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.987910 (E_RNA) where: Base-Base interactions energy: -525.851 where: short stacking energy: -301.746 Base-Backbone interact. energy: 0.829 local terms energy: -505.966052 where: bonds (distance) C4'-P energy: -140.678 bonds (distance) P-C4' energy: -139.376 flat angles C4'-P-C4' energy: -122.501 flat angles P-C4'-P energy: -65.544 tors. eta vs tors. theta energy: -37.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -832.996808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.996808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.996808 (E_RNA) where: Base-Base interactions energy: -405.059 where: short stacking energy: -222.459 Base-Backbone interact. energy: 6.307 local terms energy: -434.244755 where: bonds (distance) C4'-P energy: -130.308 bonds (distance) P-C4' energy: -127.541 flat angles C4'-P-C4' energy: -102.210 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: 14.302 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: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2851.493844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.493844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.493844 (E_RNA) where: Base-Base interactions energy: -1956.692 where: short stacking energy: -796.560 Base-Backbone interact. energy: -6.015 local terms energy: -888.787281 where: bonds (distance) C4'-P energy: -160.230 bonds (distance) P-C4' energy: -177.050 flat angles C4'-P-C4' energy: -186.258 flat angles P-C4'-P energy: -128.625 tors. eta vs tors. theta energy: -236.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2687.002697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.002697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.002697 (E_RNA) where: Base-Base interactions energy: -1824.272 where: short stacking energy: -769.176 Base-Backbone interact. energy: -4.258 local terms energy: -858.472505 where: bonds (distance) C4'-P energy: -162.772 bonds (distance) P-C4' energy: -162.093 flat angles C4'-P-C4' energy: -191.062 flat angles P-C4'-P energy: -116.736 tors. eta vs tors. theta energy: -225.809 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: 7 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2494.731228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.731228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.731228 (E_RNA) where: Base-Base interactions energy: -1723.039 where: short stacking energy: -686.598 Base-Backbone interact. energy: -6.235 local terms energy: -765.456850 where: bonds (distance) C4'-P energy: -138.276 bonds (distance) P-C4' energy: -171.663 flat angles C4'-P-C4' energy: -157.400 flat angles P-C4'-P energy: -108.624 tors. eta vs tors. theta energy: -189.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2283.921327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.921327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.921327 (E_RNA) where: Base-Base interactions energy: -1485.042 where: short stacking energy: -650.213 Base-Backbone interact. energy: -4.637 local terms energy: -794.242096 where: bonds (distance) C4'-P energy: -161.363 bonds (distance) P-C4' energy: -167.504 flat angles C4'-P-C4' energy: -181.886 flat angles P-C4'-P energy: -105.984 tors. eta vs tors. theta energy: -177.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2016.337609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.337609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.337609 (E_RNA) where: Base-Base interactions energy: -1304.365 where: short stacking energy: -526.933 Base-Backbone interact. energy: -1.941 local terms energy: -710.031850 where: bonds (distance) C4'-P energy: -159.019 bonds (distance) P-C4' energy: -165.366 flat angles C4'-P-C4' energy: -151.384 flat angles P-C4'-P energy: -103.838 tors. eta vs tors. theta energy: -130.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1864.970111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.970111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.970111 (E_RNA) where: Base-Base interactions energy: -1208.919 where: short stacking energy: -532.485 Base-Backbone interact. energy: 0.258 local terms energy: -656.308808 where: bonds (distance) C4'-P energy: -144.614 bonds (distance) P-C4' energy: -154.724 flat angles C4'-P-C4' energy: -139.283 flat angles P-C4'-P energy: -100.765 tors. eta vs tors. theta energy: -116.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1431.297257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.297257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.297257 (E_RNA) where: Base-Base interactions energy: -835.383 where: short stacking energy: -398.404 Base-Backbone interact. energy: 0.898 local terms energy: -596.812525 where: bonds (distance) C4'-P energy: -133.300 bonds (distance) P-C4' energy: -159.281 flat angles C4'-P-C4' energy: -146.314 flat angles P-C4'-P energy: -87.487 tors. eta vs tors. theta energy: -70.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1309.159281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.159281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.159281 (E_RNA) where: Base-Base interactions energy: -733.357 where: short stacking energy: -404.642 Base-Backbone interact. energy: 3.269 local terms energy: -579.071528 where: bonds (distance) C4'-P energy: -135.954 bonds (distance) P-C4' energy: -138.459 flat angles C4'-P-C4' energy: -154.965 flat angles P-C4'-P energy: -77.321 tors. eta vs tors. theta energy: -72.372 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: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -983.558895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.558895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.558895 (E_RNA) where: Base-Base interactions energy: -482.430 where: short stacking energy: -260.255 Base-Backbone interact. energy: -2.751 local terms energy: -498.377826 where: bonds (distance) C4'-P energy: -155.872 bonds (distance) P-C4' energy: -149.771 flat angles C4'-P-C4' energy: -118.177 flat angles P-C4'-P energy: -74.853 tors. eta vs tors. theta energy: 0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -910.675773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.675773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.675773 (E_RNA) where: Base-Base interactions energy: -461.756 where: short stacking energy: -283.799 Base-Backbone interact. energy: 8.438 local terms energy: -457.357303 where: bonds (distance) C4'-P energy: -127.649 bonds (distance) P-C4' energy: -132.973 flat angles C4'-P-C4' energy: -120.455 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -12.136 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: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2839.640406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.640406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.640406 (E_RNA) where: Base-Base interactions energy: -1958.333 where: short stacking energy: -798.329 Base-Backbone interact. energy: -0.754 local terms energy: -880.553094 where: bonds (distance) C4'-P energy: -175.493 bonds (distance) P-C4' energy: -157.421 flat angles C4'-P-C4' energy: -185.359 flat angles P-C4'-P energy: -127.907 tors. eta vs tors. theta energy: -234.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2683.577156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.577156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.577156 (E_RNA) where: Base-Base interactions energy: -1820.401 where: short stacking energy: -767.146 Base-Backbone interact. energy: -3.888 local terms energy: -859.287717 where: bonds (distance) C4'-P energy: -160.228 bonds (distance) P-C4' energy: -164.358 flat angles C4'-P-C4' energy: -172.418 flat angles P-C4'-P energy: -132.828 tors. eta vs tors. theta energy: -229.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2550.721021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.721021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.721021 (E_RNA) where: Base-Base interactions energy: -1748.315 where: short stacking energy: -726.998 Base-Backbone interact. energy: -0.697 local terms energy: -801.708321 where: bonds (distance) C4'-P energy: -166.548 bonds (distance) P-C4' energy: -151.435 flat angles C4'-P-C4' energy: -176.825 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -203.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2225.525161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.525161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.525161 (E_RNA) where: Base-Base interactions energy: -1504.866 where: short stacking energy: -635.797 Base-Backbone interact. energy: 0.631 local terms energy: -721.290657 where: bonds (distance) C4'-P energy: -143.129 bonds (distance) P-C4' energy: -142.582 flat angles C4'-P-C4' energy: -173.245 flat angles P-C4'-P energy: -103.938 tors. eta vs tors. theta energy: -158.397 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: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2076.833043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.833043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.833043 (E_RNA) where: Base-Base interactions energy: -1329.401 where: short stacking energy: -569.891 Base-Backbone interact. energy: -6.524 local terms energy: -740.908023 where: bonds (distance) C4'-P energy: -158.222 bonds (distance) P-C4' energy: -153.626 flat angles C4'-P-C4' energy: -173.316 flat angles P-C4'-P energy: -94.164 tors. eta vs tors. theta energy: -161.580 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: 8 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1909.310026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.310026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.310026 (E_RNA) where: Base-Base interactions energy: -1243.351 where: short stacking energy: -556.636 Base-Backbone interact. energy: 1.278 local terms energy: -667.237184 where: bonds (distance) C4'-P energy: -122.073 bonds (distance) P-C4' energy: -147.462 flat angles C4'-P-C4' energy: -172.707 flat angles P-C4'-P energy: -91.110 tors. eta vs tors. theta energy: -133.885 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: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1420.098726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.098726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.098726 (E_RNA) where: Base-Base interactions energy: -837.434 where: short stacking energy: -406.934 Base-Backbone interact. energy: 9.857 local terms energy: -592.521972 where: bonds (distance) C4'-P energy: -134.223 bonds (distance) P-C4' energy: -144.122 flat angles C4'-P-C4' energy: -147.891 flat angles P-C4'-P energy: -97.261 tors. eta vs tors. theta energy: -69.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1353.208466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.208466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.208466 (E_RNA) where: Base-Base interactions energy: -811.539 where: short stacking energy: -389.010 Base-Backbone interact. energy: 3.586 local terms energy: -545.255899 where: bonds (distance) C4'-P energy: -130.239 bonds (distance) P-C4' energy: -155.026 flat angles C4'-P-C4' energy: -129.186 flat angles P-C4'-P energy: -76.248 tors. eta vs tors. theta energy: -54.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1079.405875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.405875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.405875 (E_RNA) where: Base-Base interactions energy: -599.053 where: short stacking energy: -336.259 Base-Backbone interact. energy: 2.051 local terms energy: -482.403151 where: bonds (distance) C4'-P energy: -120.395 bonds (distance) P-C4' energy: -147.889 flat angles C4'-P-C4' energy: -107.053 flat angles P-C4'-P energy: -81.359 tors. eta vs tors. theta energy: -25.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -960.406312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.406312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.406312 (E_RNA) where: Base-Base interactions energy: -502.020 where: short stacking energy: -245.871 Base-Backbone interact. energy: -4.299 local terms energy: -454.087495 where: bonds (distance) C4'-P energy: -139.520 bonds (distance) P-C4' energy: -123.444 flat angles C4'-P-C4' energy: -118.053 flat angles P-C4'-P energy: -68.145 tors. eta vs tors. theta energy: -4.925 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: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2829.913749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.913749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.913749 (E_RNA) where: Base-Base interactions energy: -1931.654 where: short stacking energy: -810.256 Base-Backbone interact. energy: -5.746 local terms energy: -892.513344 where: bonds (distance) C4'-P energy: -180.092 bonds (distance) P-C4' energy: -172.765 flat angles C4'-P-C4' energy: -177.272 flat angles P-C4'-P energy: -125.651 tors. eta vs tors. theta energy: -236.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2693.522782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.522782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.522782 (E_RNA) where: Base-Base interactions energy: -1816.309 where: short stacking energy: -780.811 Base-Backbone interact. energy: -3.773 local terms energy: -873.440915 where: bonds (distance) C4'-P energy: -162.212 bonds (distance) P-C4' energy: -172.235 flat angles C4'-P-C4' energy: -190.777 flat angles P-C4'-P energy: -123.726 tors. eta vs tors. theta energy: -224.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2506.083620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.083620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.083620 (E_RNA) where: Base-Base interactions energy: -1708.871 where: short stacking energy: -702.185 Base-Backbone interact. energy: -4.012 local terms energy: -793.200793 where: bonds (distance) C4'-P energy: -147.683 bonds (distance) P-C4' energy: -173.887 flat angles C4'-P-C4' energy: -179.688 flat angles P-C4'-P energy: -107.211 tors. eta vs tors. theta energy: -184.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2227.980019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.980019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.980019 (E_RNA) where: Base-Base interactions energy: -1487.567 where: short stacking energy: -633.038 Base-Backbone interact. energy: 1.627 local terms energy: -742.039834 where: bonds (distance) C4'-P energy: -155.138 bonds (distance) P-C4' energy: -167.065 flat angles C4'-P-C4' energy: -162.606 flat angles P-C4'-P energy: -107.258 tors. eta vs tors. theta energy: -149.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2026.498479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.498479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.498479 (E_RNA) where: Base-Base interactions energy: -1276.518 where: short stacking energy: -559.628 Base-Backbone interact. energy: -1.065 local terms energy: -748.915219 where: bonds (distance) C4'-P energy: -161.237 bonds (distance) P-C4' energy: -152.491 flat angles C4'-P-C4' energy: -168.960 flat angles P-C4'-P energy: -108.901 tors. eta vs tors. theta energy: -157.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1929.525754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.525754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.525754 (E_RNA) where: Base-Base interactions energy: -1260.746 where: short stacking energy: -555.357 Base-Backbone interact. energy: -0.638 local terms energy: -668.141273 where: bonds (distance) C4'-P energy: -136.667 bonds (distance) P-C4' energy: -143.674 flat angles C4'-P-C4' energy: -161.208 flat angles P-C4'-P energy: -91.077 tors. eta vs tors. theta energy: -135.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1431.045874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.045874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.045874 (E_RNA) where: Base-Base interactions energy: -872.164 where: short stacking energy: -438.641 Base-Backbone interact. energy: 7.657 local terms energy: -566.538389 where: bonds (distance) C4'-P energy: -129.332 bonds (distance) P-C4' energy: -133.740 flat angles C4'-P-C4' energy: -125.148 flat angles P-C4'-P energy: -88.076 tors. eta vs tors. theta energy: -90.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1412.048694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.048694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.048694 (E_RNA) where: Base-Base interactions energy: -804.098 where: short stacking energy: -374.452 Base-Backbone interact. energy: 2.347 local terms energy: -610.298131 where: bonds (distance) C4'-P energy: -135.349 bonds (distance) P-C4' energy: -167.561 flat angles C4'-P-C4' energy: -159.606 flat angles P-C4'-P energy: -92.659 tors. eta vs tors. theta energy: -55.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1082.368731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.368731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.368731 (E_RNA) where: Base-Base interactions energy: -578.455 where: short stacking energy: -314.424 Base-Backbone interact. energy: 5.482 local terms energy: -509.395265 where: bonds (distance) C4'-P energy: -132.485 bonds (distance) P-C4' energy: -141.731 flat angles C4'-P-C4' energy: -133.756 flat angles P-C4'-P energy: -85.118 tors. eta vs tors. theta energy: -16.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -961.848185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.848185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.848185 (E_RNA) where: Base-Base interactions energy: -496.922 where: short stacking energy: -256.561 Base-Backbone interact. energy: -3.577 local terms energy: -461.349482 where: bonds (distance) C4'-P energy: -109.197 bonds (distance) P-C4' energy: -128.340 flat angles C4'-P-C4' energy: -118.299 flat angles P-C4'-P energy: -94.106 tors. eta vs tors. theta energy: -11.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2795.315848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.315848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.315848 (E_RNA) where: Base-Base interactions energy: -1912.719 where: short stacking energy: -765.073 Base-Backbone interact. energy: -0.200 local terms energy: -882.397224 where: bonds (distance) C4'-P energy: -158.116 bonds (distance) P-C4' energy: -174.065 flat angles C4'-P-C4' energy: -193.141 flat angles P-C4'-P energy: -134.439 tors. eta vs tors. theta energy: -222.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2735.793385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.793385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.793385 (E_RNA) where: Base-Base interactions energy: -1867.145 where: short stacking energy: -801.800 Base-Backbone interact. energy: -4.130 local terms energy: -864.517989 where: bonds (distance) C4'-P energy: -170.244 bonds (distance) P-C4' energy: -165.838 flat angles C4'-P-C4' energy: -185.418 flat angles P-C4'-P energy: -112.444 tors. eta vs tors. theta energy: -230.573 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: 7 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2561.346355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.346355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.346355 (E_RNA) where: Base-Base interactions energy: -1764.790 where: short stacking energy: -756.380 Base-Backbone interact. energy: -1.919 local terms energy: -794.636635 where: bonds (distance) C4'-P energy: -147.754 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -181.103 flat angles P-C4'-P energy: -109.640 tors. eta vs tors. theta energy: -207.326 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: 4, replica: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2238.980267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.980267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.980267 (E_RNA) where: Base-Base interactions energy: -1541.393 where: short stacking energy: -623.084 Base-Backbone interact. energy: -3.045 local terms energy: -694.542252 where: bonds (distance) C4'-P energy: -127.227 bonds (distance) P-C4' energy: -155.746 flat angles C4'-P-C4' energy: -155.863 flat angles P-C4'-P energy: -97.842 tors. eta vs tors. theta energy: -157.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2044.164024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.164024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.164024 (E_RNA) where: Base-Base interactions energy: -1328.348 where: short stacking energy: -617.820 Base-Backbone interact. energy: -4.018 local terms energy: -711.797647 where: bonds (distance) C4'-P energy: -132.974 bonds (distance) P-C4' energy: -155.608 flat angles C4'-P-C4' energy: -158.178 flat angles P-C4'-P energy: -104.374 tors. eta vs tors. theta energy: -160.664 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: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1939.024305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.024305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.024305 (E_RNA) where: Base-Base interactions energy: -1238.679 where: short stacking energy: -563.584 Base-Backbone interact. energy: -0.458 local terms energy: -699.886899 where: bonds (distance) C4'-P energy: -141.366 bonds (distance) P-C4' energy: -148.540 flat angles C4'-P-C4' energy: -158.809 flat angles P-C4'-P energy: -89.435 tors. eta vs tors. theta energy: -161.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1434.582840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.582840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.582840 (E_RNA) where: Base-Base interactions energy: -844.484 where: short stacking energy: -417.085 Base-Backbone interact. energy: 0.640 local terms energy: -590.739585 where: bonds (distance) C4'-P energy: -151.342 bonds (distance) P-C4' energy: -154.823 flat angles C4'-P-C4' energy: -139.336 flat angles P-C4'-P energy: -90.800 tors. eta vs tors. theta energy: -54.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1361.322933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.322933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.322933 (E_RNA) where: Base-Base interactions energy: -782.315 where: short stacking energy: -397.311 Base-Backbone interact. energy: 4.004 local terms energy: -583.012239 where: bonds (distance) C4'-P energy: -148.355 bonds (distance) P-C4' energy: -151.531 flat angles C4'-P-C4' energy: -141.251 flat angles P-C4'-P energy: -66.869 tors. eta vs tors. theta energy: -75.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1128.897752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.897752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.897752 (E_RNA) where: Base-Base interactions energy: -643.333 where: short stacking energy: -296.739 Base-Backbone interact. energy: 3.697 local terms energy: -489.261574 where: bonds (distance) C4'-P energy: -148.767 bonds (distance) P-C4' energy: -143.631 flat angles C4'-P-C4' energy: -118.760 flat angles P-C4'-P energy: -61.932 tors. eta vs tors. theta energy: -16.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -919.148829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.148829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.148829 (E_RNA) where: Base-Base interactions energy: -456.560 where: short stacking energy: -254.767 Base-Backbone interact. energy: 5.306 local terms energy: -467.894279 where: bonds (distance) C4'-P energy: -136.897 bonds (distance) P-C4' energy: -144.200 flat angles C4'-P-C4' energy: -108.156 flat angles P-C4'-P energy: -69.503 tors. eta vs tors. theta energy: -9.138 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: 1, replica: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2788.671425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.671425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.671425 (E_RNA) where: Base-Base interactions energy: -1912.255 where: short stacking energy: -737.213 Base-Backbone interact. energy: -7.985 local terms energy: -868.430860 where: bonds (distance) C4'-P energy: -156.453 bonds (distance) P-C4' energy: -174.644 flat angles C4'-P-C4' energy: -180.516 flat angles P-C4'-P energy: -127.430 tors. eta vs tors. theta energy: -229.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2729.746269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.746269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.746269 (E_RNA) where: Base-Base interactions energy: -1858.315 where: short stacking energy: -792.396 Base-Backbone interact. energy: -2.686 local terms energy: -868.745645 where: bonds (distance) C4'-P energy: -165.679 bonds (distance) P-C4' energy: -167.147 flat angles C4'-P-C4' energy: -176.860 flat angles P-C4'-P energy: -110.829 tors. eta vs tors. theta energy: -248.230 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: 3, replica: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2491.907643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.907643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.907643 (E_RNA) where: Base-Base interactions energy: -1667.010 where: short stacking energy: -703.052 Base-Backbone interact. energy: -4.534 local terms energy: -820.363632 where: bonds (distance) C4'-P energy: -154.203 bonds (distance) P-C4' energy: -164.091 flat angles C4'-P-C4' energy: -174.277 flat angles P-C4'-P energy: -123.858 tors. eta vs tors. theta energy: -203.935 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: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2334.356763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.356763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.356763 (E_RNA) where: Base-Base interactions energy: -1570.272 where: short stacking energy: -675.564 Base-Backbone interact. energy: -5.296 local terms energy: -758.789288 where: bonds (distance) C4'-P energy: -151.413 bonds (distance) P-C4' energy: -148.090 flat angles C4'-P-C4' energy: -167.341 flat angles P-C4'-P energy: -102.528 tors. eta vs tors. theta energy: -189.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2137.873472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.873472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.873472 (E_RNA) where: Base-Base interactions energy: -1404.806 where: short stacking energy: -606.141 Base-Backbone interact. energy: -6.415 local terms energy: -726.652171 where: bonds (distance) C4'-P energy: -133.882 bonds (distance) P-C4' energy: -157.986 flat angles C4'-P-C4' energy: -160.300 flat angles P-C4'-P energy: -110.456 tors. eta vs tors. theta energy: -164.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1905.537778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.537778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.537778 (E_RNA) where: Base-Base interactions energy: -1216.451 where: short stacking energy: -550.785 Base-Backbone interact. energy: 0.988 local terms energy: -690.074763 where: bonds (distance) C4'-P energy: -149.052 bonds (distance) P-C4' energy: -128.674 flat angles C4'-P-C4' energy: -167.656 flat angles P-C4'-P energy: -96.546 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: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1453.326751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.326751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.326751 (E_RNA) where: Base-Base interactions energy: -855.280 where: short stacking energy: -431.057 Base-Backbone interact. energy: 0.239 local terms energy: -598.285762 where: bonds (distance) C4'-P energy: -145.129 bonds (distance) P-C4' energy: -143.778 flat angles C4'-P-C4' energy: -139.309 flat angles P-C4'-P energy: -95.145 tors. eta vs tors. theta energy: -74.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1353.880174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.880174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.880174 (E_RNA) where: Base-Base interactions energy: -813.973 where: short stacking energy: -400.780 Base-Backbone interact. energy: -0.434 local terms energy: -539.473052 where: bonds (distance) C4'-P energy: -131.507 bonds (distance) P-C4' energy: -149.481 flat angles C4'-P-C4' energy: -135.503 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -57.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1099.578376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.578376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.578376 (E_RNA) where: Base-Base interactions energy: -581.220 where: short stacking energy: -280.399 Base-Backbone interact. energy: -5.567 local terms energy: -512.791442 where: bonds (distance) C4'-P energy: -139.551 bonds (distance) P-C4' energy: -145.727 flat angles C4'-P-C4' energy: -150.206 flat angles P-C4'-P energy: -58.723 tors. eta vs tors. theta energy: -18.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -876.483293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.483293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.483293 (E_RNA) where: Base-Base interactions energy: -492.837 where: short stacking energy: -263.857 Base-Backbone interact. energy: -0.050 local terms energy: -383.596338 where: bonds (distance) C4'-P energy: -96.661 bonds (distance) P-C4' energy: -122.498 flat angles C4'-P-C4' energy: -107.090 flat angles P-C4'-P energy: -75.840 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: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2798.083667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.083667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.083667 (E_RNA) where: Base-Base interactions energy: -1921.119 where: short stacking energy: -794.171 Base-Backbone interact. energy: -2.550 local terms energy: -874.415126 where: bonds (distance) C4'-P energy: -164.161 bonds (distance) P-C4' energy: -178.982 flat angles C4'-P-C4' energy: -184.427 flat angles P-C4'-P energy: -110.585 tors. eta vs tors. theta energy: -236.261 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: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2718.343765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.343765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.343765 (E_RNA) where: Base-Base interactions energy: -1859.275 where: short stacking energy: -813.027 Base-Backbone interact. energy: -3.488 local terms energy: -855.580960 where: bonds (distance) C4'-P energy: -158.892 bonds (distance) P-C4' energy: -145.899 flat angles C4'-P-C4' energy: -185.994 flat angles P-C4'-P energy: -121.804 tors. eta vs tors. theta energy: -242.992 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: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2534.758651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.758651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.758651 (E_RNA) where: Base-Base interactions energy: -1736.227 where: short stacking energy: -736.032 Base-Backbone interact. energy: -1.728 local terms energy: -796.803383 where: bonds (distance) C4'-P energy: -147.446 bonds (distance) P-C4' energy: -146.149 flat angles C4'-P-C4' energy: -184.354 flat angles P-C4'-P energy: -105.494 tors. eta vs tors. theta energy: -213.360 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: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2301.195052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.195052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.195052 (E_RNA) where: Base-Base interactions energy: -1500.886 where: short stacking energy: -678.199 Base-Backbone interact. energy: -3.968 local terms energy: -796.341729 where: bonds (distance) C4'-P energy: -159.004 bonds (distance) P-C4' energy: -161.467 flat angles C4'-P-C4' energy: -173.651 flat angles P-C4'-P energy: -111.995 tors. eta vs tors. theta energy: -190.225 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: 98 Temperature: 1.100000 Total energy: -2178.319767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.319767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.319767 (E_RNA) where: Base-Base interactions energy: -1403.086 where: short stacking energy: -618.109 Base-Backbone interact. energy: -2.512 local terms energy: -772.721738 where: bonds (distance) C4'-P energy: -154.025 bonds (distance) P-C4' energy: -173.074 flat angles C4'-P-C4' energy: -162.250 flat angles P-C4'-P energy: -104.664 tors. eta vs tors. theta energy: -178.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1930.417318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.417318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.417318 (E_RNA) where: Base-Base interactions energy: -1238.006 where: short stacking energy: -575.513 Base-Backbone interact. energy: 3.240 local terms energy: -695.651690 where: bonds (distance) C4'-P energy: -135.514 bonds (distance) P-C4' energy: -136.026 flat angles C4'-P-C4' energy: -154.262 flat angles P-C4'-P energy: -105.767 tors. eta vs tors. theta energy: -164.082 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: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1460.381851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.381851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.381851 (E_RNA) where: Base-Base interactions energy: -892.792 where: short stacking energy: -433.844 Base-Backbone interact. energy: 0.778 local terms energy: -568.367483 where: bonds (distance) C4'-P energy: -132.699 bonds (distance) P-C4' energy: -146.357 flat angles C4'-P-C4' energy: -133.480 flat angles P-C4'-P energy: -84.860 tors. eta vs tors. theta energy: -70.972 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: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1465.948604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.948604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.948604 (E_RNA) where: Base-Base interactions energy: -894.520 where: short stacking energy: -409.498 Base-Backbone interact. energy: -1.492 local terms energy: -569.936691 where: bonds (distance) C4'-P energy: -137.994 bonds (distance) P-C4' energy: -125.111 flat angles C4'-P-C4' energy: -137.379 flat angles P-C4'-P energy: -93.046 tors. eta vs tors. theta energy: -76.407 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: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1164.545876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.545876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.545876 (E_RNA) where: Base-Base interactions energy: -677.148 where: short stacking energy: -324.251 Base-Backbone interact. energy: 9.998 local terms energy: -497.396317 where: bonds (distance) C4'-P energy: -123.665 bonds (distance) P-C4' energy: -160.037 flat angles C4'-P-C4' energy: -118.003 flat angles P-C4'-P energy: -68.014 tors. eta vs tors. theta energy: -27.678 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: 98 Temperature: 1.350000 Total energy: -944.991171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.991171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.991171 (E_RNA) where: Base-Base interactions energy: -482.203 where: short stacking energy: -261.372 Base-Backbone interact. energy: -2.109 local terms energy: -460.678884 where: bonds (distance) C4'-P energy: -121.182 bonds (distance) P-C4' energy: -159.083 flat angles C4'-P-C4' energy: -114.360 flat angles P-C4'-P energy: -67.697 tors. eta vs tors. theta energy: 1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2838.256753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.256753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.256753 (E_RNA) where: Base-Base interactions energy: -1961.933 where: short stacking energy: -791.479 Base-Backbone interact. energy: -4.074 local terms energy: -872.249754 where: bonds (distance) C4'-P energy: -157.194 bonds (distance) P-C4' energy: -171.269 flat angles C4'-P-C4' energy: -188.664 flat angles P-C4'-P energy: -120.780 tors. eta vs tors. theta energy: -234.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2674.692006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.692006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.692006 (E_RNA) where: Base-Base interactions energy: -1834.768 where: short stacking energy: -794.785 Base-Backbone interact. energy: -4.500 local terms energy: -835.423143 where: bonds (distance) C4'-P energy: -146.229 bonds (distance) P-C4' energy: -146.849 flat angles C4'-P-C4' energy: -183.989 flat angles P-C4'-P energy: -123.744 tors. eta vs tors. theta energy: -234.611 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: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2561.228142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.228142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.228142 (E_RNA) where: Base-Base interactions energy: -1723.067 where: short stacking energy: -706.789 Base-Backbone interact. energy: -7.701 local terms energy: -830.460227 where: bonds (distance) C4'-P energy: -152.657 bonds (distance) P-C4' energy: -164.262 flat angles C4'-P-C4' energy: -184.631 flat angles P-C4'-P energy: -125.381 tors. eta vs tors. theta energy: -203.530 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: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2257.370457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.370457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.370457 (E_RNA) where: Base-Base interactions energy: -1485.730 where: short stacking energy: -621.263 Base-Backbone interact. energy: -4.115 local terms energy: -767.526080 where: bonds (distance) C4'-P energy: -158.199 bonds (distance) P-C4' energy: -165.146 flat angles C4'-P-C4' energy: -163.962 flat angles P-C4'-P energy: -109.928 tors. eta vs tors. theta energy: -170.291 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: 99 Temperature: 1.100000 Total energy: -2144.185078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.185078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.185078 (E_RNA) where: Base-Base interactions energy: -1397.357 where: short stacking energy: -626.225 Base-Backbone interact. energy: -5.422 local terms energy: -741.405892 where: bonds (distance) C4'-P energy: -129.247 bonds (distance) P-C4' energy: -166.838 flat angles C4'-P-C4' energy: -169.901 flat angles P-C4'-P energy: -93.442 tors. eta vs tors. theta energy: -181.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1916.418493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.418493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.418493 (E_RNA) where: Base-Base interactions energy: -1229.053 where: short stacking energy: -533.125 Base-Backbone interact. energy: 0.116 local terms energy: -687.481309 where: bonds (distance) C4'-P energy: -149.337 bonds (distance) P-C4' energy: -157.871 flat angles C4'-P-C4' energy: -149.535 flat angles P-C4'-P energy: -103.421 tors. eta vs tors. theta energy: -127.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1419.140368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.140368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.140368 (E_RNA) where: Base-Base interactions energy: -840.447 where: short stacking energy: -397.912 Base-Backbone interact. energy: -4.821 local terms energy: -573.871478 where: bonds (distance) C4'-P energy: -142.252 bonds (distance) P-C4' energy: -133.775 flat angles C4'-P-C4' energy: -156.885 flat angles P-C4'-P energy: -85.826 tors. eta vs tors. theta energy: -55.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1416.359216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.359216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.359216 (E_RNA) where: Base-Base interactions energy: -852.075 where: short stacking energy: -416.260 Base-Backbone interact. energy: -0.913 local terms energy: -563.371783 where: bonds (distance) C4'-P energy: -150.765 bonds (distance) P-C4' energy: -128.606 flat angles C4'-P-C4' energy: -130.271 flat angles P-C4'-P energy: -69.921 tors. eta vs tors. theta energy: -83.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1179.058832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.058832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.058832 (E_RNA) where: Base-Base interactions energy: -662.172 where: short stacking energy: -319.056 Base-Backbone interact. energy: -0.081 local terms energy: -516.806429 where: bonds (distance) C4'-P energy: -147.723 bonds (distance) P-C4' energy: -166.751 flat angles C4'-P-C4' energy: -125.533 flat angles P-C4'-P energy: -47.409 tors. eta vs tors. theta energy: -29.390 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: 99 Temperature: 1.350000 Total energy: -958.402302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.402302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.402302 (E_RNA) where: Base-Base interactions energy: -458.965 where: short stacking energy: -253.045 Base-Backbone interact. energy: 2.497 local terms energy: -501.933653 where: bonds (distance) C4'-P energy: -146.743 bonds (distance) P-C4' energy: -148.731 flat angles C4'-P-C4' energy: -123.877 flat angles P-C4'-P energy: -90.037 tors. eta vs tors. theta energy: 7.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2843.659704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.659704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.659704 (E_RNA) where: Base-Base interactions energy: -1960.905 where: short stacking energy: -796.957 Base-Backbone interact. energy: -5.777 local terms energy: -876.977851 where: bonds (distance) C4'-P energy: -159.542 bonds (distance) P-C4' energy: -162.171 flat angles C4'-P-C4' energy: -194.454 flat angles P-C4'-P energy: -116.974 tors. eta vs tors. theta energy: -243.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2685.958635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.958635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.958635 (E_RNA) where: Base-Base interactions energy: -1824.242 where: short stacking energy: -746.144 Base-Backbone interact. energy: -5.123 local terms energy: -856.593766 where: bonds (distance) C4'-P energy: -161.046 bonds (distance) P-C4' energy: -170.788 flat angles C4'-P-C4' energy: -175.117 flat angles P-C4'-P energy: -136.803 tors. eta vs tors. theta energy: -212.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2479.752126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.752126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.752126 (E_RNA) where: Base-Base interactions energy: -1692.652 where: short stacking energy: -681.909 Base-Backbone interact. energy: -0.350 local terms energy: -786.750642 where: bonds (distance) C4'-P energy: -140.749 bonds (distance) P-C4' energy: -158.650 flat angles C4'-P-C4' energy: -183.239 flat angles P-C4'-P energy: -107.909 tors. eta vs tors. theta energy: -196.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2291.367850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.367850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.367850 (E_RNA) where: Base-Base interactions energy: -1570.932 where: short stacking energy: -668.092 Base-Backbone interact. energy: -4.252 local terms energy: -716.184205 where: bonds (distance) C4'-P energy: -134.539 bonds (distance) P-C4' energy: -142.115 flat angles C4'-P-C4' energy: -153.150 flat angles P-C4'-P energy: -109.663 tors. eta vs tors. theta energy: -176.717 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: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2138.225814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.225814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.225814 (E_RNA) where: Base-Base interactions energy: -1398.252 where: short stacking energy: -610.143 Base-Backbone interact. energy: 0.020 local terms energy: -739.993023 where: bonds (distance) C4'-P energy: -143.662 bonds (distance) P-C4' energy: -171.544 flat angles C4'-P-C4' energy: -165.844 flat angles P-C4'-P energy: -101.263 tors. eta vs tors. theta energy: -157.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1872.396694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.396694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.396694 (E_RNA) where: Base-Base interactions energy: -1208.912 where: short stacking energy: -538.234 Base-Backbone interact. energy: 2.518 local terms energy: -666.002772 where: bonds (distance) C4'-P energy: -135.420 bonds (distance) P-C4' energy: -146.048 flat angles C4'-P-C4' energy: -163.389 flat angles P-C4'-P energy: -84.526 tors. eta vs tors. theta energy: -136.620 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: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1495.386819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.386819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.386819 (E_RNA) where: Base-Base interactions energy: -881.053 where: short stacking energy: -442.921 Base-Backbone interact. energy: -0.984 local terms energy: -613.350287 where: bonds (distance) C4'-P energy: -142.073 bonds (distance) P-C4' energy: -147.701 flat angles C4'-P-C4' energy: -150.755 flat angles P-C4'-P energy: -84.252 tors. eta vs tors. theta energy: -88.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1401.490883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.490883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.490883 (E_RNA) where: Base-Base interactions energy: -871.139 where: short stacking energy: -414.182 Base-Backbone interact. energy: -0.190 local terms energy: -530.161928 where: bonds (distance) C4'-P energy: -125.498 bonds (distance) P-C4' energy: -137.421 flat angles C4'-P-C4' energy: -121.380 flat angles P-C4'-P energy: -75.558 tors. eta vs tors. theta energy: -70.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1065.855113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.855113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.855113 (E_RNA) where: Base-Base interactions energy: -579.452 where: short stacking energy: -306.585 Base-Backbone interact. energy: 2.725 local terms energy: -489.127806 where: bonds (distance) C4'-P energy: -128.143 bonds (distance) P-C4' energy: -135.952 flat angles C4'-P-C4' energy: -132.717 flat angles P-C4'-P energy: -67.040 tors. eta vs tors. theta energy: -25.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -967.235620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.235620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.235620 (E_RNA) where: Base-Base interactions energy: -496.355 where: short stacking energy: -268.790 Base-Backbone interact. energy: -2.850 local terms energy: -468.030291 where: bonds (distance) C4'-P energy: -121.577 bonds (distance) P-C4' energy: -132.106 flat angles C4'-P-C4' energy: -116.203 flat angles P-C4'-P energy: -73.152 tors. eta vs tors. theta energy: -24.992 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: 1, replica: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2837.477519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.477519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.477519 (E_RNA) where: Base-Base interactions energy: -1945.207 where: short stacking energy: -778.260 Base-Backbone interact. energy: -4.073 local terms energy: -888.197417 where: bonds (distance) C4'-P energy: -168.858 bonds (distance) P-C4' energy: -174.347 flat angles C4'-P-C4' energy: -188.351 flat angles P-C4'-P energy: -121.809 tors. eta vs tors. theta energy: -234.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2748.283984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.283984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.283984 (E_RNA) where: Base-Base interactions energy: -1906.300 where: short stacking energy: -808.107 Base-Backbone interact. energy: -4.348 local terms energy: -837.636227 where: bonds (distance) C4'-P energy: -143.049 bonds (distance) P-C4' energy: -152.561 flat angles C4'-P-C4' energy: -179.946 flat angles P-C4'-P energy: -120.886 tors. eta vs tors. theta energy: -241.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2535.582277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.582277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.582277 (E_RNA) where: Base-Base interactions energy: -1723.488 where: short stacking energy: -693.488 Base-Backbone interact. energy: 1.748 local terms energy: -813.842780 where: bonds (distance) C4'-P energy: -153.502 bonds (distance) P-C4' energy: -157.581 flat angles C4'-P-C4' energy: -182.453 flat angles P-C4'-P energy: -118.538 tors. eta vs tors. theta energy: -201.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2354.693100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.693100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.693100 (E_RNA) where: Base-Base interactions energy: -1590.217 where: short stacking energy: -677.049 Base-Backbone interact. energy: -3.646 local terms energy: -760.829754 where: bonds (distance) C4'-P energy: -158.179 bonds (distance) P-C4' energy: -162.232 flat angles C4'-P-C4' energy: -163.794 flat angles P-C4'-P energy: -101.776 tors. eta vs tors. theta energy: -174.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2180.282364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.282364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.282364 (E_RNA) where: Base-Base interactions energy: -1471.152 where: short stacking energy: -667.859 Base-Backbone interact. energy: -0.310 local terms energy: -708.820635 where: bonds (distance) C4'-P energy: -156.223 bonds (distance) P-C4' energy: -140.024 flat angles C4'-P-C4' energy: -155.203 flat angles P-C4'-P energy: -99.867 tors. eta vs tors. theta energy: -157.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2018.791174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.791174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.791174 (E_RNA) where: Base-Base interactions energy: -1324.589 where: short stacking energy: -556.788 Base-Backbone interact. energy: -2.273 local terms energy: -691.929205 where: bonds (distance) C4'-P energy: -143.878 bonds (distance) P-C4' energy: -136.962 flat angles C4'-P-C4' energy: -159.354 flat angles P-C4'-P energy: -107.997 tors. eta vs tors. theta energy: -143.737 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: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1581.613259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.613259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.613259 (E_RNA) where: Base-Base interactions energy: -955.226 where: short stacking energy: -481.934 Base-Backbone interact. energy: -1.708 local terms energy: -624.679396 where: bonds (distance) C4'-P energy: -128.506 bonds (distance) P-C4' energy: -133.882 flat angles C4'-P-C4' energy: -155.027 flat angles P-C4'-P energy: -98.628 tors. eta vs tors. theta energy: -108.637 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: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1468.930126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.930126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.930126 (E_RNA) where: Base-Base interactions energy: -881.616 where: short stacking energy: -408.854 Base-Backbone interact. energy: 3.086 local terms energy: -590.400093 where: bonds (distance) C4'-P energy: -131.628 bonds (distance) P-C4' energy: -145.087 flat angles C4'-P-C4' energy: -149.943 flat angles P-C4'-P energy: -92.121 tors. eta vs tors. theta energy: -71.622 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: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1103.141261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.141261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.141261 (E_RNA) where: Base-Base interactions energy: -619.438 where: short stacking energy: -316.740 Base-Backbone interact. energy: 4.861 local terms energy: -488.563919 where: bonds (distance) C4'-P energy: -137.185 bonds (distance) P-C4' energy: -138.423 flat angles C4'-P-C4' energy: -113.617 flat angles P-C4'-P energy: -71.660 tors. eta vs tors. theta energy: -27.678 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: 101 Temperature: 1.350000 Total energy: -968.187059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.187059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.187059 (E_RNA) where: Base-Base interactions energy: -513.982 where: short stacking energy: -259.128 Base-Backbone interact. energy: 0.826 local terms energy: -455.030163 where: bonds (distance) C4'-P energy: -123.718 bonds (distance) P-C4' energy: -154.977 flat angles C4'-P-C4' energy: -124.157 flat angles P-C4'-P energy: -62.706 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: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2812.183541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.183541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.183541 (E_RNA) where: Base-Base interactions energy: -1935.115 where: short stacking energy: -825.834 Base-Backbone interact. energy: -5.313 local terms energy: -871.755070 where: bonds (distance) C4'-P energy: -157.769 bonds (distance) P-C4' energy: -158.963 flat angles C4'-P-C4' energy: -195.027 flat angles P-C4'-P energy: -116.113 tors. eta vs tors. theta energy: -243.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2711.558653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.558653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.558653 (E_RNA) where: Base-Base interactions energy: -1836.365 where: short stacking energy: -789.818 Base-Backbone interact. energy: 0.467 local terms energy: -875.661239 where: bonds (distance) C4'-P energy: -160.176 bonds (distance) P-C4' energy: -182.569 flat angles C4'-P-C4' energy: -181.175 flat angles P-C4'-P energy: -119.285 tors. eta vs tors. theta energy: -232.456 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: 3, replica: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2482.637208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.637208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.637208 (E_RNA) where: Base-Base interactions energy: -1693.423 where: short stacking energy: -708.310 Base-Backbone interact. energy: 1.065 local terms energy: -790.279376 where: bonds (distance) C4'-P energy: -157.085 bonds (distance) P-C4' energy: -169.762 flat angles C4'-P-C4' energy: -174.663 flat angles P-C4'-P energy: -101.044 tors. eta vs tors. theta energy: -187.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2423.494543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.494543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.494543 (E_RNA) where: Base-Base interactions energy: -1660.352 where: short stacking energy: -682.470 Base-Backbone interact. energy: -2.614 local terms energy: -760.529335 where: bonds (distance) C4'-P energy: -166.638 bonds (distance) P-C4' energy: -150.062 flat angles C4'-P-C4' energy: -153.752 flat angles P-C4'-P energy: -109.413 tors. eta vs tors. theta energy: -180.664 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: 102 Temperature: 1.100000 Total energy: -2137.343397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.343397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.343397 (E_RNA) where: Base-Base interactions energy: -1409.148 where: short stacking energy: -623.074 Base-Backbone interact. energy: 4.937 local terms energy: -733.132028 where: bonds (distance) C4'-P energy: -144.759 bonds (distance) P-C4' energy: -154.506 flat angles C4'-P-C4' energy: -158.352 flat angles P-C4'-P energy: -100.279 tors. eta vs tors. theta energy: -175.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2054.399893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.399893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.399893 (E_RNA) where: Base-Base interactions energy: -1357.622 where: short stacking energy: -587.138 Base-Backbone interact. energy: -3.601 local terms energy: -693.177076 where: bonds (distance) C4'-P energy: -155.490 bonds (distance) P-C4' energy: -152.355 flat angles C4'-P-C4' energy: -140.369 flat angles P-C4'-P energy: -83.941 tors. eta vs tors. theta energy: -161.021 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: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1532.958587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.958587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.958587 (E_RNA) where: Base-Base interactions energy: -928.888 where: short stacking energy: -452.016 Base-Backbone interact. energy: -3.279 local terms energy: -600.792456 where: bonds (distance) C4'-P energy: -138.665 bonds (distance) P-C4' energy: -133.702 flat angles C4'-P-C4' energy: -145.819 flat angles P-C4'-P energy: -86.736 tors. eta vs tors. theta energy: -95.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1466.532886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.532886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.532886 (E_RNA) where: Base-Base interactions energy: -862.937 where: short stacking energy: -381.900 Base-Backbone interact. energy: 0.641 local terms energy: -604.236899 where: bonds (distance) C4'-P energy: -145.006 bonds (distance) P-C4' energy: -151.647 flat angles C4'-P-C4' energy: -148.773 flat angles P-C4'-P energy: -81.897 tors. eta vs tors. theta energy: -76.913 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: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1142.975107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.975107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.975107 (E_RNA) where: Base-Base interactions energy: -627.355 where: short stacking energy: -328.836 Base-Backbone interact. energy: -2.604 local terms energy: -513.016674 where: bonds (distance) C4'-P energy: -117.549 bonds (distance) P-C4' energy: -162.142 flat angles C4'-P-C4' energy: -134.631 flat angles P-C4'-P energy: -66.813 tors. eta vs tors. theta energy: -31.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -984.197321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.197321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.197321 (E_RNA) where: Base-Base interactions energy: -529.600 where: short stacking energy: -278.962 Base-Backbone interact. energy: -3.844 local terms energy: -450.753878 where: bonds (distance) C4'-P energy: -140.645 bonds (distance) P-C4' energy: -137.163 flat angles C4'-P-C4' energy: -117.002 flat angles P-C4'-P energy: -57.290 tors. eta vs tors. theta energy: 1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2827.389372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.389372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.389372 (E_RNA) where: Base-Base interactions energy: -1951.906 where: short stacking energy: -824.403 Base-Backbone interact. energy: -6.521 local terms energy: -868.961904 where: bonds (distance) C4'-P energy: -148.678 bonds (distance) P-C4' energy: -186.269 flat angles C4'-P-C4' energy: -183.198 flat angles P-C4'-P energy: -112.611 tors. eta vs tors. theta energy: -238.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2693.187566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.187566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.187566 (E_RNA) where: Base-Base interactions energy: -1823.432 where: short stacking energy: -784.233 Base-Backbone interact. energy: -0.507 local terms energy: -869.248886 where: bonds (distance) C4'-P energy: -150.483 bonds (distance) P-C4' energy: -178.080 flat angles C4'-P-C4' energy: -191.574 flat angles P-C4'-P energy: -106.830 tors. eta vs tors. theta energy: -242.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2514.723610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.723610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.723610 (E_RNA) where: Base-Base interactions energy: -1704.876 where: short stacking energy: -694.146 Base-Backbone interact. energy: -1.344 local terms energy: -808.504204 where: bonds (distance) C4'-P energy: -155.735 bonds (distance) P-C4' energy: -164.624 flat angles C4'-P-C4' energy: -177.543 flat angles P-C4'-P energy: -116.301 tors. eta vs tors. theta energy: -194.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2348.324753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.324753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.324753 (E_RNA) where: Base-Base interactions energy: -1614.420 where: short stacking energy: -657.970 Base-Backbone interact. energy: -1.094 local terms energy: -732.810423 where: bonds (distance) C4'-P energy: -137.147 bonds (distance) P-C4' energy: -152.788 flat angles C4'-P-C4' energy: -170.925 flat angles P-C4'-P energy: -105.528 tors. eta vs tors. theta energy: -166.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2169.245859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.245859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.245859 (E_RNA) where: Base-Base interactions energy: -1448.816 where: short stacking energy: -640.676 Base-Backbone interact. energy: -0.660 local terms energy: -719.769600 where: bonds (distance) C4'-P energy: -145.708 bonds (distance) P-C4' energy: -146.865 flat angles C4'-P-C4' energy: -148.267 flat angles P-C4'-P energy: -114.207 tors. eta vs tors. theta energy: -164.723 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: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2118.600982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.600982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.600982 (E_RNA) where: Base-Base interactions energy: -1396.179 where: short stacking energy: -612.730 Base-Backbone interact. energy: -3.266 local terms energy: -719.155941 where: bonds (distance) C4'-P energy: -144.508 bonds (distance) P-C4' energy: -140.467 flat angles C4'-P-C4' energy: -154.623 flat angles P-C4'-P energy: -99.581 tors. eta vs tors. theta energy: -179.978 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: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1505.651754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.651754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.651754 (E_RNA) where: Base-Base interactions energy: -885.644 where: short stacking energy: -412.576 Base-Backbone interact. energy: -4.451 local terms energy: -615.557260 where: bonds (distance) C4'-P energy: -162.736 bonds (distance) P-C4' energy: -145.295 flat angles C4'-P-C4' energy: -143.243 flat angles P-C4'-P energy: -82.785 tors. eta vs tors. theta energy: -81.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1414.222032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.222032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.222032 (E_RNA) where: Base-Base interactions energy: -863.273 where: short stacking energy: -406.432 Base-Backbone interact. energy: 4.964 local terms energy: -555.913001 where: bonds (distance) C4'-P energy: -129.267 bonds (distance) P-C4' energy: -127.156 flat angles C4'-P-C4' energy: -149.878 flat angles P-C4'-P energy: -90.102 tors. eta vs tors. theta energy: -59.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1151.916779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.916779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.916779 (E_RNA) where: Base-Base interactions energy: -634.211 where: short stacking energy: -327.535 Base-Backbone interact. energy: -0.954 local terms energy: -516.752045 where: bonds (distance) C4'-P energy: -131.954 bonds (distance) P-C4' energy: -148.696 flat angles C4'-P-C4' energy: -147.359 flat angles P-C4'-P energy: -77.588 tors. eta vs tors. theta energy: -11.156 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: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -927.415966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.415966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.415966 (E_RNA) where: Base-Base interactions energy: -475.517 where: short stacking energy: -232.862 Base-Backbone interact. energy: -1.119 local terms energy: -450.780196 where: bonds (distance) C4'-P energy: -131.334 bonds (distance) P-C4' energy: -139.907 flat angles C4'-P-C4' energy: -117.547 flat angles P-C4'-P energy: -68.061 tors. eta vs tors. theta energy: 6.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2862.902356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.902356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.902356 (E_RNA) where: Base-Base interactions energy: -1953.115 where: short stacking energy: -816.349 Base-Backbone interact. energy: -4.033 local terms energy: -905.754159 where: bonds (distance) C4'-P energy: -154.223 bonds (distance) P-C4' energy: -176.101 flat angles C4'-P-C4' energy: -196.630 flat angles P-C4'-P energy: -143.574 tors. eta vs tors. theta energy: -235.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2725.521823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.521823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.521823 (E_RNA) where: Base-Base interactions energy: -1852.257 where: short stacking energy: -778.355 Base-Backbone interact. energy: -4.938 local terms energy: -868.327689 where: bonds (distance) C4'-P energy: -157.683 bonds (distance) P-C4' energy: -139.993 flat angles C4'-P-C4' energy: -196.347 flat angles P-C4'-P energy: -128.258 tors. eta vs tors. theta energy: -246.046 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: 7 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2508.805095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.805095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.805095 (E_RNA) where: Base-Base interactions energy: -1726.458 where: short stacking energy: -702.254 Base-Backbone interact. energy: -3.640 local terms energy: -778.707099 where: bonds (distance) C4'-P energy: -156.568 bonds (distance) P-C4' energy: -147.717 flat angles C4'-P-C4' energy: -172.853 flat angles P-C4'-P energy: -113.179 tors. eta vs tors. theta energy: -188.391 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: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2291.075059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.075059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.075059 (E_RNA) where: Base-Base interactions energy: -1544.745 where: short stacking energy: -659.696 Base-Backbone interact. energy: -5.156 local terms energy: -741.174107 where: bonds (distance) C4'-P energy: -140.420 bonds (distance) P-C4' energy: -163.237 flat angles C4'-P-C4' energy: -170.652 flat angles P-C4'-P energy: -100.529 tors. eta vs tors. theta energy: -166.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2156.359202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.359202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.359202 (E_RNA) where: Base-Base interactions energy: -1405.422 where: short stacking energy: -624.340 Base-Backbone interact. energy: -2.909 local terms energy: -748.028076 where: bonds (distance) C4'-P energy: -153.276 bonds (distance) P-C4' energy: -153.208 flat angles C4'-P-C4' energy: -162.625 flat angles P-C4'-P energy: -95.762 tors. eta vs tors. theta energy: -183.156 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: 104 Temperature: 1.150000 Total energy: -2092.997301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.997301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.997301 (E_RNA) where: Base-Base interactions energy: -1369.810 where: short stacking energy: -574.683 Base-Backbone interact. energy: -2.712 local terms energy: -720.475753 where: bonds (distance) C4'-P energy: -153.769 bonds (distance) P-C4' energy: -158.404 flat angles C4'-P-C4' energy: -162.807 flat angles P-C4'-P energy: -82.181 tors. eta vs tors. theta energy: -163.314 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: 5 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1541.562065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.562065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.562065 (E_RNA) where: Base-Base interactions energy: -925.100 where: short stacking energy: -458.196 Base-Backbone interact. energy: -3.475 local terms energy: -612.987259 where: bonds (distance) C4'-P energy: -122.544 bonds (distance) P-C4' energy: -154.819 flat angles C4'-P-C4' energy: -158.892 flat angles P-C4'-P energy: -88.147 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: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1419.770923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.770923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.770923 (E_RNA) where: Base-Base interactions energy: -863.905 where: short stacking energy: -410.636 Base-Backbone interact. energy: 1.869 local terms energy: -557.735178 where: bonds (distance) C4'-P energy: -138.191 bonds (distance) P-C4' energy: -155.803 flat angles C4'-P-C4' energy: -116.727 flat angles P-C4'-P energy: -76.384 tors. eta vs tors. theta energy: -70.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1041.479285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.479285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.479285 (E_RNA) where: Base-Base interactions energy: -546.155 where: short stacking energy: -268.333 Base-Backbone interact. energy: -0.079 local terms energy: -495.245680 where: bonds (distance) C4'-P energy: -131.716 bonds (distance) P-C4' energy: -157.950 flat angles C4'-P-C4' energy: -124.483 flat angles P-C4'-P energy: -74.691 tors. eta vs tors. theta energy: -6.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -924.522033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.522033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.522033 (E_RNA) where: Base-Base interactions energy: -483.238 where: short stacking energy: -248.176 Base-Backbone interact. energy: 2.224 local terms energy: -443.507861 where: bonds (distance) C4'-P energy: -131.694 bonds (distance) P-C4' energy: -166.663 flat angles C4'-P-C4' energy: -108.245 flat angles P-C4'-P energy: -57.469 tors. eta vs tors. theta energy: 20.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2814.612768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.612768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.612768 (E_RNA) where: Base-Base interactions energy: -1934.073 where: short stacking energy: -799.797 Base-Backbone interact. energy: -2.876 local terms energy: -877.663715 where: bonds (distance) C4'-P energy: -168.674 bonds (distance) P-C4' energy: -155.345 flat angles C4'-P-C4' energy: -186.007 flat angles P-C4'-P energy: -120.908 tors. eta vs tors. theta energy: -246.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2722.697779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.697779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.697779 (E_RNA) where: Base-Base interactions energy: -1836.772 where: short stacking energy: -786.068 Base-Backbone interact. energy: -4.120 local terms energy: -881.805725 where: bonds (distance) C4'-P energy: -155.534 bonds (distance) P-C4' energy: -167.814 flat angles C4'-P-C4' energy: -198.640 flat angles P-C4'-P energy: -114.848 tors. eta vs tors. theta energy: -244.971 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: 7 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2472.734561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.734561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.734561 (E_RNA) where: Base-Base interactions energy: -1704.592 where: short stacking energy: -692.768 Base-Backbone interact. energy: -4.951 local terms energy: -763.192257 where: bonds (distance) C4'-P energy: -162.535 bonds (distance) P-C4' energy: -151.070 flat angles C4'-P-C4' energy: -156.576 flat angles P-C4'-P energy: -95.547 tors. eta vs tors. theta energy: -197.464 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: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2347.805128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.805128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.805128 (E_RNA) where: Base-Base interactions energy: -1558.421 where: short stacking energy: -668.977 Base-Backbone interact. energy: 2.088 local terms energy: -791.472013 where: bonds (distance) C4'-P energy: -171.704 bonds (distance) P-C4' energy: -143.757 flat angles C4'-P-C4' energy: -166.804 flat angles P-C4'-P energy: -117.385 tors. eta vs tors. theta energy: -191.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2083.326418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.326418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.326418 (E_RNA) where: Base-Base interactions energy: -1399.722 where: short stacking energy: -600.466 Base-Backbone interact. energy: -4.761 local terms energy: -678.843483 where: bonds (distance) C4'-P energy: -129.757 bonds (distance) P-C4' energy: -152.020 flat angles C4'-P-C4' energy: -155.688 flat angles P-C4'-P energy: -99.962 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: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2097.784113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.784113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.784113 (E_RNA) where: Base-Base interactions energy: -1402.420 where: short stacking energy: -613.575 Base-Backbone interact. energy: 0.112 local terms energy: -695.475662 where: bonds (distance) C4'-P energy: -127.061 bonds (distance) P-C4' energy: -150.697 flat angles C4'-P-C4' energy: -153.421 flat angles P-C4'-P energy: -99.312 tors. eta vs tors. theta energy: -164.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1494.892463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.892463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.892463 (E_RNA) where: Base-Base interactions energy: -874.395 where: short stacking energy: -422.793 Base-Backbone interact. energy: 0.156 local terms energy: -620.653511 where: bonds (distance) C4'-P energy: -141.294 bonds (distance) P-C4' energy: -140.871 flat angles C4'-P-C4' energy: -159.605 flat angles P-C4'-P energy: -97.522 tors. eta vs tors. theta energy: -81.361 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: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1441.108293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.108293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.108293 (E_RNA) where: Base-Base interactions energy: -869.688 where: short stacking energy: -402.249 Base-Backbone interact. energy: -2.847 local terms energy: -568.573017 where: bonds (distance) C4'-P energy: -129.277 bonds (distance) P-C4' energy: -149.566 flat angles C4'-P-C4' energy: -127.815 flat angles P-C4'-P energy: -80.387 tors. eta vs tors. theta energy: -81.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1147.898994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.898994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.898994 (E_RNA) where: Base-Base interactions energy: -648.249 where: short stacking energy: -328.170 Base-Backbone interact. energy: 5.141 local terms energy: -504.790446 where: bonds (distance) C4'-P energy: -130.078 bonds (distance) P-C4' energy: -134.351 flat angles C4'-P-C4' energy: -144.512 flat angles P-C4'-P energy: -76.115 tors. eta vs tors. theta energy: -19.734 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: 105 Temperature: 1.350000 Total energy: -1004.373058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.373058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.373058 (E_RNA) where: Base-Base interactions energy: -549.191 where: short stacking energy: -288.345 Base-Backbone interact. energy: 6.564 local terms energy: -461.746242 where: bonds (distance) C4'-P energy: -119.259 bonds (distance) P-C4' energy: -141.890 flat angles C4'-P-C4' energy: -115.404 flat angles P-C4'-P energy: -68.092 tors. eta vs tors. theta energy: -17.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2856.560554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.560554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.560554 (E_RNA) where: Base-Base interactions energy: -1946.999 where: short stacking energy: -813.482 Base-Backbone interact. energy: -6.325 local terms energy: -903.236641 where: bonds (distance) C4'-P energy: -187.228 bonds (distance) P-C4' energy: -147.919 flat angles C4'-P-C4' energy: -203.147 flat angles P-C4'-P energy: -120.144 tors. eta vs tors. theta energy: -244.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2733.216082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.216082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.216082 (E_RNA) where: Base-Base interactions energy: -1851.757 where: short stacking energy: -792.073 Base-Backbone interact. energy: -2.074 local terms energy: -879.384675 where: bonds (distance) C4'-P energy: -171.921 bonds (distance) P-C4' energy: -160.145 flat angles C4'-P-C4' energy: -190.119 flat angles P-C4'-P energy: -118.690 tors. eta vs tors. theta energy: -238.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2421.302694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.302694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.302694 (E_RNA) where: Base-Base interactions energy: -1652.621 where: short stacking energy: -666.047 Base-Backbone interact. energy: -2.428 local terms energy: -766.253709 where: bonds (distance) C4'-P energy: -140.257 bonds (distance) P-C4' energy: -164.707 flat angles C4'-P-C4' energy: -173.010 flat angles P-C4'-P energy: -108.873 tors. eta vs tors. theta energy: -179.407 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: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2346.925781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.925781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.925781 (E_RNA) where: Base-Base interactions energy: -1594.971 where: short stacking energy: -690.430 Base-Backbone interact. energy: -3.340 local terms energy: -748.615420 where: bonds (distance) C4'-P energy: -131.208 bonds (distance) P-C4' energy: -155.839 flat angles C4'-P-C4' energy: -161.949 flat angles P-C4'-P energy: -105.018 tors. eta vs tors. theta energy: -194.601 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: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2248.722967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.722967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.722967 (E_RNA) where: Base-Base interactions energy: -1503.866 where: short stacking energy: -634.022 Base-Backbone interact. energy: -2.610 local terms energy: -742.247338 where: bonds (distance) C4'-P energy: -140.864 bonds (distance) P-C4' energy: -158.763 flat angles C4'-P-C4' energy: -174.098 flat angles P-C4'-P energy: -102.725 tors. eta vs tors. theta energy: -165.798 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: 6, replica: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2048.601090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.601090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.601090 (E_RNA) where: Base-Base interactions energy: -1359.618 where: short stacking energy: -593.111 Base-Backbone interact. energy: -4.801 local terms energy: -684.182539 where: bonds (distance) C4'-P energy: -150.497 bonds (distance) P-C4' energy: -153.492 flat angles C4'-P-C4' energy: -157.540 flat angles P-C4'-P energy: -91.545 tors. eta vs tors. theta energy: -131.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1554.705102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.705102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.705102 (E_RNA) where: Base-Base interactions energy: -963.671 where: short stacking energy: -444.065 Base-Backbone interact. energy: -0.314 local terms energy: -590.719478 where: bonds (distance) C4'-P energy: -135.195 bonds (distance) P-C4' energy: -154.089 flat angles C4'-P-C4' energy: -138.792 flat angles P-C4'-P energy: -83.306 tors. eta vs tors. theta energy: -79.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1340.973653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.973653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.973653 (E_RNA) where: Base-Base interactions energy: -761.556 where: short stacking energy: -361.259 Base-Backbone interact. energy: -0.948 local terms energy: -578.470013 where: bonds (distance) C4'-P energy: -123.114 bonds (distance) P-C4' energy: -151.537 flat angles C4'-P-C4' energy: -144.012 flat angles P-C4'-P energy: -97.062 tors. eta vs tors. theta energy: -62.745 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: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1158.853017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.853017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.853017 (E_RNA) where: Base-Base interactions energy: -610.769 where: short stacking energy: -294.454 Base-Backbone interact. energy: 2.614 local terms energy: -550.698409 where: bonds (distance) C4'-P energy: -152.192 bonds (distance) P-C4' energy: -138.067 flat angles C4'-P-C4' energy: -140.184 flat angles P-C4'-P energy: -90.441 tors. eta vs tors. theta energy: -29.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -949.393469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.393469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.393469 (E_RNA) where: Base-Base interactions energy: -501.747 where: short stacking energy: -259.627 Base-Backbone interact. energy: -0.311 local terms energy: -447.335451 where: bonds (distance) C4'-P energy: -105.747 bonds (distance) P-C4' energy: -132.495 flat angles C4'-P-C4' energy: -124.048 flat angles P-C4'-P energy: -77.561 tors. eta vs tors. theta energy: -7.485 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: 1, replica: 1 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2815.814764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.814764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.814764 (E_RNA) where: Base-Base interactions energy: -1920.503 where: short stacking energy: -775.595 Base-Backbone interact. energy: -5.072 local terms energy: -890.240374 where: bonds (distance) C4'-P energy: -161.586 bonds (distance) P-C4' energy: -170.313 flat angles C4'-P-C4' energy: -195.690 flat angles P-C4'-P energy: -124.725 tors. eta vs tors. theta energy: -237.926 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: 9 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2698.709312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.709312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.709312 (E_RNA) where: Base-Base interactions energy: -1877.187 where: short stacking energy: -778.191 Base-Backbone interact. energy: -4.535 local terms energy: -816.987173 where: bonds (distance) C4'-P energy: -163.600 bonds (distance) P-C4' energy: -154.080 flat angles C4'-P-C4' energy: -175.617 flat angles P-C4'-P energy: -88.457 tors. eta vs tors. theta energy: -235.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2492.201646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.201646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.201646 (E_RNA) where: Base-Base interactions energy: -1717.040 where: short stacking energy: -701.308 Base-Backbone interact. energy: -0.937 local terms energy: -774.225177 where: bonds (distance) C4'-P energy: -154.433 bonds (distance) P-C4' energy: -154.856 flat angles C4'-P-C4' energy: -168.420 flat angles P-C4'-P energy: -104.306 tors. eta vs tors. theta energy: -192.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2333.182061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.182061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.182061 (E_RNA) where: Base-Base interactions energy: -1561.127 where: short stacking energy: -664.108 Base-Backbone interact. energy: -1.748 local terms energy: -770.306954 where: bonds (distance) C4'-P energy: -143.340 bonds (distance) P-C4' energy: -164.867 flat angles C4'-P-C4' energy: -168.765 flat angles P-C4'-P energy: -99.562 tors. eta vs tors. theta energy: -193.772 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: 107 Temperature: 1.100000 Total energy: -2241.908689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.908689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.908689 (E_RNA) where: Base-Base interactions energy: -1474.925 where: short stacking energy: -671.758 Base-Backbone interact. energy: -4.466 local terms energy: -762.517521 where: bonds (distance) C4'-P energy: -140.844 bonds (distance) P-C4' energy: -147.361 flat angles C4'-P-C4' energy: -171.366 flat angles P-C4'-P energy: -118.557 tors. eta vs tors. theta energy: -184.390 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: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1994.856967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.856967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.856967 (E_RNA) where: Base-Base interactions energy: -1334.502 where: short stacking energy: -573.326 Base-Backbone interact. energy: -4.759 local terms energy: -655.595987 where: bonds (distance) C4'-P energy: -120.267 bonds (distance) P-C4' energy: -137.977 flat angles C4'-P-C4' energy: -168.125 flat angles P-C4'-P energy: -90.885 tors. eta vs tors. theta energy: -138.342 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: 107 Temperature: 1.200000 Total energy: -1526.303934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.303934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.303934 (E_RNA) where: Base-Base interactions energy: -925.254 where: short stacking energy: -422.281 Base-Backbone interact. energy: -2.421 local terms energy: -598.628735 where: bonds (distance) C4'-P energy: -120.911 bonds (distance) P-C4' energy: -160.452 flat angles C4'-P-C4' energy: -155.384 flat angles P-C4'-P energy: -89.507 tors. eta vs tors. theta energy: -72.375 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: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1322.037331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.037331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.037331 (E_RNA) where: Base-Base interactions energy: -767.955 where: short stacking energy: -353.928 Base-Backbone interact. energy: -3.361 local terms energy: -550.722151 where: bonds (distance) C4'-P energy: -122.892 bonds (distance) P-C4' energy: -137.621 flat angles C4'-P-C4' energy: -133.325 flat angles P-C4'-P energy: -88.936 tors. eta vs tors. theta energy: -67.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1118.274440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.274440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.274440 (E_RNA) where: Base-Base interactions energy: -611.966 where: short stacking energy: -338.339 Base-Backbone interact. energy: 4.668 local terms energy: -510.975927 where: bonds (distance) C4'-P energy: -140.524 bonds (distance) P-C4' energy: -119.320 flat angles C4'-P-C4' energy: -126.816 flat angles P-C4'-P energy: -76.955 tors. eta vs tors. theta energy: -47.360 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: 107 Temperature: 1.350000 Total energy: -932.903159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.903159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.903159 (E_RNA) where: Base-Base interactions energy: -476.304 where: short stacking energy: -274.887 Base-Backbone interact. energy: -1.261 local terms energy: -455.338128 where: bonds (distance) C4'-P energy: -125.395 bonds (distance) P-C4' energy: -121.449 flat angles C4'-P-C4' energy: -109.920 flat angles P-C4'-P energy: -81.530 tors. eta vs tors. theta energy: -17.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2833.667009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.667009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.667009 (E_RNA) where: Base-Base interactions energy: -1933.795 where: short stacking energy: -793.430 Base-Backbone interact. energy: 1.700 local terms energy: -901.572269 where: bonds (distance) C4'-P energy: -170.251 bonds (distance) P-C4' energy: -181.522 flat angles C4'-P-C4' energy: -185.385 flat angles P-C4'-P energy: -123.169 tors. eta vs tors. theta energy: -241.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2677.587849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.587849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.587849 (E_RNA) where: Base-Base interactions energy: -1818.677 where: short stacking energy: -787.388 Base-Backbone interact. energy: -7.698 local terms energy: -851.212784 where: bonds (distance) C4'-P energy: -168.217 bonds (distance) P-C4' energy: -164.821 flat angles C4'-P-C4' energy: -188.654 flat angles P-C4'-P energy: -97.244 tors. eta vs tors. theta energy: -232.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2520.931513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.931513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.931513 (E_RNA) where: Base-Base interactions energy: -1712.250 where: short stacking energy: -701.743 Base-Backbone interact. energy: -5.248 local terms energy: -803.433601 where: bonds (distance) C4'-P energy: -174.795 bonds (distance) P-C4' energy: -147.905 flat angles C4'-P-C4' energy: -166.650 flat angles P-C4'-P energy: -108.638 tors. eta vs tors. theta energy: -205.445 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: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2319.910614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.910614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.910614 (E_RNA) where: Base-Base interactions energy: -1545.623 where: short stacking energy: -649.980 Base-Backbone interact. energy: 3.777 local terms energy: -778.064919 where: bonds (distance) C4'-P energy: -163.410 bonds (distance) P-C4' energy: -172.107 flat angles C4'-P-C4' energy: -169.147 flat angles P-C4'-P energy: -102.404 tors. eta vs tors. theta energy: -170.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2220.975385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.975385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.975385 (E_RNA) where: Base-Base interactions energy: -1466.631 where: short stacking energy: -638.894 Base-Backbone interact. energy: 2.217 local terms energy: -756.561174 where: bonds (distance) C4'-P energy: -126.674 bonds (distance) P-C4' energy: -146.685 flat angles C4'-P-C4' energy: -187.216 flat angles P-C4'-P energy: -104.744 tors. eta vs tors. theta energy: -191.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2065.868227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.868227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.868227 (E_RNA) where: Base-Base interactions energy: -1342.266 where: short stacking energy: -586.029 Base-Backbone interact. energy: -3.050 local terms energy: -720.552608 where: bonds (distance) C4'-P energy: -136.079 bonds (distance) P-C4' energy: -152.144 flat angles C4'-P-C4' energy: -167.033 flat angles P-C4'-P energy: -105.795 tors. eta vs tors. theta energy: -159.501 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: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1564.670798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.670798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.670798 (E_RNA) where: Base-Base interactions energy: -938.727 where: short stacking energy: -448.145 Base-Backbone interact. energy: -4.325 local terms energy: -621.618456 where: bonds (distance) C4'-P energy: -137.873 bonds (distance) P-C4' energy: -144.356 flat angles C4'-P-C4' energy: -154.930 flat angles P-C4'-P energy: -94.320 tors. eta vs tors. theta energy: -90.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1336.165841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.165841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.165841 (E_RNA) where: Base-Base interactions energy: -792.251 where: short stacking energy: -375.123 Base-Backbone interact. energy: 0.331 local terms energy: -544.245345 where: bonds (distance) C4'-P energy: -126.023 bonds (distance) P-C4' energy: -146.214 flat angles C4'-P-C4' energy: -151.782 flat angles P-C4'-P energy: -69.551 tors. eta vs tors. theta energy: -50.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1091.057517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.057517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.057517 (E_RNA) where: Base-Base interactions energy: -611.240 where: short stacking energy: -308.999 Base-Backbone interact. energy: -6.412 local terms energy: -473.405385 where: bonds (distance) C4'-P energy: -110.606 bonds (distance) P-C4' energy: -145.556 flat angles C4'-P-C4' energy: -127.322 flat angles P-C4'-P energy: -69.076 tors. eta vs tors. theta energy: -20.845 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: 108 Temperature: 1.350000 Total energy: -928.435548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.435548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.435548 (E_RNA) where: Base-Base interactions energy: -443.218 where: short stacking energy: -238.371 Base-Backbone interact. energy: -0.758 local terms energy: -484.460015 where: bonds (distance) C4'-P energy: -152.398 bonds (distance) P-C4' energy: -139.836 flat angles C4'-P-C4' energy: -109.025 flat angles P-C4'-P energy: -76.855 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2839.452072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.452072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.452072 (E_RNA) where: Base-Base interactions energy: -1951.089 where: short stacking energy: -812.104 Base-Backbone interact. energy: -4.331 local terms energy: -884.031812 where: bonds (distance) C4'-P energy: -165.697 bonds (distance) P-C4' energy: -167.885 flat angles C4'-P-C4' energy: -196.497 flat angles P-C4'-P energy: -119.302 tors. eta vs tors. theta energy: -234.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2694.115900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.115900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.115900 (E_RNA) where: Base-Base interactions energy: -1841.998 where: short stacking energy: -821.766 Base-Backbone interact. energy: -0.661 local terms energy: -851.456741 where: bonds (distance) C4'-P energy: -142.371 bonds (distance) P-C4' energy: -166.622 flat angles C4'-P-C4' energy: -189.186 flat angles P-C4'-P energy: -105.956 tors. eta vs tors. theta energy: -247.322 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: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2526.201456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.201456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.201456 (E_RNA) where: Base-Base interactions energy: -1746.360 where: short stacking energy: -703.569 Base-Backbone interact. energy: -2.170 local terms energy: -777.671380 where: bonds (distance) C4'-P energy: -131.094 bonds (distance) P-C4' energy: -163.198 flat angles C4'-P-C4' energy: -177.638 flat angles P-C4'-P energy: -112.079 tors. eta vs tors. theta energy: -193.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2312.306887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.306887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.306887 (E_RNA) where: Base-Base interactions energy: -1524.197 where: short stacking energy: -656.948 Base-Backbone interact. energy: -3.480 local terms energy: -784.629327 where: bonds (distance) C4'-P energy: -166.062 bonds (distance) P-C4' energy: -149.251 flat angles C4'-P-C4' energy: -179.528 flat angles P-C4'-P energy: -116.396 tors. eta vs tors. theta energy: -173.393 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: 109 Temperature: 1.100000 Total energy: -2201.953102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.953102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.953102 (E_RNA) where: Base-Base interactions energy: -1486.297 where: short stacking energy: -631.697 Base-Backbone interact. energy: -3.259 local terms energy: -712.396928 where: bonds (distance) C4'-P energy: -127.549 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -160.248 flat angles P-C4'-P energy: -110.688 tors. eta vs tors. theta energy: -156.520 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: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2110.680653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.680653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.680653 (E_RNA) where: Base-Base interactions energy: -1448.917 where: short stacking energy: -627.304 Base-Backbone interact. energy: -0.737 local terms energy: -661.026969 where: bonds (distance) C4'-P energy: -127.158 bonds (distance) P-C4' energy: -166.883 flat angles C4'-P-C4' energy: -139.072 flat angles P-C4'-P energy: -79.786 tors. eta vs tors. theta energy: -148.128 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: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1594.581168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.581168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.581168 (E_RNA) where: Base-Base interactions energy: -1005.048 where: short stacking energy: -466.481 Base-Backbone interact. energy: 2.486 local terms energy: -592.019319 where: bonds (distance) C4'-P energy: -111.625 bonds (distance) P-C4' energy: -155.227 flat angles C4'-P-C4' energy: -139.232 flat angles P-C4'-P energy: -91.414 tors. eta vs tors. theta energy: -94.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1306.147386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.147386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.147386 (E_RNA) where: Base-Base interactions energy: -791.263 where: short stacking energy: -363.331 Base-Backbone interact. energy: 2.499 local terms energy: -517.382944 where: bonds (distance) C4'-P energy: -131.917 bonds (distance) P-C4' energy: -138.407 flat angles C4'-P-C4' energy: -124.772 flat angles P-C4'-P energy: -75.401 tors. eta vs tors. theta energy: -46.886 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: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1120.034016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.034016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.034016 (E_RNA) where: Base-Base interactions energy: -594.575 where: short stacking energy: -280.519 Base-Backbone interact. energy: -1.024 local terms energy: -524.435162 where: bonds (distance) C4'-P energy: -130.438 bonds (distance) P-C4' energy: -147.688 flat angles C4'-P-C4' energy: -138.053 flat angles P-C4'-P energy: -80.453 tors. eta vs tors. theta energy: -27.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -899.650513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.650513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.650513 (E_RNA) where: Base-Base interactions energy: -445.966 where: short stacking energy: -226.374 Base-Backbone interact. energy: -1.440 local terms energy: -452.244624 where: bonds (distance) C4'-P energy: -128.782 bonds (distance) P-C4' energy: -155.116 flat angles C4'-P-C4' energy: -123.697 flat angles P-C4'-P energy: -75.301 tors. eta vs tors. theta energy: 30.651 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: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2812.537646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.537646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.537646 (E_RNA) where: Base-Base interactions energy: -1914.857 where: short stacking energy: -844.668 Base-Backbone interact. energy: -5.093 local terms energy: -892.587441 where: bonds (distance) C4'-P energy: -171.385 bonds (distance) P-C4' energy: -169.270 flat angles C4'-P-C4' energy: -189.764 flat angles P-C4'-P energy: -123.752 tors. eta vs tors. theta energy: -238.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2699.786938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.786938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.786938 (E_RNA) where: Base-Base interactions energy: -1822.689 where: short stacking energy: -782.766 Base-Backbone interact. energy: -3.005 local terms energy: -874.092900 where: bonds (distance) C4'-P energy: -162.443 bonds (distance) P-C4' energy: -154.355 flat angles C4'-P-C4' energy: -177.036 flat angles P-C4'-P energy: -138.548 tors. eta vs tors. theta energy: -241.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2516.550526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.550526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.550526 (E_RNA) where: Base-Base interactions energy: -1733.956 where: short stacking energy: -681.629 Base-Backbone interact. energy: 0.090 local terms energy: -782.684453 where: bonds (distance) C4'-P energy: -169.014 bonds (distance) P-C4' energy: -158.684 flat angles C4'-P-C4' energy: -167.797 flat angles P-C4'-P energy: -99.630 tors. eta vs tors. theta energy: -187.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2387.614120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.614120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.614120 (E_RNA) where: Base-Base interactions energy: -1602.086 where: short stacking energy: -684.105 Base-Backbone interact. energy: 3.927 local terms energy: -789.455212 where: bonds (distance) C4'-P energy: -149.255 bonds (distance) P-C4' energy: -159.415 flat angles C4'-P-C4' energy: -176.812 flat angles P-C4'-P energy: -98.429 tors. eta vs tors. theta energy: -205.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2200.770605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.770605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.770605 (E_RNA) where: Base-Base interactions energy: -1480.693 where: short stacking energy: -611.332 Base-Backbone interact. energy: 3.493 local terms energy: -723.570895 where: bonds (distance) C4'-P energy: -145.137 bonds (distance) P-C4' energy: -144.679 flat angles C4'-P-C4' energy: -157.537 flat angles P-C4'-P energy: -120.383 tors. eta vs tors. theta energy: -155.835 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: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2085.900947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.900947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.900947 (E_RNA) where: Base-Base interactions energy: -1409.673 where: short stacking energy: -602.639 Base-Backbone interact. energy: 5.624 local terms energy: -681.851016 where: bonds (distance) C4'-P energy: -142.544 bonds (distance) P-C4' energy: -136.685 flat angles C4'-P-C4' energy: -145.884 flat angles P-C4'-P energy: -104.224 tors. eta vs tors. theta energy: -152.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1596.434918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.434918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.434918 (E_RNA) where: Base-Base interactions energy: -960.462 where: short stacking energy: -440.042 Base-Backbone interact. energy: 6.240 local terms energy: -642.212051 where: bonds (distance) C4'-P energy: -138.320 bonds (distance) P-C4' energy: -162.228 flat angles C4'-P-C4' energy: -151.698 flat angles P-C4'-P energy: -79.831 tors. eta vs tors. theta energy: -110.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1421.966133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.966133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.966133 (E_RNA) where: Base-Base interactions energy: -824.538 where: short stacking energy: -394.527 Base-Backbone interact. energy: -0.146 local terms energy: -597.282825 where: bonds (distance) C4'-P energy: -133.941 bonds (distance) P-C4' energy: -165.492 flat angles C4'-P-C4' energy: -150.480 flat angles P-C4'-P energy: -74.971 tors. eta vs tors. theta energy: -72.399 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: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1097.073033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.073033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.073033 (E_RNA) where: Base-Base interactions energy: -604.979 where: short stacking energy: -308.664 Base-Backbone interact. energy: 0.803 local terms energy: -492.897528 where: bonds (distance) C4'-P energy: -130.319 bonds (distance) P-C4' energy: -138.286 flat angles C4'-P-C4' energy: -137.215 flat angles P-C4'-P energy: -70.952 tors. eta vs tors. theta energy: -16.126 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: 110 Temperature: 1.350000 Total energy: -922.994304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.994304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.994304 (E_RNA) where: Base-Base interactions energy: -478.053 where: short stacking energy: -286.650 Base-Backbone interact. energy: -1.060 local terms energy: -443.881020 where: bonds (distance) C4'-P energy: -91.520 bonds (distance) P-C4' energy: -143.146 flat angles C4'-P-C4' energy: -122.300 flat angles P-C4'-P energy: -62.120 tors. eta vs tors. theta energy: -24.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2804.608274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.608274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.608274 (E_RNA) where: Base-Base interactions energy: -1946.211 where: short stacking energy: -809.231 Base-Backbone interact. energy: -6.378 local terms energy: -852.018972 where: bonds (distance) C4'-P energy: -150.172 bonds (distance) P-C4' energy: -163.636 flat angles C4'-P-C4' energy: -174.323 flat angles P-C4'-P energy: -120.475 tors. eta vs tors. theta energy: -243.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2710.496737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.496737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.496737 (E_RNA) where: Base-Base interactions energy: -1866.203 where: short stacking energy: -803.660 Base-Backbone interact. energy: -1.169 local terms energy: -843.124751 where: bonds (distance) C4'-P energy: -151.289 bonds (distance) P-C4' energy: -155.645 flat angles C4'-P-C4' energy: -188.560 flat angles P-C4'-P energy: -114.268 tors. eta vs tors. theta energy: -233.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2538.477886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.477886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.477886 (E_RNA) where: Base-Base interactions energy: -1724.743 where: short stacking energy: -718.229 Base-Backbone interact. energy: -5.731 local terms energy: -808.003900 where: bonds (distance) C4'-P energy: -161.245 bonds (distance) P-C4' energy: -149.767 flat angles C4'-P-C4' energy: -195.701 flat angles P-C4'-P energy: -109.534 tors. eta vs tors. theta energy: -191.757 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: 4, replica: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2391.778179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.778179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.778179 (E_RNA) where: Base-Base interactions energy: -1604.896 where: short stacking energy: -672.747 Base-Backbone interact. energy: -1.348 local terms energy: -785.533917 where: bonds (distance) C4'-P energy: -147.198 bonds (distance) P-C4' energy: -154.999 flat angles C4'-P-C4' energy: -162.995 flat angles P-C4'-P energy: -111.063 tors. eta vs tors. theta energy: -209.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2185.660144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.660144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.660144 (E_RNA) where: Base-Base interactions energy: -1472.718 where: short stacking energy: -583.123 Base-Backbone interact. energy: -3.867 local terms energy: -709.075809 where: bonds (distance) C4'-P energy: -138.160 bonds (distance) P-C4' energy: -158.841 flat angles C4'-P-C4' energy: -172.333 flat angles P-C4'-P energy: -89.605 tors. eta vs tors. theta energy: -150.137 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: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2089.591317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.591317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.591317 (E_RNA) where: Base-Base interactions energy: -1350.877 where: short stacking energy: -604.800 Base-Backbone interact. energy: -0.837 local terms energy: -737.877050 where: bonds (distance) C4'-P energy: -122.864 bonds (distance) P-C4' energy: -170.200 flat angles C4'-P-C4' energy: -169.465 flat angles P-C4'-P energy: -113.132 tors. eta vs tors. theta energy: -162.216 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: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1639.731497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.731497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.731497 (E_RNA) where: Base-Base interactions energy: -1053.629 where: short stacking energy: -464.046 Base-Backbone interact. energy: 1.372 local terms energy: -587.474981 where: bonds (distance) C4'-P energy: -132.420 bonds (distance) P-C4' energy: -128.663 flat angles C4'-P-C4' energy: -141.991 flat angles P-C4'-P energy: -86.543 tors. eta vs tors. theta energy: -97.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1453.886873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.886873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.886873 (E_RNA) where: Base-Base interactions energy: -926.650 where: short stacking energy: -448.996 Base-Backbone interact. energy: -3.342 local terms energy: -523.894876 where: bonds (distance) C4'-P energy: -114.612 bonds (distance) P-C4' energy: -133.390 flat angles C4'-P-C4' energy: -126.204 flat angles P-C4'-P energy: -69.731 tors. eta vs tors. theta energy: -79.957 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: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1116.276654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.276654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.276654 (E_RNA) where: Base-Base interactions energy: -609.568 where: short stacking energy: -273.906 Base-Backbone interact. energy: 0.144 local terms energy: -506.853254 where: bonds (distance) C4'-P energy: -136.418 bonds (distance) P-C4' energy: -153.515 flat angles C4'-P-C4' energy: -121.293 flat angles P-C4'-P energy: -80.872 tors. eta vs tors. theta energy: -14.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -916.593987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.593987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.593987 (E_RNA) where: Base-Base interactions energy: -516.938 where: short stacking energy: -286.161 Base-Backbone interact. energy: 5.142 local terms energy: -404.798030 where: bonds (distance) C4'-P energy: -124.776 bonds (distance) P-C4' energy: -110.349 flat angles C4'-P-C4' energy: -118.086 flat angles P-C4'-P energy: -53.592 tors. eta vs tors. theta energy: 2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2811.239110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.239110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.239110 (E_RNA) where: Base-Base interactions energy: -1919.812 where: short stacking energy: -807.549 Base-Backbone interact. energy: 3.757 local terms energy: -895.183780 where: bonds (distance) C4'-P energy: -173.124 bonds (distance) P-C4' energy: -168.882 flat angles C4'-P-C4' energy: -195.994 flat angles P-C4'-P energy: -120.928 tors. eta vs tors. theta energy: -236.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2703.151264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.151264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.151264 (E_RNA) where: Base-Base interactions energy: -1814.961 where: short stacking energy: -807.384 Base-Backbone interact. energy: -1.172 local terms energy: -887.018760 where: bonds (distance) C4'-P energy: -166.020 bonds (distance) P-C4' energy: -176.651 flat angles C4'-P-C4' energy: -190.011 flat angles P-C4'-P energy: -122.753 tors. eta vs tors. theta energy: -231.584 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: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2498.750596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.750596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.750596 (E_RNA) where: Base-Base interactions energy: -1688.061 where: short stacking energy: -705.066 Base-Backbone interact. energy: -5.930 local terms energy: -804.759146 where: bonds (distance) C4'-P energy: -152.410 bonds (distance) P-C4' energy: -164.059 flat angles C4'-P-C4' energy: -184.249 flat angles P-C4'-P energy: -113.225 tors. eta vs tors. theta energy: -190.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2356.292504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.292504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.292504 (E_RNA) where: Base-Base interactions energy: -1589.575 where: short stacking energy: -664.695 Base-Backbone interact. energy: -6.020 local terms energy: -760.696671 where: bonds (distance) C4'-P energy: -136.239 bonds (distance) P-C4' energy: -171.735 flat angles C4'-P-C4' energy: -168.054 flat angles P-C4'-P energy: -93.075 tors. eta vs tors. theta energy: -191.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2201.291547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.291547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.291547 (E_RNA) where: Base-Base interactions energy: -1445.345 where: short stacking energy: -672.927 Base-Backbone interact. energy: -3.001 local terms energy: -752.945318 where: bonds (distance) C4'-P energy: -157.058 bonds (distance) P-C4' energy: -155.465 flat angles C4'-P-C4' energy: -167.160 flat angles P-C4'-P energy: -96.536 tors. eta vs tors. theta energy: -176.726 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: 4 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2072.867431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.867431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.867431 (E_RNA) where: Base-Base interactions energy: -1379.262 where: short stacking energy: -571.091 Base-Backbone interact. energy: -4.264 local terms energy: -689.341569 where: bonds (distance) C4'-P energy: -158.247 bonds (distance) P-C4' energy: -152.278 flat angles C4'-P-C4' energy: -158.921 flat angles P-C4'-P energy: -82.710 tors. eta vs tors. theta energy: -137.186 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: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1657.667226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.667226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.667226 (E_RNA) where: Base-Base interactions energy: -1021.058 where: short stacking energy: -443.681 Base-Backbone interact. energy: -0.391 local terms energy: -636.218555 where: bonds (distance) C4'-P energy: -156.534 bonds (distance) P-C4' energy: -140.457 flat angles C4'-P-C4' energy: -156.872 flat angles P-C4'-P energy: -80.562 tors. eta vs tors. theta energy: -101.795 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: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1456.519674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.519674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.519674 (E_RNA) where: Base-Base interactions energy: -865.398 where: short stacking energy: -438.389 Base-Backbone interact. energy: 1.555 local terms energy: -592.676496 where: bonds (distance) C4'-P energy: -141.860 bonds (distance) P-C4' energy: -146.319 flat angles C4'-P-C4' energy: -142.797 flat angles P-C4'-P energy: -71.821 tors. eta vs tors. theta energy: -89.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1130.236217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.236217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.236217 (E_RNA) where: Base-Base interactions energy: -624.525 where: short stacking energy: -331.480 Base-Backbone interact. energy: 6.685 local terms energy: -512.395815 where: bonds (distance) C4'-P energy: -133.086 bonds (distance) P-C4' energy: -127.694 flat angles C4'-P-C4' energy: -136.764 flat angles P-C4'-P energy: -76.954 tors. eta vs tors. theta energy: -37.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -899.854912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.854912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.854912 (E_RNA) where: Base-Base interactions energy: -487.718 where: short stacking energy: -251.500 Base-Backbone interact. energy: 3.684 local terms energy: -415.821035 where: bonds (distance) C4'-P energy: -113.982 bonds (distance) P-C4' energy: -122.346 flat angles C4'-P-C4' energy: -106.334 flat angles P-C4'-P energy: -83.256 tors. eta vs tors. theta energy: 10.096 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: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2840.136313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.136313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.136313 (E_RNA) where: Base-Base interactions energy: -1962.370 where: short stacking energy: -813.367 Base-Backbone interact. energy: -3.830 local terms energy: -873.936527 where: bonds (distance) C4'-P energy: -170.562 bonds (distance) P-C4' energy: -163.680 flat angles C4'-P-C4' energy: -192.359 flat angles P-C4'-P energy: -107.759 tors. eta vs tors. theta energy: -239.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2670.256542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.256542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.256542 (E_RNA) where: Base-Base interactions energy: -1831.162 where: short stacking energy: -786.000 Base-Backbone interact. energy: -3.774 local terms energy: -835.320428 where: bonds (distance) C4'-P energy: -158.630 bonds (distance) P-C4' energy: -157.710 flat angles C4'-P-C4' energy: -179.720 flat angles P-C4'-P energy: -120.475 tors. eta vs tors. theta energy: -218.786 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: 7 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2453.332171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.332171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.332171 (E_RNA) where: Base-Base interactions energy: -1649.246 where: short stacking energy: -690.278 Base-Backbone interact. energy: -5.831 local terms energy: -798.254626 where: bonds (distance) C4'-P energy: -158.758 bonds (distance) P-C4' energy: -164.751 flat angles C4'-P-C4' energy: -174.834 flat angles P-C4'-P energy: -107.755 tors. eta vs tors. theta energy: -192.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2381.584046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.584046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.584046 (E_RNA) where: Base-Base interactions energy: -1590.878 where: short stacking energy: -669.621 Base-Backbone interact. energy: 2.251 local terms energy: -792.957353 where: bonds (distance) C4'-P energy: -159.912 bonds (distance) P-C4' energy: -162.391 flat angles C4'-P-C4' energy: -165.183 flat angles P-C4'-P energy: -111.879 tors. eta vs tors. theta energy: -193.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2182.847089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.847089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.847089 (E_RNA) where: Base-Base interactions energy: -1447.924 where: short stacking energy: -660.199 Base-Backbone interact. energy: -4.486 local terms energy: -730.436954 where: bonds (distance) C4'-P energy: -130.484 bonds (distance) P-C4' energy: -149.281 flat angles C4'-P-C4' energy: -171.023 flat angles P-C4'-P energy: -103.587 tors. eta vs tors. theta energy: -176.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2093.762716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.762716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.762716 (E_RNA) where: Base-Base interactions energy: -1368.758 where: short stacking energy: -562.602 Base-Backbone interact. energy: -2.813 local terms energy: -722.191782 where: bonds (distance) C4'-P energy: -151.120 bonds (distance) P-C4' energy: -160.490 flat angles C4'-P-C4' energy: -162.140 flat angles P-C4'-P energy: -104.085 tors. eta vs tors. theta energy: -144.357 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: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1709.876755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.876755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.876755 (E_RNA) where: Base-Base interactions energy: -1073.447 where: short stacking energy: -472.434 Base-Backbone interact. energy: -0.084 local terms energy: -636.345581 where: bonds (distance) C4'-P energy: -131.440 bonds (distance) P-C4' energy: -153.275 flat angles C4'-P-C4' energy: -145.873 flat angles P-C4'-P energy: -86.984 tors. eta vs tors. theta energy: -118.774 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: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1400.625342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.625342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.625342 (E_RNA) where: Base-Base interactions energy: -847.270 where: short stacking energy: -400.262 Base-Backbone interact. energy: 1.168 local terms energy: -554.524116 where: bonds (distance) C4'-P energy: -141.048 bonds (distance) P-C4' energy: -149.575 flat angles C4'-P-C4' energy: -113.908 flat angles P-C4'-P energy: -80.091 tors. eta vs tors. theta energy: -69.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1053.533989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.533989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.533989 (E_RNA) where: Base-Base interactions energy: -563.530 where: short stacking energy: -269.420 Base-Backbone interact. energy: 7.282 local terms energy: -497.286299 where: bonds (distance) C4'-P energy: -137.590 bonds (distance) P-C4' energy: -142.724 flat angles C4'-P-C4' energy: -118.102 flat angles P-C4'-P energy: -86.132 tors. eta vs tors. theta energy: -12.740 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: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -911.987397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.987397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.987397 (E_RNA) where: Base-Base interactions energy: -431.412 where: short stacking energy: -261.900 Base-Backbone interact. energy: 0.631 local terms energy: -481.206524 where: bonds (distance) C4'-P energy: -112.805 bonds (distance) P-C4' energy: -147.524 flat angles C4'-P-C4' energy: -117.093 flat angles P-C4'-P energy: -81.507 tors. eta vs tors. theta energy: -22.278 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: 114 Temperature: 0.900000 Total energy: -2838.629035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.629035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.629035 (E_RNA) where: Base-Base interactions energy: -1937.562 where: short stacking energy: -798.236 Base-Backbone interact. energy: -7.454 local terms energy: -893.612678 where: bonds (distance) C4'-P energy: -165.629 bonds (distance) P-C4' energy: -173.063 flat angles C4'-P-C4' energy: -191.608 flat angles P-C4'-P energy: -124.964 tors. eta vs tors. theta energy: -238.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2715.978549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.978549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.978549 (E_RNA) where: Base-Base interactions energy: -1855.941 where: short stacking energy: -796.869 Base-Backbone interact. energy: -4.554 local terms energy: -855.484117 where: bonds (distance) C4'-P energy: -166.434 bonds (distance) P-C4' energy: -164.217 flat angles C4'-P-C4' energy: -178.858 flat angles P-C4'-P energy: -104.629 tors. eta vs tors. theta energy: -241.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2531.947435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.947435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.947435 (E_RNA) where: Base-Base interactions energy: -1731.252 where: short stacking energy: -718.406 Base-Backbone interact. energy: -2.194 local terms energy: -798.501030 where: bonds (distance) C4'-P energy: -146.014 bonds (distance) P-C4' energy: -156.271 flat angles C4'-P-C4' energy: -167.486 flat angles P-C4'-P energy: -128.952 tors. eta vs tors. theta energy: -199.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2339.830413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.830413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.830413 (E_RNA) where: Base-Base interactions energy: -1587.310 where: short stacking energy: -674.337 Base-Backbone interact. energy: -3.706 local terms energy: -748.815040 where: bonds (distance) C4'-P energy: -144.918 bonds (distance) P-C4' energy: -157.036 flat angles C4'-P-C4' energy: -162.814 flat angles P-C4'-P energy: -109.815 tors. eta vs tors. theta energy: -174.232 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: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2178.918705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.918705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.918705 (E_RNA) where: Base-Base interactions energy: -1426.439 where: short stacking energy: -615.484 Base-Backbone interact. energy: -0.404 local terms energy: -752.075734 where: bonds (distance) C4'-P energy: -149.632 bonds (distance) P-C4' energy: -158.971 flat angles C4'-P-C4' energy: -180.874 flat angles P-C4'-P energy: -98.670 tors. eta vs tors. theta energy: -163.929 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: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2016.495961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.495961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.495961 (E_RNA) where: Base-Base interactions energy: -1332.855 where: short stacking energy: -538.279 Base-Backbone interact. energy: 0.001 local terms energy: -683.642312 where: bonds (distance) C4'-P energy: -148.921 bonds (distance) P-C4' energy: -139.727 flat angles C4'-P-C4' energy: -156.346 flat angles P-C4'-P energy: -96.535 tors. eta vs tors. theta energy: -142.113 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: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1724.688319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.688319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.688319 (E_RNA) where: Base-Base interactions energy: -1107.783 where: short stacking energy: -506.738 Base-Backbone interact. energy: 5.505 local terms energy: -622.409912 where: bonds (distance) C4'-P energy: -142.121 bonds (distance) P-C4' energy: -129.353 flat angles C4'-P-C4' energy: -149.071 flat angles P-C4'-P energy: -93.908 tors. eta vs tors. theta energy: -107.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1366.628402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.628402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.628402 (E_RNA) where: Base-Base interactions energy: -811.380 where: short stacking energy: -394.267 Base-Backbone interact. energy: -2.244 local terms energy: -553.005020 where: bonds (distance) C4'-P energy: -124.657 bonds (distance) P-C4' energy: -138.241 flat angles C4'-P-C4' energy: -135.310 flat angles P-C4'-P energy: -90.263 tors. eta vs tors. theta energy: -64.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1081.225583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.225583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.225583 (E_RNA) where: Base-Base interactions energy: -579.858 where: short stacking energy: -322.075 Base-Backbone interact. energy: 4.729 local terms energy: -506.096843 where: bonds (distance) C4'-P energy: -140.098 bonds (distance) P-C4' energy: -145.082 flat angles C4'-P-C4' energy: -133.157 flat angles P-C4'-P energy: -76.357 tors. eta vs tors. theta energy: -11.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -856.474183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.474183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.474183 (E_RNA) where: Base-Base interactions energy: -427.552 where: short stacking energy: -233.277 Base-Backbone interact. energy: 0.594 local terms energy: -429.516367 where: bonds (distance) C4'-P energy: -107.008 bonds (distance) P-C4' energy: -129.904 flat angles C4'-P-C4' energy: -128.598 flat angles P-C4'-P energy: -69.100 tors. eta vs tors. theta energy: 5.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2800.086699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.086699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.086699 (E_RNA) where: Base-Base interactions energy: -1935.824 where: short stacking energy: -823.044 Base-Backbone interact. energy: -3.329 local terms energy: -860.933206 where: bonds (distance) C4'-P energy: -171.366 bonds (distance) P-C4' energy: -164.160 flat angles C4'-P-C4' energy: -182.826 flat angles P-C4'-P energy: -107.741 tors. eta vs tors. theta energy: -234.841 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: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2736.819751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.819751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.819751 (E_RNA) where: Base-Base interactions energy: -1887.094 where: short stacking energy: -809.741 Base-Backbone interact. energy: -2.811 local terms energy: -846.914907 where: bonds (distance) C4'-P energy: -151.674 bonds (distance) P-C4' energy: -154.492 flat angles C4'-P-C4' energy: -186.783 flat angles P-C4'-P energy: -115.138 tors. eta vs tors. theta energy: -238.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2496.423578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.423578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.423578 (E_RNA) where: Base-Base interactions energy: -1702.384 where: short stacking energy: -715.507 Base-Backbone interact. energy: -2.368 local terms energy: -791.671950 where: bonds (distance) C4'-P energy: -143.508 bonds (distance) P-C4' energy: -149.299 flat angles C4'-P-C4' energy: -177.832 flat angles P-C4'-P energy: -117.121 tors. eta vs tors. theta energy: -203.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2339.559853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.559853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.559853 (E_RNA) where: Base-Base interactions energy: -1589.292 where: short stacking energy: -678.366 Base-Backbone interact. energy: -3.674 local terms energy: -746.593428 where: bonds (distance) C4'-P energy: -129.343 bonds (distance) P-C4' energy: -150.000 flat angles C4'-P-C4' energy: -175.481 flat angles P-C4'-P energy: -104.539 tors. eta vs tors. theta energy: -187.231 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: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2202.536053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.536053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.536053 (E_RNA) where: Base-Base interactions energy: -1418.223 where: short stacking energy: -643.869 Base-Backbone interact. energy: -3.658 local terms energy: -780.655452 where: bonds (distance) C4'-P energy: -146.071 bonds (distance) P-C4' energy: -153.876 flat angles C4'-P-C4' energy: -177.501 flat angles P-C4'-P energy: -119.530 tors. eta vs tors. theta energy: -183.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2020.977710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.977710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.977710 (E_RNA) where: Base-Base interactions energy: -1352.361 where: short stacking energy: -606.959 Base-Backbone interact. energy: 0.530 local terms energy: -669.146887 where: bonds (distance) C4'-P energy: -118.432 bonds (distance) P-C4' energy: -141.757 flat angles C4'-P-C4' energy: -151.677 flat angles P-C4'-P energy: -90.291 tors. eta vs tors. theta energy: -166.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1682.249208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.249208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.249208 (E_RNA) where: Base-Base interactions energy: -1073.922 where: short stacking energy: -494.420 Base-Backbone interact. energy: -0.337 local terms energy: -607.990230 where: bonds (distance) C4'-P energy: -135.914 bonds (distance) P-C4' energy: -140.963 flat angles C4'-P-C4' energy: -146.127 flat angles P-C4'-P energy: -86.841 tors. eta vs tors. theta energy: -98.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1380.267464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.267464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.267464 (E_RNA) where: Base-Base interactions energy: -843.793 where: short stacking energy: -407.295 Base-Backbone interact. energy: -2.520 local terms energy: -533.954783 where: bonds (distance) C4'-P energy: -112.228 bonds (distance) P-C4' energy: -144.225 flat angles C4'-P-C4' energy: -141.620 flat angles P-C4'-P energy: -61.081 tors. eta vs tors. theta energy: -74.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1088.431760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.431760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.431760 (E_RNA) where: Base-Base interactions energy: -569.959 where: short stacking energy: -275.341 Base-Backbone interact. energy: 2.749 local terms energy: -521.221268 where: bonds (distance) C4'-P energy: -143.853 bonds (distance) P-C4' energy: -171.542 flat angles C4'-P-C4' energy: -140.210 flat angles P-C4'-P energy: -50.104 tors. eta vs tors. theta energy: -15.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -938.633448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.633448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.633448 (E_RNA) where: Base-Base interactions energy: -477.587 where: short stacking energy: -256.587 Base-Backbone interact. energy: -0.285 local terms energy: -460.761432 where: bonds (distance) C4'-P energy: -139.416 bonds (distance) P-C4' energy: -138.081 flat angles C4'-P-C4' energy: -128.802 flat angles P-C4'-P energy: -55.831 tors. eta vs tors. theta energy: 1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2831.143877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.143877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.143877 (E_RNA) where: Base-Base interactions energy: -1935.170 where: short stacking energy: -797.040 Base-Backbone interact. energy: -4.242 local terms energy: -891.731484 where: bonds (distance) C4'-P energy: -169.098 bonds (distance) P-C4' energy: -168.670 flat angles C4'-P-C4' energy: -188.484 flat angles P-C4'-P energy: -121.633 tors. eta vs tors. theta energy: -243.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2736.518948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.518948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.518948 (E_RNA) where: Base-Base interactions energy: -1856.745 where: short stacking energy: -777.012 Base-Backbone interact. energy: -2.997 local terms energy: -876.776931 where: bonds (distance) C4'-P energy: -155.963 bonds (distance) P-C4' energy: -168.980 flat angles C4'-P-C4' energy: -199.594 flat angles P-C4'-P energy: -111.488 tors. eta vs tors. theta energy: -240.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2526.560573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.560573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.560573 (E_RNA) where: Base-Base interactions energy: -1671.007 where: short stacking energy: -705.588 Base-Backbone interact. energy: -5.555 local terms energy: -849.998557 where: bonds (distance) C4'-P energy: -170.854 bonds (distance) P-C4' energy: -156.954 flat angles C4'-P-C4' energy: -180.848 flat angles P-C4'-P energy: -116.756 tors. eta vs tors. theta energy: -224.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2376.997304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.997304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.997304 (E_RNA) where: Base-Base interactions energy: -1592.577 where: short stacking energy: -702.723 Base-Backbone interact. energy: -2.979 local terms energy: -781.441314 where: bonds (distance) C4'-P energy: -136.244 bonds (distance) P-C4' energy: -156.508 flat angles C4'-P-C4' energy: -181.344 flat angles P-C4'-P energy: -111.472 tors. eta vs tors. theta energy: -195.874 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: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2248.481846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.481846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.481846 (E_RNA) where: Base-Base interactions energy: -1477.107 where: short stacking energy: -645.252 Base-Backbone interact. energy: -1.887 local terms energy: -769.488474 where: bonds (distance) C4'-P energy: -154.646 bonds (distance) P-C4' energy: -146.594 flat angles C4'-P-C4' energy: -161.632 flat angles P-C4'-P energy: -116.324 tors. eta vs tors. theta energy: -190.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1941.242208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.242208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.242208 (E_RNA) where: Base-Base interactions energy: -1275.413 where: short stacking energy: -547.803 Base-Backbone interact. energy: -0.758 local terms energy: -665.071502 where: bonds (distance) C4'-P energy: -152.197 bonds (distance) P-C4' energy: -123.052 flat angles C4'-P-C4' energy: -144.177 flat angles P-C4'-P energy: -105.216 tors. eta vs tors. theta energy: -140.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1669.354116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.354116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.354116 (E_RNA) where: Base-Base interactions energy: -1062.842 where: short stacking energy: -472.440 Base-Backbone interact. energy: -3.399 local terms energy: -603.112636 where: bonds (distance) C4'-P energy: -111.213 bonds (distance) P-C4' energy: -142.847 flat angles C4'-P-C4' energy: -165.711 flat angles P-C4'-P energy: -85.366 tors. eta vs tors. theta energy: -97.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1381.834605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.834605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.834605 (E_RNA) where: Base-Base interactions energy: -812.792 where: short stacking energy: -386.489 Base-Backbone interact. energy: -4.171 local terms energy: -564.871965 where: bonds (distance) C4'-P energy: -130.018 bonds (distance) P-C4' energy: -158.981 flat angles C4'-P-C4' energy: -143.425 flat angles P-C4'-P energy: -83.535 tors. eta vs tors. theta energy: -48.913 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: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1038.299227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.299227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.299227 (E_RNA) where: Base-Base interactions energy: -565.968 where: short stacking energy: -318.558 Base-Backbone interact. energy: -0.468 local terms energy: -471.863510 where: bonds (distance) C4'-P energy: -122.246 bonds (distance) P-C4' energy: -127.382 flat angles C4'-P-C4' energy: -127.494 flat angles P-C4'-P energy: -72.225 tors. eta vs tors. theta energy: -22.516 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: 116 Temperature: 1.350000 Total energy: -932.472488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.472488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.472488 (E_RNA) where: Base-Base interactions energy: -485.149 where: short stacking energy: -237.577 Base-Backbone interact. energy: -2.003 local terms energy: -445.320377 where: bonds (distance) C4'-P energy: -135.825 bonds (distance) P-C4' energy: -123.951 flat angles C4'-P-C4' energy: -125.413 flat angles P-C4'-P energy: -60.751 tors. eta vs tors. theta energy: 0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2826.015036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.015036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.015036 (E_RNA) where: Base-Base interactions energy: -1968.288 where: short stacking energy: -811.787 Base-Backbone interact. energy: -4.495 local terms energy: -853.231646 where: bonds (distance) C4'-P energy: -159.957 bonds (distance) P-C4' energy: -147.365 flat angles C4'-P-C4' energy: -191.515 flat angles P-C4'-P energy: -119.424 tors. eta vs tors. theta energy: -234.970 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: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2718.133816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.133816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.133816 (E_RNA) where: Base-Base interactions energy: -1882.778 where: short stacking energy: -804.472 Base-Backbone interact. energy: -0.571 local terms energy: -834.784468 where: bonds (distance) C4'-P energy: -147.429 bonds (distance) P-C4' energy: -157.224 flat angles C4'-P-C4' energy: -180.428 flat angles P-C4'-P energy: -107.369 tors. eta vs tors. theta energy: -242.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2522.905478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.905478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.905478 (E_RNA) where: Base-Base interactions energy: -1707.864 where: short stacking energy: -731.522 Base-Backbone interact. energy: -3.417 local terms energy: -811.624165 where: bonds (distance) C4'-P energy: -154.000 bonds (distance) P-C4' energy: -148.658 flat angles C4'-P-C4' energy: -183.586 flat angles P-C4'-P energy: -104.742 tors. eta vs tors. theta energy: -220.638 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: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2389.750526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.750526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.750526 (E_RNA) where: Base-Base interactions energy: -1586.691 where: short stacking energy: -674.028 Base-Backbone interact. energy: -4.055 local terms energy: -799.003854 where: bonds (distance) C4'-P energy: -142.014 bonds (distance) P-C4' energy: -164.828 flat angles C4'-P-C4' energy: -166.877 flat angles P-C4'-P energy: -125.142 tors. eta vs tors. theta energy: -200.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2258.489906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.489906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.489906 (E_RNA) where: Base-Base interactions energy: -1483.910 where: short stacking energy: -652.745 Base-Backbone interact. energy: -1.948 local terms energy: -772.632601 where: bonds (distance) C4'-P energy: -147.414 bonds (distance) P-C4' energy: -155.368 flat angles C4'-P-C4' energy: -177.760 flat angles P-C4'-P energy: -101.485 tors. eta vs tors. theta energy: -190.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1946.331127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.331127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.331127 (E_RNA) where: Base-Base interactions energy: -1288.260 where: short stacking energy: -573.763 Base-Backbone interact. energy: 1.429 local terms energy: -659.499790 where: bonds (distance) C4'-P energy: -145.041 bonds (distance) P-C4' energy: -119.593 flat angles C4'-P-C4' energy: -150.711 flat angles P-C4'-P energy: -94.395 tors. eta vs tors. theta energy: -149.760 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: 117 Temperature: 1.200000 Total energy: -1624.158947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.158947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.158947 (E_RNA) where: Base-Base interactions energy: -1028.144 where: short stacking energy: -468.021 Base-Backbone interact. energy: -3.011 local terms energy: -593.003409 where: bonds (distance) C4'-P energy: -140.082 bonds (distance) P-C4' energy: -119.906 flat angles C4'-P-C4' energy: -124.137 flat angles P-C4'-P energy: -102.073 tors. eta vs tors. theta energy: -106.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1372.562009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.562009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.562009 (E_RNA) where: Base-Base interactions energy: -827.945 where: short stacking energy: -395.392 Base-Backbone interact. energy: 0.599 local terms energy: -545.216446 where: bonds (distance) C4'-P energy: -123.715 bonds (distance) P-C4' energy: -132.998 flat angles C4'-P-C4' energy: -140.626 flat angles P-C4'-P energy: -92.677 tors. eta vs tors. theta energy: -55.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1014.191077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.191077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.191077 (E_RNA) where: Base-Base interactions energy: -530.634 where: short stacking energy: -299.774 Base-Backbone interact. energy: 4.241 local terms energy: -487.798573 where: bonds (distance) C4'-P energy: -145.069 bonds (distance) P-C4' energy: -128.362 flat angles C4'-P-C4' energy: -112.478 flat angles P-C4'-P energy: -87.967 tors. eta vs tors. theta energy: -13.922 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: 117 Temperature: 1.350000 Total energy: -953.503095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.503095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.503095 (E_RNA) where: Base-Base interactions energy: -492.195 where: short stacking energy: -274.268 Base-Backbone interact. energy: 1.052 local terms energy: -462.359948 where: bonds (distance) C4'-P energy: -122.079 bonds (distance) P-C4' energy: -143.394 flat angles C4'-P-C4' energy: -130.688 flat angles P-C4'-P energy: -67.842 tors. eta vs tors. theta energy: 1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2808.844204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.844204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.844204 (E_RNA) where: Base-Base interactions energy: -1941.670 where: short stacking energy: -803.956 Base-Backbone interact. energy: 0.069 local terms energy: -867.242739 where: bonds (distance) C4'-P energy: -178.979 bonds (distance) P-C4' energy: -151.562 flat angles C4'-P-C4' energy: -179.898 flat angles P-C4'-P energy: -115.502 tors. eta vs tors. theta energy: -241.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2719.734866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.734866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.734866 (E_RNA) where: Base-Base interactions energy: -1854.182 where: short stacking energy: -775.928 Base-Backbone interact. energy: -6.731 local terms energy: -858.821986 where: bonds (distance) C4'-P energy: -172.808 bonds (distance) P-C4' energy: -150.817 flat angles C4'-P-C4' energy: -192.487 flat angles P-C4'-P energy: -119.762 tors. eta vs tors. theta energy: -222.948 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: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2498.493727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.493727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.493727 (E_RNA) where: Base-Base interactions energy: -1676.743 where: short stacking energy: -721.926 Base-Backbone interact. energy: 4.186 local terms energy: -825.936738 where: bonds (distance) C4'-P energy: -156.589 bonds (distance) P-C4' energy: -157.726 flat angles C4'-P-C4' energy: -174.749 flat angles P-C4'-P energy: -118.025 tors. eta vs tors. theta energy: -218.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2395.864007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.864007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.864007 (E_RNA) where: Base-Base interactions energy: -1598.286 where: short stacking energy: -677.082 Base-Backbone interact. energy: -4.592 local terms energy: -792.985918 where: bonds (distance) C4'-P energy: -149.026 bonds (distance) P-C4' energy: -167.840 flat angles C4'-P-C4' energy: -177.725 flat angles P-C4'-P energy: -104.854 tors. eta vs tors. theta energy: -193.540 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: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2235.501231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.501231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.501231 (E_RNA) where: Base-Base interactions energy: -1456.339 where: short stacking energy: -639.442 Base-Backbone interact. energy: -4.087 local terms energy: -775.075338 where: bonds (distance) C4'-P energy: -150.939 bonds (distance) P-C4' energy: -163.071 flat angles C4'-P-C4' energy: -180.760 flat angles P-C4'-P energy: -99.280 tors. eta vs tors. theta energy: -181.026 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: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1962.950764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.950764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.950764 (E_RNA) where: Base-Base interactions energy: -1251.455 where: short stacking energy: -544.669 Base-Backbone interact. energy: 0.089 local terms energy: -711.585222 where: bonds (distance) C4'-P energy: -166.907 bonds (distance) P-C4' energy: -148.473 flat angles C4'-P-C4' energy: -164.678 flat angles P-C4'-P energy: -96.330 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: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1620.905821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.905821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.905821 (E_RNA) where: Base-Base interactions energy: -1006.371 where: short stacking energy: -478.567 Base-Backbone interact. energy: -1.283 local terms energy: -613.251857 where: bonds (distance) C4'-P energy: -145.086 bonds (distance) P-C4' energy: -130.573 flat angles C4'-P-C4' energy: -149.458 flat angles P-C4'-P energy: -86.071 tors. eta vs tors. theta energy: -102.064 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: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1410.172201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.172201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.172201 (E_RNA) where: Base-Base interactions energy: -811.658 where: short stacking energy: -358.490 Base-Backbone interact. energy: -2.434 local terms energy: -596.080822 where: bonds (distance) C4'-P energy: -138.121 bonds (distance) P-C4' energy: -148.187 flat angles C4'-P-C4' energy: -149.606 flat angles P-C4'-P energy: -111.143 tors. eta vs tors. theta energy: -49.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1024.597416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.597416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.597416 (E_RNA) where: Base-Base interactions energy: -543.345 where: short stacking energy: -292.280 Base-Backbone interact. energy: 5.448 local terms energy: -486.700145 where: bonds (distance) C4'-P energy: -130.688 bonds (distance) P-C4' energy: -139.597 flat angles C4'-P-C4' energy: -122.146 flat angles P-C4'-P energy: -67.477 tors. eta vs tors. theta energy: -26.793 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: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -926.933115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.933115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.933115 (E_RNA) where: Base-Base interactions energy: -479.672 where: short stacking energy: -257.635 Base-Backbone interact. energy: -2.794 local terms energy: -444.467343 where: bonds (distance) C4'-P energy: -143.671 bonds (distance) P-C4' energy: -132.354 flat angles C4'-P-C4' energy: -110.976 flat angles P-C4'-P energy: -52.548 tors. eta vs tors. theta energy: -4.918 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: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2782.060186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.060186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.060186 (E_RNA) where: Base-Base interactions energy: -1918.588 where: short stacking energy: -796.948 Base-Backbone interact. energy: -5.216 local terms energy: -858.255493 where: bonds (distance) C4'-P energy: -157.614 bonds (distance) P-C4' energy: -163.244 flat angles C4'-P-C4' energy: -181.150 flat angles P-C4'-P energy: -130.006 tors. eta vs tors. theta energy: -226.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2750.426314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.426314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.426314 (E_RNA) where: Base-Base interactions energy: -1889.636 where: short stacking energy: -805.541 Base-Backbone interact. energy: -1.430 local terms energy: -859.360383 where: bonds (distance) C4'-P energy: -153.239 bonds (distance) P-C4' energy: -167.795 flat angles C4'-P-C4' energy: -178.486 flat angles P-C4'-P energy: -119.607 tors. eta vs tors. theta energy: -240.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2502.744588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.744588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.744588 (E_RNA) where: Base-Base interactions energy: -1697.375 where: short stacking energy: -715.032 Base-Backbone interact. energy: -3.464 local terms energy: -801.905190 where: bonds (distance) C4'-P energy: -142.726 bonds (distance) P-C4' energy: -155.560 flat angles C4'-P-C4' energy: -190.396 flat angles P-C4'-P energy: -109.836 tors. eta vs tors. theta energy: -203.387 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: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2416.312233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.312233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.312233 (E_RNA) where: Base-Base interactions energy: -1630.920 where: short stacking energy: -675.453 Base-Backbone interact. energy: -3.454 local terms energy: -781.938375 where: bonds (distance) C4'-P energy: -165.830 bonds (distance) P-C4' energy: -147.869 flat angles C4'-P-C4' energy: -182.786 flat angles P-C4'-P energy: -99.899 tors. eta vs tors. theta energy: -185.554 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: 5, replica: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2192.944627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.944627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.944627 (E_RNA) where: Base-Base interactions energy: -1519.273 where: short stacking energy: -637.829 Base-Backbone interact. energy: 1.128 local terms energy: -674.799490 where: bonds (distance) C4'-P energy: -148.003 bonds (distance) P-C4' energy: -129.351 flat angles C4'-P-C4' energy: -156.243 flat angles P-C4'-P energy: -84.464 tors. eta vs tors. theta energy: -156.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1964.938101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.938101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.938101 (E_RNA) where: Base-Base interactions energy: -1324.171 where: short stacking energy: -554.160 Base-Backbone interact. energy: -4.182 local terms energy: -636.584796 where: bonds (distance) C4'-P energy: -129.381 bonds (distance) P-C4' energy: -140.419 flat angles C4'-P-C4' energy: -146.644 flat angles P-C4'-P energy: -84.626 tors. eta vs tors. theta energy: -135.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1600.840776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.840776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.840776 (E_RNA) where: Base-Base interactions energy: -1015.630 where: short stacking energy: -463.555 Base-Backbone interact. energy: 2.107 local terms energy: -587.317132 where: bonds (distance) C4'-P energy: -134.779 bonds (distance) P-C4' energy: -142.326 flat angles C4'-P-C4' energy: -145.646 flat angles P-C4'-P energy: -94.880 tors. eta vs tors. theta energy: -69.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1454.657875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.657875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.657875 (E_RNA) where: Base-Base interactions energy: -944.333 where: short stacking energy: -439.848 Base-Backbone interact. energy: 4.537 local terms energy: -514.861719 where: bonds (distance) C4'-P energy: -111.737 bonds (distance) P-C4' energy: -120.630 flat angles C4'-P-C4' energy: -134.017 flat angles P-C4'-P energy: -81.487 tors. eta vs tors. theta energy: -66.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1022.569551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.569551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.569551 (E_RNA) where: Base-Base interactions energy: -512.892 where: short stacking energy: -282.985 Base-Backbone interact. energy: 0.807 local terms energy: -510.484088 where: bonds (distance) C4'-P energy: -137.006 bonds (distance) P-C4' energy: -156.212 flat angles C4'-P-C4' energy: -128.203 flat angles P-C4'-P energy: -72.488 tors. eta vs tors. theta energy: -16.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -990.231720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.231720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.231720 (E_RNA) where: Base-Base interactions energy: -504.849 where: short stacking energy: -278.525 Base-Backbone interact. energy: -0.720 local terms energy: -484.662431 where: bonds (distance) C4'-P energy: -125.468 bonds (distance) P-C4' energy: -131.808 flat angles C4'-P-C4' energy: -125.757 flat angles P-C4'-P energy: -80.233 tors. eta vs tors. theta energy: -21.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2814.686970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.686970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.686970 (E_RNA) where: Base-Base interactions energy: -1920.862 where: short stacking energy: -802.623 Base-Backbone interact. energy: -7.843 local terms energy: -885.982410 where: bonds (distance) C4'-P energy: -166.780 bonds (distance) P-C4' energy: -168.198 flat angles C4'-P-C4' energy: -176.135 flat angles P-C4'-P energy: -134.363 tors. eta vs tors. theta energy: -240.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2742.625096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.625096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.625096 (E_RNA) where: Base-Base interactions energy: -1869.810 where: short stacking energy: -817.695 Base-Backbone interact. energy: -2.498 local terms energy: -870.317270 where: bonds (distance) C4'-P energy: -153.072 bonds (distance) P-C4' energy: -168.680 flat angles C4'-P-C4' energy: -180.466 flat angles P-C4'-P energy: -129.018 tors. eta vs tors. theta energy: -239.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2567.867721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.867721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.867721 (E_RNA) where: Base-Base interactions energy: -1725.301 where: short stacking energy: -749.208 Base-Backbone interact. energy: -2.267 local terms energy: -840.299738 where: bonds (distance) C4'-P energy: -158.679 bonds (distance) P-C4' energy: -168.124 flat angles C4'-P-C4' energy: -185.790 flat angles P-C4'-P energy: -108.236 tors. eta vs tors. theta energy: -219.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2446.928364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.928364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.928364 (E_RNA) where: Base-Base interactions energy: -1632.803 where: short stacking energy: -706.621 Base-Backbone interact. energy: -6.817 local terms energy: -807.307822 where: bonds (distance) C4'-P energy: -127.696 bonds (distance) P-C4' energy: -175.484 flat angles C4'-P-C4' energy: -182.169 flat angles P-C4'-P energy: -114.700 tors. eta vs tors. theta energy: -207.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2280.042029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.042029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.042029 (E_RNA) where: Base-Base interactions energy: -1521.492 where: short stacking energy: -645.587 Base-Backbone interact. energy: 2.500 local terms energy: -761.050145 where: bonds (distance) C4'-P energy: -152.361 bonds (distance) P-C4' energy: -154.009 flat angles C4'-P-C4' energy: -160.419 flat angles P-C4'-P energy: -101.265 tors. eta vs tors. theta energy: -192.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1886.263449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.263449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.263449 (E_RNA) where: Base-Base interactions energy: -1232.267 where: short stacking energy: -518.879 Base-Backbone interact. energy: -0.660 local terms energy: -653.336495 where: bonds (distance) C4'-P energy: -147.669 bonds (distance) P-C4' energy: -141.474 flat angles C4'-P-C4' energy: -144.398 flat angles P-C4'-P energy: -96.454 tors. eta vs tors. theta energy: -123.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1627.008829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.008829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.008829 (E_RNA) where: Base-Base interactions energy: -1003.155 where: short stacking energy: -439.947 Base-Backbone interact. energy: 1.182 local terms energy: -625.036549 where: bonds (distance) C4'-P energy: -140.052 bonds (distance) P-C4' energy: -169.445 flat angles C4'-P-C4' energy: -141.306 flat angles P-C4'-P energy: -81.328 tors. eta vs tors. theta energy: -92.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1383.624170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.624170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.624170 (E_RNA) where: Base-Base interactions energy: -843.999 where: short stacking energy: -389.613 Base-Backbone interact. energy: 1.048 local terms energy: -540.673093 where: bonds (distance) C4'-P energy: -130.823 bonds (distance) P-C4' energy: -130.794 flat angles C4'-P-C4' energy: -141.948 flat angles P-C4'-P energy: -75.770 tors. eta vs tors. theta energy: -61.339 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: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1034.183567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.183567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.183567 (E_RNA) where: Base-Base interactions energy: -540.070 where: short stacking energy: -303.773 Base-Backbone interact. energy: 1.160 local terms energy: -495.274195 where: bonds (distance) C4'-P energy: -135.613 bonds (distance) P-C4' energy: -126.851 flat angles C4'-P-C4' energy: -140.815 flat angles P-C4'-P energy: -76.504 tors. eta vs tors. theta energy: -15.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -972.710283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.710283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.710283 (E_RNA) where: Base-Base interactions energy: -539.153 where: short stacking energy: -271.473 Base-Backbone interact. energy: 6.093 local terms energy: -439.650574 where: bonds (distance) C4'-P energy: -108.381 bonds (distance) P-C4' energy: -133.440 flat angles C4'-P-C4' energy: -108.901 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -8.998 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: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2796.756506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.756506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.756506 (E_RNA) where: Base-Base interactions energy: -1912.640 where: short stacking energy: -782.058 Base-Backbone interact. energy: -1.121 local terms energy: -882.995245 where: bonds (distance) C4'-P energy: -161.806 bonds (distance) P-C4' energy: -162.628 flat angles C4'-P-C4' energy: -197.842 flat angles P-C4'-P energy: -123.475 tors. eta vs tors. theta energy: -237.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2787.253104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.253104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.253104 (E_RNA) where: Base-Base interactions energy: -1887.321 where: short stacking energy: -805.810 Base-Backbone interact. energy: -2.260 local terms energy: -897.672638 where: bonds (distance) C4'-P energy: -153.046 bonds (distance) P-C4' energy: -176.315 flat angles C4'-P-C4' energy: -195.736 flat angles P-C4'-P energy: -124.797 tors. eta vs tors. theta energy: -247.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2579.500764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.500764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.500764 (E_RNA) where: Base-Base interactions energy: -1747.307 where: short stacking energy: -754.419 Base-Backbone interact. energy: -1.809 local terms energy: -830.384602 where: bonds (distance) C4'-P energy: -150.607 bonds (distance) P-C4' energy: -157.058 flat angles C4'-P-C4' energy: -176.428 flat angles P-C4'-P energy: -114.728 tors. eta vs tors. theta energy: -231.564 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: 4, replica: 7 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2362.490203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.490203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.490203 (E_RNA) where: Base-Base interactions energy: -1562.479 where: short stacking energy: -676.404 Base-Backbone interact. energy: -4.741 local terms energy: -795.269862 where: bonds (distance) C4'-P energy: -161.939 bonds (distance) P-C4' energy: -147.840 flat angles C4'-P-C4' energy: -175.029 flat angles P-C4'-P energy: -111.078 tors. eta vs tors. theta energy: -199.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2261.685883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.685883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.685883 (E_RNA) where: Base-Base interactions energy: -1521.921 where: short stacking energy: -664.535 Base-Backbone interact. energy: -2.671 local terms energy: -737.093694 where: bonds (distance) C4'-P energy: -132.619 bonds (distance) P-C4' energy: -133.443 flat angles C4'-P-C4' energy: -171.486 flat angles P-C4'-P energy: -116.458 tors. eta vs tors. theta energy: -183.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1928.872421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.872421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.872421 (E_RNA) where: Base-Base interactions energy: -1214.467 where: short stacking energy: -543.775 Base-Backbone interact. energy: -4.002 local terms energy: -710.403144 where: bonds (distance) C4'-P energy: -161.926 bonds (distance) P-C4' energy: -139.179 flat angles C4'-P-C4' energy: -157.937 flat angles P-C4'-P energy: -115.861 tors. eta vs tors. theta energy: -135.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1657.616327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.616327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.616327 (E_RNA) where: Base-Base interactions energy: -1076.637 where: short stacking energy: -484.077 Base-Backbone interact. energy: 0.922 local terms energy: -581.900736 where: bonds (distance) C4'-P energy: -141.477 bonds (distance) P-C4' energy: -126.761 flat angles C4'-P-C4' energy: -146.632 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -101.186 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: 8, replica: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1429.657040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.657040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.657040 (E_RNA) where: Base-Base interactions energy: -877.836 where: short stacking energy: -418.523 Base-Backbone interact. energy: -2.302 local terms energy: -549.519028 where: bonds (distance) C4'-P energy: -135.877 bonds (distance) P-C4' energy: -119.068 flat angles C4'-P-C4' energy: -147.106 flat angles P-C4'-P energy: -80.318 tors. eta vs tors. theta energy: -67.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1036.572522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.572522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.572522 (E_RNA) where: Base-Base interactions energy: -558.596 where: short stacking energy: -292.093 Base-Backbone interact. energy: -1.367 local terms energy: -476.609629 where: bonds (distance) C4'-P energy: -148.020 bonds (distance) P-C4' energy: -134.147 flat angles C4'-P-C4' energy: -120.443 flat angles P-C4'-P energy: -67.300 tors. eta vs tors. theta energy: -6.700 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: 121 Temperature: 1.350000 Total energy: -950.338935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.338935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.338935 (E_RNA) where: Base-Base interactions energy: -517.625 where: short stacking energy: -283.484 Base-Backbone interact. energy: 7.570 local terms energy: -440.283987 where: bonds (distance) C4'-P energy: -127.807 bonds (distance) P-C4' energy: -130.218 flat angles C4'-P-C4' energy: -113.161 flat angles P-C4'-P energy: -47.830 tors. eta vs tors. theta energy: -21.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2786.131754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.131754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.131754 (E_RNA) where: Base-Base interactions energy: -1925.503 where: short stacking energy: -811.346 Base-Backbone interact. energy: -2.124 local terms energy: -858.504022 where: bonds (distance) C4'-P energy: -159.464 bonds (distance) P-C4' energy: -170.461 flat angles C4'-P-C4' energy: -181.622 flat angles P-C4'-P energy: -105.699 tors. eta vs tors. theta energy: -241.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2784.711451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.711451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.711451 (E_RNA) where: Base-Base interactions energy: -1889.700 where: short stacking energy: -804.507 Base-Backbone interact. energy: -3.478 local terms energy: -891.533849 where: bonds (distance) C4'-P energy: -165.017 bonds (distance) P-C4' energy: -171.505 flat angles C4'-P-C4' energy: -174.798 flat angles P-C4'-P energy: -120.110 tors. eta vs tors. theta energy: -260.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2382.971602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.971602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.971602 (E_RNA) where: Base-Base interactions energy: -1598.186 where: short stacking energy: -681.413 Base-Backbone interact. energy: -2.963 local terms energy: -781.822414 where: bonds (distance) C4'-P energy: -157.961 bonds (distance) P-C4' energy: -143.153 flat angles C4'-P-C4' energy: -166.973 flat angles P-C4'-P energy: -130.932 tors. eta vs tors. theta energy: -182.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2458.890538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.890538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.890538 (E_RNA) where: Base-Base interactions energy: -1656.138 where: short stacking energy: -704.745 Base-Backbone interact. energy: -5.255 local terms energy: -797.497502 where: bonds (distance) C4'-P energy: -159.069 bonds (distance) P-C4' energy: -153.469 flat angles C4'-P-C4' energy: -173.113 flat angles P-C4'-P energy: -102.307 tors. eta vs tors. theta energy: -209.540 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: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2213.699758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.699758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.699758 (E_RNA) where: Base-Base interactions energy: -1509.532 where: short stacking energy: -631.685 Base-Backbone interact. energy: -1.263 local terms energy: -702.905020 where: bonds (distance) C4'-P energy: -134.271 bonds (distance) P-C4' energy: -132.793 flat angles C4'-P-C4' energy: -170.446 flat angles P-C4'-P energy: -103.558 tors. eta vs tors. theta energy: -161.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1922.063132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.063132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.063132 (E_RNA) where: Base-Base interactions energy: -1232.349 where: short stacking energy: -527.327 Base-Backbone interact. energy: -2.794 local terms energy: -686.919855 where: bonds (distance) C4'-P energy: -141.714 bonds (distance) P-C4' energy: -144.459 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -106.173 tors. eta vs tors. theta energy: -135.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1724.952181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.952181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.952181 (E_RNA) where: Base-Base interactions energy: -1116.448 where: short stacking energy: -495.335 Base-Backbone interact. energy: 1.093 local terms energy: -609.596638 where: bonds (distance) C4'-P energy: -143.119 bonds (distance) P-C4' energy: -132.469 flat angles C4'-P-C4' energy: -149.463 flat angles P-C4'-P energy: -79.404 tors. eta vs tors. theta energy: -105.142 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: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1418.736109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.736109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.736109 (E_RNA) where: Base-Base interactions energy: -845.088 where: short stacking energy: -401.766 Base-Backbone interact. energy: -1.792 local terms energy: -571.856741 where: bonds (distance) C4'-P energy: -146.208 bonds (distance) P-C4' energy: -143.732 flat angles C4'-P-C4' energy: -141.603 flat angles P-C4'-P energy: -59.413 tors. eta vs tors. theta energy: -80.901 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: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1010.620619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.620619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.620619 (E_RNA) where: Base-Base interactions energy: -494.545 where: short stacking energy: -264.792 Base-Backbone interact. energy: -3.152 local terms energy: -512.923106 where: bonds (distance) C4'-P energy: -144.205 bonds (distance) P-C4' energy: -144.709 flat angles C4'-P-C4' energy: -137.934 flat angles P-C4'-P energy: -69.707 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: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -954.410894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.410894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.410894 (E_RNA) where: Base-Base interactions energy: -519.838 where: short stacking energy: -288.874 Base-Backbone interact. energy: 0.322 local terms energy: -434.895057 where: bonds (distance) C4'-P energy: -123.892 bonds (distance) P-C4' energy: -133.017 flat angles C4'-P-C4' energy: -107.692 flat angles P-C4'-P energy: -68.764 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2814.357300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.357300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.357300 (E_RNA) where: Base-Base interactions energy: -1951.322 where: short stacking energy: -775.536 Base-Backbone interact. energy: -4.651 local terms energy: -858.383609 where: bonds (distance) C4'-P energy: -165.902 bonds (distance) P-C4' energy: -170.517 flat angles C4'-P-C4' energy: -177.261 flat angles P-C4'-P energy: -121.193 tors. eta vs tors. theta energy: -223.511 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: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2760.824473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.824473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.824473 (E_RNA) where: Base-Base interactions energy: -1895.098 where: short stacking energy: -809.164 Base-Backbone interact. energy: -2.640 local terms energy: -863.086361 where: bonds (distance) C4'-P energy: -159.513 bonds (distance) P-C4' energy: -161.320 flat angles C4'-P-C4' energy: -189.686 flat angles P-C4'-P energy: -101.939 tors. eta vs tors. theta energy: -250.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2436.303424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.303424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.303424 (E_RNA) where: Base-Base interactions energy: -1646.450 where: short stacking energy: -697.400 Base-Backbone interact. energy: 2.226 local terms energy: -792.079638 where: bonds (distance) C4'-P energy: -142.483 bonds (distance) P-C4' energy: -150.296 flat angles C4'-P-C4' energy: -180.050 flat angles P-C4'-P energy: -130.085 tors. eta vs tors. theta energy: -189.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2452.539592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.539592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.539592 (E_RNA) where: Base-Base interactions energy: -1663.847 where: short stacking energy: -720.325 Base-Backbone interact. energy: 9.612 local terms energy: -798.304190 where: bonds (distance) C4'-P energy: -162.600 bonds (distance) P-C4' energy: -140.946 flat angles C4'-P-C4' energy: -163.336 flat angles P-C4'-P energy: -104.871 tors. eta vs tors. theta energy: -226.551 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: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2224.182380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.182380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.182380 (E_RNA) where: Base-Base interactions energy: -1468.423 where: short stacking energy: -603.969 Base-Backbone interact. energy: 0.229 local terms energy: -755.988159 where: bonds (distance) C4'-P energy: -154.877 bonds (distance) P-C4' energy: -169.759 flat angles C4'-P-C4' energy: -158.934 flat angles P-C4'-P energy: -96.841 tors. eta vs tors. theta energy: -175.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1887.349297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.349297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.349297 (E_RNA) where: Base-Base interactions energy: -1217.496 where: short stacking energy: -588.883 Base-Backbone interact. energy: -1.172 local terms energy: -668.680655 where: bonds (distance) C4'-P energy: -136.291 bonds (distance) P-C4' energy: -116.845 flat angles C4'-P-C4' energy: -168.284 flat angles P-C4'-P energy: -100.901 tors. eta vs tors. theta energy: -146.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1645.559418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.559418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.559418 (E_RNA) where: Base-Base interactions energy: -1024.245 where: short stacking energy: -479.277 Base-Backbone interact. energy: -3.458 local terms energy: -617.856784 where: bonds (distance) C4'-P energy: -139.780 bonds (distance) P-C4' energy: -150.873 flat angles C4'-P-C4' energy: -147.653 flat angles P-C4'-P energy: -82.141 tors. eta vs tors. theta energy: -97.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1447.513162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.513162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.513162 (E_RNA) where: Base-Base interactions energy: -852.055 where: short stacking energy: -424.096 Base-Backbone interact. energy: 9.294 local terms energy: -604.752250 where: bonds (distance) C4'-P energy: -139.583 bonds (distance) P-C4' energy: -163.285 flat angles C4'-P-C4' energy: -135.341 flat angles P-C4'-P energy: -87.121 tors. eta vs tors. theta energy: -79.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1021.276607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.276607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.276607 (E_RNA) where: Base-Base interactions energy: -542.447 where: short stacking energy: -280.626 Base-Backbone interact. energy: 0.830 local terms energy: -479.659620 where: bonds (distance) C4'-P energy: -139.777 bonds (distance) P-C4' energy: -122.861 flat angles C4'-P-C4' energy: -112.301 flat angles P-C4'-P energy: -69.804 tors. eta vs tors. theta energy: -34.917 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: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -921.623616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.623616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.623616 (E_RNA) where: Base-Base interactions energy: -493.619 where: short stacking energy: -251.012 Base-Backbone interact. energy: 2.605 local terms energy: -430.609339 where: bonds (distance) C4'-P energy: -120.227 bonds (distance) P-C4' energy: -142.911 flat angles C4'-P-C4' energy: -112.660 flat angles P-C4'-P energy: -55.236 tors. eta vs tors. theta energy: 0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2833.716436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.716436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.716436 (E_RNA) where: Base-Base interactions energy: -1918.754 where: short stacking energy: -791.073 Base-Backbone interact. energy: -0.721 local terms energy: -914.241396 where: bonds (distance) C4'-P energy: -179.907 bonds (distance) P-C4' energy: -176.967 flat angles C4'-P-C4' energy: -196.183 flat angles P-C4'-P energy: -123.007 tors. eta vs tors. theta energy: -238.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2764.058497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.058497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.058497 (E_RNA) where: Base-Base interactions energy: -1882.641 where: short stacking energy: -801.621 Base-Backbone interact. energy: -1.514 local terms energy: -879.903572 where: bonds (distance) C4'-P energy: -146.337 bonds (distance) P-C4' energy: -176.507 flat angles C4'-P-C4' energy: -185.157 flat angles P-C4'-P energy: -127.466 tors. eta vs tors. theta energy: -244.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2623.049839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.049839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.049839 (E_RNA) where: Base-Base interactions energy: -1775.076 where: short stacking energy: -732.040 Base-Backbone interact. energy: -4.100 local terms energy: -843.873105 where: bonds (distance) C4'-P energy: -160.037 bonds (distance) P-C4' energy: -160.086 flat angles C4'-P-C4' energy: -181.806 flat angles P-C4'-P energy: -116.148 tors. eta vs tors. theta energy: -225.797 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: 7 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2381.781325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.781325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.781325 (E_RNA) where: Base-Base interactions energy: -1592.963 where: short stacking energy: -676.007 Base-Backbone interact. energy: -3.419 local terms energy: -785.399905 where: bonds (distance) C4'-P energy: -156.156 bonds (distance) P-C4' energy: -163.903 flat angles C4'-P-C4' energy: -162.092 flat angles P-C4'-P energy: -106.240 tors. eta vs tors. theta energy: -197.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2196.287755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.287755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.287755 (E_RNA) where: Base-Base interactions energy: -1453.518 where: short stacking energy: -608.245 Base-Backbone interact. energy: -4.102 local terms energy: -738.667743 where: bonds (distance) C4'-P energy: -160.576 bonds (distance) P-C4' energy: -133.412 flat angles C4'-P-C4' energy: -161.934 flat angles P-C4'-P energy: -103.600 tors. eta vs tors. theta energy: -179.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1872.085280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.085280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.085280 (E_RNA) where: Base-Base interactions energy: -1178.817 where: short stacking energy: -534.555 Base-Backbone interact. energy: -3.516 local terms energy: -689.752613 where: bonds (distance) C4'-P energy: -147.332 bonds (distance) P-C4' energy: -155.634 flat angles C4'-P-C4' energy: -153.037 flat angles P-C4'-P energy: -100.605 tors. eta vs tors. theta energy: -133.146 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: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1628.698691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.698691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.698691 (E_RNA) where: Base-Base interactions energy: -1022.069 where: short stacking energy: -451.971 Base-Backbone interact. energy: -0.492 local terms energy: -606.137918 where: bonds (distance) C4'-P energy: -136.510 bonds (distance) P-C4' energy: -141.351 flat angles C4'-P-C4' energy: -138.290 flat angles P-C4'-P energy: -93.691 tors. eta vs tors. theta energy: -96.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1504.383431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.383431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.383431 (E_RNA) where: Base-Base interactions energy: -944.527 where: short stacking energy: -406.019 Base-Backbone interact. energy: -0.388 local terms energy: -559.467971 where: bonds (distance) C4'-P energy: -138.716 bonds (distance) P-C4' energy: -145.155 flat angles C4'-P-C4' energy: -106.419 flat angles P-C4'-P energy: -90.124 tors. eta vs tors. theta energy: -79.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1019.244158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.244158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.244158 (E_RNA) where: Base-Base interactions energy: -540.962 where: short stacking energy: -285.002 Base-Backbone interact. energy: 1.238 local terms energy: -479.519919 where: bonds (distance) C4'-P energy: -124.497 bonds (distance) P-C4' energy: -122.671 flat angles C4'-P-C4' energy: -122.567 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -38.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -908.780392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.780392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.780392 (E_RNA) where: Base-Base interactions energy: -467.893 where: short stacking energy: -228.925 Base-Backbone interact. energy: 3.285 local terms energy: -444.172532 where: bonds (distance) C4'-P energy: -126.743 bonds (distance) P-C4' energy: -132.111 flat angles C4'-P-C4' energy: -118.968 flat angles P-C4'-P energy: -73.681 tors. eta vs tors. theta energy: 7.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2819.792856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.792856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.792856 (E_RNA) where: Base-Base interactions energy: -1914.238 where: short stacking energy: -775.015 Base-Backbone interact. energy: -3.447 local terms energy: -902.108218 where: bonds (distance) C4'-P energy: -180.777 bonds (distance) P-C4' energy: -165.908 flat angles C4'-P-C4' energy: -190.730 flat angles P-C4'-P energy: -124.957 tors. eta vs tors. theta energy: -239.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2766.989224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.989224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.989224 (E_RNA) where: Base-Base interactions energy: -1904.030 where: short stacking energy: -804.392 Base-Backbone interact. energy: -3.401 local terms energy: -859.558644 where: bonds (distance) C4'-P energy: -163.464 bonds (distance) P-C4' energy: -164.832 flat angles C4'-P-C4' energy: -185.336 flat angles P-C4'-P energy: -101.339 tors. eta vs tors. theta energy: -244.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2595.201592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.201592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.201592 (E_RNA) where: Base-Base interactions energy: -1755.399 where: short stacking energy: -770.964 Base-Backbone interact. energy: -3.510 local terms energy: -836.292951 where: bonds (distance) C4'-P energy: -163.064 bonds (distance) P-C4' energy: -160.146 flat angles C4'-P-C4' energy: -169.350 flat angles P-C4'-P energy: -116.718 tors. eta vs tors. theta energy: -227.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2303.954512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.954512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.954512 (E_RNA) where: Base-Base interactions energy: -1545.935 where: short stacking energy: -660.865 Base-Backbone interact. energy: -2.004 local terms energy: -756.015571 where: bonds (distance) C4'-P energy: -161.080 bonds (distance) P-C4' energy: -155.906 flat angles C4'-P-C4' energy: -170.663 flat angles P-C4'-P energy: -102.864 tors. eta vs tors. theta energy: -165.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2247.458085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.458085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.458085 (E_RNA) where: Base-Base interactions energy: -1503.767 where: short stacking energy: -673.176 Base-Backbone interact. energy: -1.887 local terms energy: -741.804522 where: bonds (distance) C4'-P energy: -131.781 bonds (distance) P-C4' energy: -152.215 flat angles C4'-P-C4' energy: -171.901 flat angles P-C4'-P energy: -96.019 tors. eta vs tors. theta energy: -189.889 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: 6, replica: 4 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1862.305753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.305753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.305753 (E_RNA) where: Base-Base interactions energy: -1217.694 where: short stacking energy: -508.757 Base-Backbone interact. energy: -3.162 local terms energy: -641.449273 where: bonds (distance) C4'-P energy: -138.855 bonds (distance) P-C4' energy: -143.690 flat angles C4'-P-C4' energy: -141.291 flat angles P-C4'-P energy: -93.551 tors. eta vs tors. theta energy: -124.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1693.461004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.461004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.461004 (E_RNA) where: Base-Base interactions energy: -1088.530 where: short stacking energy: -508.514 Base-Backbone interact. energy: 3.868 local terms energy: -608.798070 where: bonds (distance) C4'-P energy: -122.332 bonds (distance) P-C4' energy: -141.139 flat angles C4'-P-C4' energy: -133.601 flat angles P-C4'-P energy: -97.724 tors. eta vs tors. theta energy: -114.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1530.965355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.965355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.965355 (E_RNA) where: Base-Base interactions energy: -905.716 where: short stacking energy: -443.800 Base-Backbone interact. energy: 8.073 local terms energy: -633.322857 where: bonds (distance) C4'-P energy: -142.462 bonds (distance) P-C4' energy: -142.729 flat angles C4'-P-C4' energy: -162.254 flat angles P-C4'-P energy: -103.372 tors. eta vs tors. theta energy: -82.505 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: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1021.402597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.402597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.402597 (E_RNA) where: Base-Base interactions energy: -518.119 where: short stacking energy: -301.126 Base-Backbone interact. energy: 2.241 local terms energy: -505.524487 where: bonds (distance) C4'-P energy: -144.210 bonds (distance) P-C4' energy: -134.351 flat angles C4'-P-C4' energy: -132.052 flat angles P-C4'-P energy: -76.308 tors. eta vs tors. theta energy: -18.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -908.477374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.477374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.477374 (E_RNA) where: Base-Base interactions energy: -449.524 where: short stacking energy: -249.076 Base-Backbone interact. energy: -0.865 local terms energy: -458.088660 where: bonds (distance) C4'-P energy: -128.327 bonds (distance) P-C4' energy: -140.349 flat angles C4'-P-C4' energy: -127.331 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2822.777245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.777245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.777245 (E_RNA) where: Base-Base interactions energy: -1949.455 where: short stacking energy: -792.702 Base-Backbone interact. energy: 1.691 local terms energy: -875.013824 where: bonds (distance) C4'-P energy: -157.471 bonds (distance) P-C4' energy: -159.713 flat angles C4'-P-C4' energy: -193.644 flat angles P-C4'-P energy: -127.129 tors. eta vs tors. theta energy: -237.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2725.098785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.098785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.098785 (E_RNA) where: Base-Base interactions energy: -1870.202 where: short stacking energy: -761.297 Base-Backbone interact. energy: -2.749 local terms energy: -852.147028 where: bonds (distance) C4'-P energy: -159.950 bonds (distance) P-C4' energy: -154.575 flat angles C4'-P-C4' energy: -188.653 flat angles P-C4'-P energy: -117.134 tors. eta vs tors. theta energy: -231.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2564.132277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.132277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.132277 (E_RNA) where: Base-Base interactions energy: -1745.013 where: short stacking energy: -740.619 Base-Backbone interact. energy: -2.955 local terms energy: -816.164692 where: bonds (distance) C4'-P energy: -154.303 bonds (distance) P-C4' energy: -155.033 flat angles C4'-P-C4' energy: -184.417 flat angles P-C4'-P energy: -105.373 tors. eta vs tors. theta energy: -217.039 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: 7 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2334.018631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.018631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.018631 (E_RNA) where: Base-Base interactions energy: -1527.144 where: short stacking energy: -641.564 Base-Backbone interact. energy: -1.138 local terms energy: -805.735920 where: bonds (distance) C4'-P energy: -166.284 bonds (distance) P-C4' energy: -167.136 flat angles C4'-P-C4' energy: -166.775 flat angles P-C4'-P energy: -116.741 tors. eta vs tors. theta energy: -188.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2238.052518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.052518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.052518 (E_RNA) where: Base-Base interactions energy: -1490.035 where: short stacking energy: -645.651 Base-Backbone interact. energy: -1.587 local terms energy: -746.430355 where: bonds (distance) C4'-P energy: -147.298 bonds (distance) P-C4' energy: -145.640 flat angles C4'-P-C4' energy: -152.149 flat angles P-C4'-P energy: -116.426 tors. eta vs tors. theta energy: -184.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1920.109778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.109778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.109778 (E_RNA) where: Base-Base interactions energy: -1256.500 where: short stacking energy: -538.162 Base-Backbone interact. energy: 1.122 local terms energy: -664.731909 where: bonds (distance) C4'-P energy: -161.182 bonds (distance) P-C4' energy: -138.527 flat angles C4'-P-C4' energy: -124.117 flat angles P-C4'-P energy: -101.872 tors. eta vs tors. theta energy: -139.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1703.960286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.960286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.960286 (E_RNA) where: Base-Base interactions energy: -1085.567 where: short stacking energy: -500.864 Base-Backbone interact. energy: -3.480 local terms energy: -614.913122 where: bonds (distance) C4'-P energy: -150.306 bonds (distance) P-C4' energy: -142.067 flat angles C4'-P-C4' energy: -125.167 flat angles P-C4'-P energy: -92.726 tors. eta vs tors. theta energy: -104.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1479.887171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.887171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.887171 (E_RNA) where: Base-Base interactions energy: -904.388 where: short stacking energy: -419.688 Base-Backbone interact. energy: -2.499 local terms energy: -572.999737 where: bonds (distance) C4'-P energy: -140.960 bonds (distance) P-C4' energy: -133.723 flat angles C4'-P-C4' energy: -144.486 flat angles P-C4'-P energy: -85.439 tors. eta vs tors. theta energy: -68.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1033.688626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.688626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.688626 (E_RNA) where: Base-Base interactions energy: -540.452 where: short stacking energy: -287.816 Base-Backbone interact. energy: 1.208 local terms energy: -494.444394 where: bonds (distance) C4'-P energy: -143.262 bonds (distance) P-C4' energy: -149.027 flat angles C4'-P-C4' energy: -130.288 flat angles P-C4'-P energy: -71.948 tors. eta vs tors. theta energy: 0.080 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: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -848.351573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.351573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.351573 (E_RNA) where: Base-Base interactions energy: -419.454 where: short stacking energy: -239.387 Base-Backbone interact. energy: -0.034 local terms energy: -428.862751 where: bonds (distance) C4'-P energy: -109.821 bonds (distance) P-C4' energy: -149.355 flat angles C4'-P-C4' energy: -137.027 flat angles P-C4'-P energy: -58.036 tors. eta vs tors. theta energy: 25.376 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: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2855.738183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.738183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.738183 (E_RNA) where: Base-Base interactions energy: -1955.562 where: short stacking energy: -800.631 Base-Backbone interact. energy: -3.970 local terms energy: -896.206106 where: bonds (distance) C4'-P energy: -162.711 bonds (distance) P-C4' energy: -176.195 flat angles C4'-P-C4' energy: -195.104 flat angles P-C4'-P energy: -124.536 tors. eta vs tors. theta energy: -237.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2735.074744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.074744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.074744 (E_RNA) where: Base-Base interactions energy: -1845.586 where: short stacking energy: -793.690 Base-Backbone interact. energy: -3.385 local terms energy: -886.103223 where: bonds (distance) C4'-P energy: -173.266 bonds (distance) P-C4' energy: -165.648 flat angles C4'-P-C4' energy: -189.458 flat angles P-C4'-P energy: -124.597 tors. eta vs tors. theta energy: -233.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2612.199010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.199010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.199010 (E_RNA) where: Base-Base interactions energy: -1774.912 where: short stacking energy: -764.637 Base-Backbone interact. energy: -2.319 local terms energy: -834.968086 where: bonds (distance) C4'-P energy: -162.176 bonds (distance) P-C4' energy: -150.277 flat angles C4'-P-C4' energy: -177.350 flat angles P-C4'-P energy: -116.128 tors. eta vs tors. theta energy: -229.037 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: 7 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2340.134543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.134543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.134543 (E_RNA) where: Base-Base interactions energy: -1546.660 where: short stacking energy: -665.731 Base-Backbone interact. energy: 2.568 local terms energy: -796.042989 where: bonds (distance) C4'-P energy: -154.885 bonds (distance) P-C4' energy: -149.729 flat angles C4'-P-C4' energy: -196.202 flat angles P-C4'-P energy: -107.552 tors. eta vs tors. theta energy: -187.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2195.582004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.582004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.582004 (E_RNA) where: Base-Base interactions energy: -1436.291 where: short stacking energy: -635.157 Base-Backbone interact. energy: 2.951 local terms energy: -762.241889 where: bonds (distance) C4'-P energy: -163.289 bonds (distance) P-C4' energy: -144.412 flat angles C4'-P-C4' energy: -167.772 flat angles P-C4'-P energy: -111.718 tors. eta vs tors. theta energy: -175.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1911.088091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.088091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.088091 (E_RNA) where: Base-Base interactions energy: -1212.591 where: short stacking energy: -585.142 Base-Backbone interact. energy: -1.526 local terms energy: -696.970884 where: bonds (distance) C4'-P energy: -145.618 bonds (distance) P-C4' energy: -139.513 flat angles C4'-P-C4' energy: -157.962 flat angles P-C4'-P energy: -109.124 tors. eta vs tors. theta energy: -144.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1686.881518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.881518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.881518 (E_RNA) where: Base-Base interactions energy: -1069.704 where: short stacking energy: -510.840 Base-Backbone interact. energy: -1.286 local terms energy: -615.891070 where: bonds (distance) C4'-P energy: -114.543 bonds (distance) P-C4' energy: -159.665 flat angles C4'-P-C4' energy: -155.707 flat angles P-C4'-P energy: -75.762 tors. eta vs tors. theta energy: -110.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1509.678052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.678052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.678052 (E_RNA) where: Base-Base interactions energy: -933.544 where: short stacking energy: -470.225 Base-Backbone interact. energy: 2.291 local terms energy: -578.425672 where: bonds (distance) C4'-P energy: -123.046 bonds (distance) P-C4' energy: -154.316 flat angles C4'-P-C4' energy: -135.209 flat angles P-C4'-P energy: -93.114 tors. eta vs tors. theta energy: -72.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1055.164856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.164856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.164856 (E_RNA) where: Base-Base interactions energy: -563.209 where: short stacking energy: -314.337 Base-Backbone interact. energy: -0.314 local terms energy: -491.641652 where: bonds (distance) C4'-P energy: -118.846 bonds (distance) P-C4' energy: -148.438 flat angles C4'-P-C4' energy: -114.245 flat angles P-C4'-P energy: -76.923 tors. eta vs tors. theta energy: -33.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -851.048578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.048578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.048578 (E_RNA) where: Base-Base interactions energy: -395.857 where: short stacking energy: -226.210 Base-Backbone interact. energy: -4.393 local terms energy: -450.799022 where: bonds (distance) C4'-P energy: -124.544 bonds (distance) P-C4' energy: -133.486 flat angles C4'-P-C4' energy: -108.385 flat angles P-C4'-P energy: -75.905 tors. eta vs tors. theta energy: -8.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2848.271893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.271893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.271893 (E_RNA) where: Base-Base interactions energy: -1968.799 where: short stacking energy: -783.158 Base-Backbone interact. energy: -7.082 local terms energy: -872.390576 where: bonds (distance) C4'-P energy: -158.949 bonds (distance) P-C4' energy: -165.828 flat angles C4'-P-C4' energy: -184.670 flat angles P-C4'-P energy: -128.103 tors. eta vs tors. theta energy: -234.841 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: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2739.518105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.518105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.518105 (E_RNA) where: Base-Base interactions energy: -1867.619 where: short stacking energy: -808.890 Base-Backbone interact. energy: -1.960 local terms energy: -869.938824 where: bonds (distance) C4'-P energy: -161.895 bonds (distance) P-C4' energy: -165.617 flat angles C4'-P-C4' energy: -191.434 flat angles P-C4'-P energy: -119.867 tors. eta vs tors. theta energy: -231.126 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: 3, replica: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2582.862747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.862747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.862747 (E_RNA) where: Base-Base interactions energy: -1757.190 where: short stacking energy: -724.638 Base-Backbone interact. energy: -2.471 local terms energy: -823.201993 where: bonds (distance) C4'-P energy: -162.844 bonds (distance) P-C4' energy: -154.280 flat angles C4'-P-C4' energy: -185.658 flat angles P-C4'-P energy: -108.828 tors. eta vs tors. theta energy: -211.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2360.685364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.685364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.685364 (E_RNA) where: Base-Base interactions energy: -1599.349 where: short stacking energy: -661.822 Base-Backbone interact. energy: -2.778 local terms energy: -758.558208 where: bonds (distance) C4'-P energy: -131.422 bonds (distance) P-C4' energy: -156.250 flat angles C4'-P-C4' energy: -166.990 flat angles P-C4'-P energy: -113.233 tors. eta vs tors. theta energy: -190.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2245.269387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.269387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.269387 (E_RNA) where: Base-Base interactions energy: -1500.176 where: short stacking energy: -647.800 Base-Backbone interact. energy: 1.007 local terms energy: -746.100331 where: bonds (distance) C4'-P energy: -147.630 bonds (distance) P-C4' energy: -164.040 flat angles C4'-P-C4' energy: -149.852 flat angles P-C4'-P energy: -96.166 tors. eta vs tors. theta energy: -188.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1914.670938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.670938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.670938 (E_RNA) where: Base-Base interactions energy: -1230.286 where: short stacking energy: -516.517 Base-Backbone interact. energy: -3.493 local terms energy: -680.892135 where: bonds (distance) C4'-P energy: -138.236 bonds (distance) P-C4' energy: -151.634 flat angles C4'-P-C4' energy: -154.824 flat angles P-C4'-P energy: -100.209 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: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1641.938521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.938521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.938521 (E_RNA) where: Base-Base interactions energy: -1041.275 where: short stacking energy: -493.450 Base-Backbone interact. energy: 14.931 local terms energy: -615.594150 where: bonds (distance) C4'-P energy: -113.587 bonds (distance) P-C4' energy: -145.237 flat angles C4'-P-C4' energy: -143.765 flat angles P-C4'-P energy: -104.428 tors. eta vs tors. theta energy: -108.578 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: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1539.261619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.261619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.261619 (E_RNA) where: Base-Base interactions energy: -961.362 where: short stacking energy: -447.174 Base-Backbone interact. energy: 0.074 local terms energy: -577.973743 where: bonds (distance) C4'-P energy: -125.649 bonds (distance) P-C4' energy: -142.564 flat angles C4'-P-C4' energy: -136.977 flat angles P-C4'-P energy: -88.134 tors. eta vs tors. theta energy: -84.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1031.289331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.289331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.289331 (E_RNA) where: Base-Base interactions energy: -519.850 where: short stacking energy: -284.309 Base-Backbone interact. energy: -0.172 local terms energy: -511.266959 where: bonds (distance) C4'-P energy: -143.344 bonds (distance) P-C4' energy: -141.823 flat angles C4'-P-C4' energy: -143.532 flat angles P-C4'-P energy: -62.294 tors. eta vs tors. theta energy: -20.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -883.483886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.483886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.483886 (E_RNA) where: Base-Base interactions energy: -426.755 where: short stacking energy: -232.096 Base-Backbone interact. energy: 2.185 local terms energy: -458.914245 where: bonds (distance) C4'-P energy: -131.101 bonds (distance) P-C4' energy: -164.322 flat angles C4'-P-C4' energy: -112.095 flat angles P-C4'-P energy: -72.277 tors. eta vs tors. theta energy: 20.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2822.996781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.996781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.996781 (E_RNA) where: Base-Base interactions energy: -1952.784 where: short stacking energy: -778.739 Base-Backbone interact. energy: 1.165 local terms energy: -871.377346 where: bonds (distance) C4'-P energy: -168.824 bonds (distance) P-C4' energy: -171.867 flat angles C4'-P-C4' energy: -185.623 flat angles P-C4'-P energy: -112.076 tors. eta vs tors. theta energy: -232.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2685.413311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.413311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.413311 (E_RNA) where: Base-Base interactions energy: -1835.768 where: short stacking energy: -785.428 Base-Backbone interact. energy: -1.309 local terms energy: -848.336795 where: bonds (distance) C4'-P energy: -157.387 bonds (distance) P-C4' energy: -155.425 flat angles C4'-P-C4' energy: -187.638 flat angles P-C4'-P energy: -114.035 tors. eta vs tors. theta energy: -233.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2596.659167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.659167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.659167 (E_RNA) where: Base-Base interactions energy: -1766.713 where: short stacking energy: -755.515 Base-Backbone interact. energy: -2.897 local terms energy: -827.048830 where: bonds (distance) C4'-P energy: -143.995 bonds (distance) P-C4' energy: -167.485 flat angles C4'-P-C4' energy: -185.335 flat angles P-C4'-P energy: -112.550 tors. eta vs tors. theta energy: -217.684 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: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2274.519598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.519598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.519598 (E_RNA) where: Base-Base interactions energy: -1497.313 where: short stacking energy: -646.489 Base-Backbone interact. energy: -1.769 local terms energy: -775.437811 where: bonds (distance) C4'-P energy: -150.039 bonds (distance) P-C4' energy: -169.597 flat angles C4'-P-C4' energy: -165.291 flat angles P-C4'-P energy: -102.421 tors. eta vs tors. theta energy: -188.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2292.914702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.914702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.914702 (E_RNA) where: Base-Base interactions energy: -1519.692 where: short stacking energy: -678.996 Base-Backbone interact. energy: -1.663 local terms energy: -771.560007 where: bonds (distance) C4'-P energy: -146.086 bonds (distance) P-C4' energy: -150.803 flat angles C4'-P-C4' energy: -176.568 flat angles P-C4'-P energy: -109.353 tors. eta vs tors. theta energy: -188.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1939.865195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.865195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.865195 (E_RNA) where: Base-Base interactions energy: -1235.071 where: short stacking energy: -549.102 Base-Backbone interact. energy: -2.999 local terms energy: -701.795313 where: bonds (distance) C4'-P energy: -143.231 bonds (distance) P-C4' energy: -145.885 flat angles C4'-P-C4' energy: -164.031 flat angles P-C4'-P energy: -109.528 tors. eta vs tors. theta energy: -139.120 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: 129 Temperature: 1.200000 Total energy: -1617.423315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.423315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.423315 (E_RNA) where: Base-Base interactions energy: -1014.142 where: short stacking energy: -440.417 Base-Backbone interact. energy: 8.417 local terms energy: -611.698672 where: bonds (distance) C4'-P energy: -155.425 bonds (distance) P-C4' energy: -137.441 flat angles C4'-P-C4' energy: -151.494 flat angles P-C4'-P energy: -92.114 tors. eta vs tors. theta energy: -75.224 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: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1536.481049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.481049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.481049 (E_RNA) where: Base-Base interactions energy: -936.281 where: short stacking energy: -459.502 Base-Backbone interact. energy: 2.500 local terms energy: -602.700054 where: bonds (distance) C4'-P energy: -136.776 bonds (distance) P-C4' energy: -161.028 flat angles C4'-P-C4' energy: -131.843 flat angles P-C4'-P energy: -69.148 tors. eta vs tors. theta energy: -103.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -990.196236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.196236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.196236 (E_RNA) where: Base-Base interactions energy: -516.181 where: short stacking energy: -264.458 Base-Backbone interact. energy: 1.973 local terms energy: -475.988544 where: bonds (distance) C4'-P energy: -120.167 bonds (distance) P-C4' energy: -143.160 flat angles C4'-P-C4' energy: -131.428 flat angles P-C4'-P energy: -62.062 tors. eta vs tors. theta energy: -19.172 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: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -787.326896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.326896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.326896 (E_RNA) where: Base-Base interactions energy: -359.091 where: short stacking energy: -214.730 Base-Backbone interact. energy: 3.090 local terms energy: -431.326225 where: bonds (distance) C4'-P energy: -141.256 bonds (distance) P-C4' energy: -146.689 flat angles C4'-P-C4' energy: -90.716 flat angles P-C4'-P energy: -58.777 tors. eta vs tors. theta energy: 6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2796.455793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.455793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.455793 (E_RNA) where: Base-Base interactions energy: -1909.098 where: short stacking energy: -788.270 Base-Backbone interact. energy: -4.331 local terms energy: -883.025926 where: bonds (distance) C4'-P energy: -165.436 bonds (distance) P-C4' energy: -167.344 flat angles C4'-P-C4' energy: -193.535 flat angles P-C4'-P energy: -119.721 tors. eta vs tors. theta energy: -236.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2696.316893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.316893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.316893 (E_RNA) where: Base-Base interactions energy: -1837.275 where: short stacking energy: -804.962 Base-Backbone interact. energy: -3.139 local terms energy: -855.903039 where: bonds (distance) C4'-P energy: -170.882 bonds (distance) P-C4' energy: -153.972 flat angles C4'-P-C4' energy: -177.759 flat angles P-C4'-P energy: -124.358 tors. eta vs tors. theta energy: -228.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2600.296157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.296157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.296157 (E_RNA) where: Base-Base interactions energy: -1785.454 where: short stacking energy: -744.589 Base-Backbone interact. energy: -1.705 local terms energy: -813.136982 where: bonds (distance) C4'-P energy: -152.823 bonds (distance) P-C4' energy: -153.311 flat angles C4'-P-C4' energy: -170.100 flat angles P-C4'-P energy: -115.365 tors. eta vs tors. theta energy: -221.538 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: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2295.977151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.977151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.977151 (E_RNA) where: Base-Base interactions energy: -1546.196 where: short stacking energy: -646.914 Base-Backbone interact. energy: -4.365 local terms energy: -745.416831 where: bonds (distance) C4'-P energy: -149.190 bonds (distance) P-C4' energy: -139.965 flat angles C4'-P-C4' energy: -167.981 flat angles P-C4'-P energy: -118.184 tors. eta vs tors. theta energy: -170.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2254.435265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.435265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.435265 (E_RNA) where: Base-Base interactions energy: -1524.096 where: short stacking energy: -664.937 Base-Backbone interact. energy: 2.357 local terms energy: -732.695854 where: bonds (distance) C4'-P energy: -155.554 bonds (distance) P-C4' energy: -128.669 flat angles C4'-P-C4' energy: -151.664 flat angles P-C4'-P energy: -115.312 tors. eta vs tors. theta energy: -181.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1954.514310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.514310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.514310 (E_RNA) where: Base-Base interactions energy: -1264.764 where: short stacking energy: -572.448 Base-Backbone interact. energy: -4.257 local terms energy: -685.494016 where: bonds (distance) C4'-P energy: -148.186 bonds (distance) P-C4' energy: -146.238 flat angles C4'-P-C4' energy: -165.662 flat angles P-C4'-P energy: -97.730 tors. eta vs tors. theta energy: -127.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1643.025008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.025008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.025008 (E_RNA) where: Base-Base interactions energy: -1016.036 where: short stacking energy: -479.842 Base-Backbone interact. energy: -0.047 local terms energy: -626.942831 where: bonds (distance) C4'-P energy: -124.823 bonds (distance) P-C4' energy: -149.958 flat angles C4'-P-C4' energy: -160.799 flat angles P-C4'-P energy: -87.592 tors. eta vs tors. theta energy: -103.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1460.388555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.388555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.388555 (E_RNA) where: Base-Base interactions energy: -884.699 where: short stacking energy: -415.880 Base-Backbone interact. energy: -2.190 local terms energy: -573.500103 where: bonds (distance) C4'-P energy: -151.106 bonds (distance) P-C4' energy: -159.866 flat angles C4'-P-C4' energy: -129.842 flat angles P-C4'-P energy: -63.348 tors. eta vs tors. theta energy: -69.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1053.655231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.655231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.655231 (E_RNA) where: Base-Base interactions energy: -538.587 where: short stacking energy: -278.451 Base-Backbone interact. energy: 1.884 local terms energy: -516.952144 where: bonds (distance) C4'-P energy: -135.669 bonds (distance) P-C4' energy: -138.528 flat angles C4'-P-C4' energy: -133.477 flat angles P-C4'-P energy: -85.725 tors. eta vs tors. theta energy: -23.553 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: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -762.149431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.149431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.149431 (E_RNA) where: Base-Base interactions energy: -353.550 where: short stacking energy: -206.145 Base-Backbone interact. energy: 2.761 local terms energy: -411.360093 where: bonds (distance) C4'-P energy: -123.834 bonds (distance) P-C4' energy: -148.928 flat angles C4'-P-C4' energy: -117.809 flat angles P-C4'-P energy: -60.385 tors. eta vs tors. theta energy: 39.595 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: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2816.854612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.854612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.854612 (E_RNA) where: Base-Base interactions energy: -1910.049 where: short stacking energy: -785.639 Base-Backbone interact. energy: -4.226 local terms energy: -902.579590 where: bonds (distance) C4'-P energy: -178.771 bonds (distance) P-C4' energy: -175.802 flat angles C4'-P-C4' energy: -187.181 flat angles P-C4'-P energy: -126.392 tors. eta vs tors. theta energy: -234.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2699.098279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.098279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.098279 (E_RNA) where: Base-Base interactions energy: -1831.945 where: short stacking energy: -774.986 Base-Backbone interact. energy: 2.472 local terms energy: -869.624889 where: bonds (distance) C4'-P energy: -175.904 bonds (distance) P-C4' energy: -165.898 flat angles C4'-P-C4' energy: -170.601 flat angles P-C4'-P energy: -117.561 tors. eta vs tors. theta energy: -239.661 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: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2577.540760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.540760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.540760 (E_RNA) where: Base-Base interactions energy: -1772.499 where: short stacking energy: -726.074 Base-Backbone interact. energy: -1.681 local terms energy: -803.360858 where: bonds (distance) C4'-P energy: -163.714 bonds (distance) P-C4' energy: -147.749 flat angles C4'-P-C4' energy: -182.003 flat angles P-C4'-P energy: -117.390 tors. eta vs tors. theta energy: -192.506 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: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2346.694831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.694831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.694831 (E_RNA) where: Base-Base interactions energy: -1564.534 where: short stacking energy: -678.663 Base-Backbone interact. energy: -1.793 local terms energy: -780.367792 where: bonds (distance) C4'-P energy: -169.328 bonds (distance) P-C4' energy: -152.808 flat angles C4'-P-C4' energy: -164.633 flat angles P-C4'-P energy: -95.510 tors. eta vs tors. theta energy: -198.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2258.294212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.294212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.294212 (E_RNA) where: Base-Base interactions energy: -1520.720 where: short stacking energy: -694.249 Base-Backbone interact. energy: -4.600 local terms energy: -732.974263 where: bonds (distance) C4'-P energy: -121.691 bonds (distance) P-C4' energy: -144.183 flat angles C4'-P-C4' energy: -164.552 flat angles P-C4'-P energy: -111.130 tors. eta vs tors. theta energy: -191.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1904.690155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.690155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.690155 (E_RNA) where: Base-Base interactions energy: -1226.219 where: short stacking energy: -568.753 Base-Backbone interact. energy: 2.026 local terms energy: -680.497033 where: bonds (distance) C4'-P energy: -159.566 bonds (distance) P-C4' energy: -155.964 flat angles C4'-P-C4' energy: -153.834 flat angles P-C4'-P energy: -81.233 tors. eta vs tors. theta energy: -129.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1651.572736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.572736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.572736 (E_RNA) where: Base-Base interactions energy: -1030.922 where: short stacking energy: -469.332 Base-Backbone interact. energy: -0.973 local terms energy: -619.677451 where: bonds (distance) C4'-P energy: -130.123 bonds (distance) P-C4' energy: -142.441 flat angles C4'-P-C4' energy: -152.967 flat angles P-C4'-P energy: -87.725 tors. eta vs tors. theta energy: -106.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1458.904158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.904158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.904158 (E_RNA) where: Base-Base interactions energy: -893.325 where: short stacking energy: -413.620 Base-Backbone interact. energy: 4.684 local terms energy: -570.263107 where: bonds (distance) C4'-P energy: -147.935 bonds (distance) P-C4' energy: -148.976 flat angles C4'-P-C4' energy: -134.655 flat angles P-C4'-P energy: -73.360 tors. eta vs tors. theta energy: -65.336 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: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1034.961520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.961520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.961520 (E_RNA) where: Base-Base interactions energy: -544.807 where: short stacking energy: -284.115 Base-Backbone interact. energy: -0.586 local terms energy: -489.567847 where: bonds (distance) C4'-P energy: -155.946 bonds (distance) P-C4' energy: -127.884 flat angles C4'-P-C4' energy: -115.287 flat angles P-C4'-P energy: -88.146 tors. eta vs tors. theta energy: -2.305 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: 131 Temperature: 1.350000 Total energy: -771.817587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.817587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.817587 (E_RNA) where: Base-Base interactions energy: -352.471 where: short stacking energy: -205.100 Base-Backbone interact. energy: -0.062 local terms energy: -419.284678 where: bonds (distance) C4'-P energy: -130.800 bonds (distance) P-C4' energy: -162.417 flat angles C4'-P-C4' energy: -90.703 flat angles P-C4'-P energy: -53.150 tors. eta vs tors. theta energy: 17.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2850.299262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.299262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.299262 (E_RNA) where: Base-Base interactions energy: -1947.536 where: short stacking energy: -802.708 Base-Backbone interact. energy: -1.917 local terms energy: -900.846169 where: bonds (distance) C4'-P energy: -182.041 bonds (distance) P-C4' energy: -159.874 flat angles C4'-P-C4' energy: -190.719 flat angles P-C4'-P energy: -125.176 tors. eta vs tors. theta energy: -243.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2673.760937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.760937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.760937 (E_RNA) where: Base-Base interactions energy: -1819.209 where: short stacking energy: -783.130 Base-Backbone interact. energy: -3.172 local terms energy: -851.379664 where: bonds (distance) C4'-P energy: -151.087 bonds (distance) P-C4' energy: -167.402 flat angles C4'-P-C4' energy: -175.272 flat angles P-C4'-P energy: -116.651 tors. eta vs tors. theta energy: -240.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2573.230999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.230999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.230999 (E_RNA) where: Base-Base interactions energy: -1763.969 where: short stacking energy: -732.948 Base-Backbone interact. energy: -3.352 local terms energy: -805.910827 where: bonds (distance) C4'-P energy: -159.448 bonds (distance) P-C4' energy: -156.534 flat angles C4'-P-C4' energy: -177.767 flat angles P-C4'-P energy: -114.788 tors. eta vs tors. theta energy: -197.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2314.422397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.422397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.422397 (E_RNA) where: Base-Base interactions energy: -1565.186 where: short stacking energy: -645.328 Base-Backbone interact. energy: -0.974 local terms energy: -748.263287 where: bonds (distance) C4'-P energy: -160.502 bonds (distance) P-C4' energy: -138.443 flat angles C4'-P-C4' energy: -154.307 flat angles P-C4'-P energy: -112.782 tors. eta vs tors. theta energy: -182.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2219.954983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.954983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.954983 (E_RNA) where: Base-Base interactions energy: -1456.329 where: short stacking energy: -684.246 Base-Backbone interact. energy: -3.127 local terms energy: -760.498338 where: bonds (distance) C4'-P energy: -151.600 bonds (distance) P-C4' energy: -150.460 flat angles C4'-P-C4' energy: -176.960 flat angles P-C4'-P energy: -89.939 tors. eta vs tors. theta energy: -191.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1908.754217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.754217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.754217 (E_RNA) where: Base-Base interactions energy: -1223.320 where: short stacking energy: -551.242 Base-Backbone interact. energy: -1.761 local terms energy: -683.672865 where: bonds (distance) C4'-P energy: -137.640 bonds (distance) P-C4' energy: -153.095 flat angles C4'-P-C4' energy: -158.198 flat angles P-C4'-P energy: -95.783 tors. eta vs tors. theta energy: -138.956 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: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1651.647903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.647903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.647903 (E_RNA) where: Base-Base interactions energy: -1047.165 where: short stacking energy: -469.372 Base-Backbone interact. energy: -0.928 local terms energy: -603.555389 where: bonds (distance) C4'-P energy: -126.122 bonds (distance) P-C4' energy: -134.552 flat angles C4'-P-C4' energy: -152.623 flat angles P-C4'-P energy: -88.369 tors. eta vs tors. theta energy: -101.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1443.717797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.717797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.717797 (E_RNA) where: Base-Base interactions energy: -881.035 where: short stacking energy: -417.473 Base-Backbone interact. energy: -5.377 local terms energy: -557.305485 where: bonds (distance) C4'-P energy: -145.576 bonds (distance) P-C4' energy: -123.927 flat angles C4'-P-C4' energy: -141.367 flat angles P-C4'-P energy: -62.267 tors. eta vs tors. theta energy: -84.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1102.857610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.857610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.857610 (E_RNA) where: Base-Base interactions energy: -605.233 where: short stacking energy: -307.741 Base-Backbone interact. energy: 7.944 local terms energy: -505.568684 where: bonds (distance) C4'-P energy: -132.195 bonds (distance) P-C4' energy: -133.612 flat angles C4'-P-C4' energy: -145.514 flat angles P-C4'-P energy: -77.001 tors. eta vs tors. theta energy: -17.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -763.224434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.224434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.224434 (E_RNA) where: Base-Base interactions energy: -320.221 where: short stacking energy: -208.153 Base-Backbone interact. energy: -3.485 local terms energy: -439.519007 where: bonds (distance) C4'-P energy: -120.879 bonds (distance) P-C4' energy: -143.820 flat angles C4'-P-C4' energy: -109.742 flat angles P-C4'-P energy: -80.441 tors. eta vs tors. theta energy: 15.363 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: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2876.294145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.294145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.294145 (E_RNA) where: Base-Base interactions energy: -1994.216 where: short stacking energy: -819.070 Base-Backbone interact. energy: -1.865 local terms energy: -880.212393 where: bonds (distance) C4'-P energy: -165.209 bonds (distance) P-C4' energy: -186.198 flat angles C4'-P-C4' energy: -181.274 flat angles P-C4'-P energy: -107.846 tors. eta vs tors. theta energy: -239.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2700.798253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.798253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.798253 (E_RNA) where: Base-Base interactions energy: -1827.806 where: short stacking energy: -775.357 Base-Backbone interact. energy: -3.755 local terms energy: -869.237250 where: bonds (distance) C4'-P energy: -166.723 bonds (distance) P-C4' energy: -172.056 flat angles C4'-P-C4' energy: -184.754 flat angles P-C4'-P energy: -117.402 tors. eta vs tors. theta energy: -228.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2567.064969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.064969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.064969 (E_RNA) where: Base-Base interactions energy: -1752.788 where: short stacking energy: -725.798 Base-Backbone interact. energy: -0.866 local terms energy: -813.410783 where: bonds (distance) C4'-P energy: -142.611 bonds (distance) P-C4' energy: -158.394 flat angles C4'-P-C4' energy: -179.829 flat angles P-C4'-P energy: -130.882 tors. eta vs tors. theta energy: -201.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2330.616764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.616764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.616764 (E_RNA) where: Base-Base interactions energy: -1528.831 where: short stacking energy: -663.345 Base-Backbone interact. energy: -1.552 local terms energy: -800.234380 where: bonds (distance) C4'-P energy: -136.003 bonds (distance) P-C4' energy: -171.093 flat angles C4'-P-C4' energy: -171.779 flat angles P-C4'-P energy: -123.408 tors. eta vs tors. theta energy: -197.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2248.315899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.315899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.315899 (E_RNA) where: Base-Base interactions energy: -1505.529 where: short stacking energy: -636.713 Base-Backbone interact. energy: 2.717 local terms energy: -745.503872 where: bonds (distance) C4'-P energy: -154.987 bonds (distance) P-C4' energy: -139.412 flat angles C4'-P-C4' energy: -164.441 flat angles P-C4'-P energy: -108.590 tors. eta vs tors. theta energy: -178.075 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: 4 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1918.757437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.757437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.757437 (E_RNA) where: Base-Base interactions energy: -1197.386 where: short stacking energy: -540.907 Base-Backbone interact. energy: -1.155 local terms energy: -720.216555 where: bonds (distance) C4'-P energy: -139.404 bonds (distance) P-C4' energy: -164.813 flat angles C4'-P-C4' energy: -164.231 flat angles P-C4'-P energy: -108.692 tors. eta vs tors. theta energy: -143.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1727.526824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.526824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.526824 (E_RNA) where: Base-Base interactions energy: -1089.743 where: short stacking energy: -472.408 Base-Backbone interact. energy: -3.875 local terms energy: -633.909054 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -151.709 flat angles C4'-P-C4' energy: -136.765 flat angles P-C4'-P energy: -109.506 tors. eta vs tors. theta energy: -97.975 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: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1429.925210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.925210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.925210 (E_RNA) where: Base-Base interactions energy: -867.706 where: short stacking energy: -439.489 Base-Backbone interact. energy: -2.596 local terms energy: -559.622962 where: bonds (distance) C4'-P energy: -117.736 bonds (distance) P-C4' energy: -129.288 flat angles C4'-P-C4' energy: -142.156 flat angles P-C4'-P energy: -79.521 tors. eta vs tors. theta energy: -90.921 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: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1109.687509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.687509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.687509 (E_RNA) where: Base-Base interactions energy: -646.378 where: short stacking energy: -289.503 Base-Backbone interact. energy: -3.844 local terms energy: -459.465595 where: bonds (distance) C4'-P energy: -132.783 bonds (distance) P-C4' energy: -131.727 flat angles C4'-P-C4' energy: -115.540 flat angles P-C4'-P energy: -69.804 tors. eta vs tors. theta energy: -9.611 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: 133 Temperature: 1.350000 Total energy: -808.260892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.260892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.260892 (E_RNA) where: Base-Base interactions energy: -419.058 where: short stacking energy: -231.260 Base-Backbone interact. energy: -0.357 local terms energy: -388.846308 where: bonds (distance) C4'-P energy: -98.993 bonds (distance) P-C4' energy: -121.159 flat angles C4'-P-C4' energy: -128.459 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: 23.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2833.048490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.048490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.048490 (E_RNA) where: Base-Base interactions energy: -1942.597 where: short stacking energy: -782.309 Base-Backbone interact. energy: -5.690 local terms energy: -884.761218 where: bonds (distance) C4'-P energy: -168.219 bonds (distance) P-C4' energy: -167.972 flat angles C4'-P-C4' energy: -195.414 flat angles P-C4'-P energy: -113.425 tors. eta vs tors. theta energy: -239.732 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: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2687.770422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.770422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.770422 (E_RNA) where: Base-Base interactions energy: -1837.105 where: short stacking energy: -774.055 Base-Backbone interact. energy: -1.842 local terms energy: -848.823061 where: bonds (distance) C4'-P energy: -153.231 bonds (distance) P-C4' energy: -152.170 flat angles C4'-P-C4' energy: -183.979 flat angles P-C4'-P energy: -136.935 tors. eta vs tors. theta energy: -222.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2549.317493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.317493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.317493 (E_RNA) where: Base-Base interactions energy: -1704.959 where: short stacking energy: -731.154 Base-Backbone interact. energy: -3.120 local terms energy: -841.238410 where: bonds (distance) C4'-P energy: -143.785 bonds (distance) P-C4' energy: -181.260 flat angles C4'-P-C4' energy: -190.646 flat angles P-C4'-P energy: -117.159 tors. eta vs tors. theta energy: -208.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2432.643654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.643654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.643654 (E_RNA) where: Base-Base interactions energy: -1627.830 where: short stacking energy: -694.669 Base-Backbone interact. energy: -2.234 local terms energy: -802.580089 where: bonds (distance) C4'-P energy: -142.036 bonds (distance) P-C4' energy: -164.075 flat angles C4'-P-C4' energy: -161.365 flat angles P-C4'-P energy: -127.244 tors. eta vs tors. theta energy: -207.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2308.258908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.258908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.258908 (E_RNA) where: Base-Base interactions energy: -1559.366 where: short stacking energy: -654.333 Base-Backbone interact. energy: -4.350 local terms energy: -744.543119 where: bonds (distance) C4'-P energy: -135.730 bonds (distance) P-C4' energy: -161.966 flat angles C4'-P-C4' energy: -157.790 flat angles P-C4'-P energy: -96.771 tors. eta vs tors. theta energy: -192.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1944.726207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.726207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.726207 (E_RNA) where: Base-Base interactions energy: -1252.629 where: short stacking energy: -569.198 Base-Backbone interact. energy: 1.292 local terms energy: -693.389399 where: bonds (distance) C4'-P energy: -137.882 bonds (distance) P-C4' energy: -156.756 flat angles C4'-P-C4' energy: -159.624 flat angles P-C4'-P energy: -99.568 tors. eta vs tors. theta energy: -139.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1784.756659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.756659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.756659 (E_RNA) where: Base-Base interactions energy: -1139.347 where: short stacking energy: -496.739 Base-Backbone interact. energy: -3.983 local terms energy: -641.426752 where: bonds (distance) C4'-P energy: -137.690 bonds (distance) P-C4' energy: -140.952 flat angles C4'-P-C4' energy: -155.626 flat angles P-C4'-P energy: -101.657 tors. eta vs tors. theta energy: -105.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1407.728479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.728479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.728479 (E_RNA) where: Base-Base interactions energy: -850.536 where: short stacking energy: -418.129 Base-Backbone interact. energy: 1.982 local terms energy: -559.174866 where: bonds (distance) C4'-P energy: -149.237 bonds (distance) P-C4' energy: -137.593 flat angles C4'-P-C4' energy: -139.741 flat angles P-C4'-P energy: -56.857 tors. eta vs tors. theta energy: -75.747 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: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1191.520163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.520163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.520163 (E_RNA) where: Base-Base interactions energy: -676.071 where: short stacking energy: -348.782 Base-Backbone interact. energy: -2.175 local terms energy: -513.274096 where: bonds (distance) C4'-P energy: -114.743 bonds (distance) P-C4' energy: -136.253 flat angles C4'-P-C4' energy: -133.818 flat angles P-C4'-P energy: -86.843 tors. eta vs tors. theta energy: -41.617 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: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -921.211867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.211867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.211867 (E_RNA) where: Base-Base interactions energy: -480.592 where: short stacking energy: -241.078 Base-Backbone interact. energy: 0.266 local terms energy: -440.885267 where: bonds (distance) C4'-P energy: -143.427 bonds (distance) P-C4' energy: -115.933 flat angles C4'-P-C4' energy: -144.293 flat angles P-C4'-P energy: -56.111 tors. eta vs tors. theta energy: 18.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2773.139861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.139861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.139861 (E_RNA) where: Base-Base interactions energy: -1878.756 where: short stacking energy: -778.473 Base-Backbone interact. energy: -5.219 local terms energy: -889.164951 where: bonds (distance) C4'-P energy: -177.423 bonds (distance) P-C4' energy: -165.834 flat angles C4'-P-C4' energy: -195.201 flat angles P-C4'-P energy: -115.123 tors. eta vs tors. theta energy: -235.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2712.480554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.480554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.480554 (E_RNA) where: Base-Base interactions energy: -1856.001 where: short stacking energy: -783.908 Base-Backbone interact. energy: -3.453 local terms energy: -853.026441 where: bonds (distance) C4'-P energy: -161.880 bonds (distance) P-C4' energy: -138.804 flat angles C4'-P-C4' energy: -190.984 flat angles P-C4'-P energy: -126.817 tors. eta vs tors. theta energy: -234.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2527.012618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.012618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.012618 (E_RNA) where: Base-Base interactions energy: -1716.543 where: short stacking energy: -711.995 Base-Backbone interact. energy: -3.655 local terms energy: -806.814629 where: bonds (distance) C4'-P energy: -151.543 bonds (distance) P-C4' energy: -143.633 flat angles C4'-P-C4' energy: -180.647 flat angles P-C4'-P energy: -114.848 tors. eta vs tors. theta energy: -216.144 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: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2402.869167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.869167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.869167 (E_RNA) where: Base-Base interactions energy: -1592.604 where: short stacking energy: -723.667 Base-Backbone interact. energy: -1.300 local terms energy: -808.965474 where: bonds (distance) C4'-P energy: -145.594 bonds (distance) P-C4' energy: -161.834 flat angles C4'-P-C4' energy: -157.194 flat angles P-C4'-P energy: -112.069 tors. eta vs tors. theta energy: -232.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2270.879137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.879137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.879137 (E_RNA) where: Base-Base interactions energy: -1518.855 where: short stacking energy: -636.192 Base-Backbone interact. energy: -5.662 local terms energy: -746.362970 where: bonds (distance) C4'-P energy: -148.588 bonds (distance) P-C4' energy: -172.082 flat angles C4'-P-C4' energy: -148.792 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -172.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2018.353767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.353767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.353767 (E_RNA) where: Base-Base interactions energy: -1310.934 where: short stacking energy: -591.058 Base-Backbone interact. energy: 0.761 local terms energy: -708.180563 where: bonds (distance) C4'-P energy: -134.876 bonds (distance) P-C4' energy: -150.850 flat angles C4'-P-C4' energy: -164.339 flat angles P-C4'-P energy: -97.646 tors. eta vs tors. theta energy: -160.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1733.540088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.540088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.540088 (E_RNA) where: Base-Base interactions energy: -1163.254 where: short stacking energy: -484.707 Base-Backbone interact. energy: -2.811 local terms energy: -567.475260 where: bonds (distance) C4'-P energy: -124.563 bonds (distance) P-C4' energy: -115.173 flat angles C4'-P-C4' energy: -155.460 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -101.753 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: 8, replica: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1477.507639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.507639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.507639 (E_RNA) where: Base-Base interactions energy: -910.212 where: short stacking energy: -438.346 Base-Backbone interact. energy: -1.604 local terms energy: -565.692021 where: bonds (distance) C4'-P energy: -131.507 bonds (distance) P-C4' energy: -141.429 flat angles C4'-P-C4' energy: -124.785 flat angles P-C4'-P energy: -85.746 tors. eta vs tors. theta energy: -82.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1157.120169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.120169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.120169 (E_RNA) where: Base-Base interactions energy: -649.678 where: short stacking energy: -284.588 Base-Backbone interact. energy: -0.721 local terms energy: -506.721112 where: bonds (distance) C4'-P energy: -142.779 bonds (distance) P-C4' energy: -150.751 flat angles C4'-P-C4' energy: -104.451 flat angles P-C4'-P energy: -82.714 tors. eta vs tors. theta energy: -26.027 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: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -979.394709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.394709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.394709 (E_RNA) where: Base-Base interactions energy: -526.786 where: short stacking energy: -252.685 Base-Backbone interact. energy: -1.098 local terms energy: -451.511069 where: bonds (distance) C4'-P energy: -134.459 bonds (distance) P-C4' energy: -130.467 flat angles C4'-P-C4' energy: -119.618 flat angles P-C4'-P energy: -60.696 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2805.770807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.770807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.770807 (E_RNA) where: Base-Base interactions energy: -1899.688 where: short stacking energy: -782.802 Base-Backbone interact. energy: -4.242 local terms energy: -901.841408 where: bonds (distance) C4'-P energy: -160.554 bonds (distance) P-C4' energy: -176.735 flat angles C4'-P-C4' energy: -196.123 flat angles P-C4'-P energy: -129.093 tors. eta vs tors. theta energy: -239.337 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: 136 Temperature: 0.950000 Total energy: -2731.695878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.695878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.695878 (E_RNA) where: Base-Base interactions energy: -1841.439 where: short stacking energy: -779.142 Base-Backbone interact. energy: -3.846 local terms energy: -886.410296 where: bonds (distance) C4'-P energy: -169.904 bonds (distance) P-C4' energy: -170.240 flat angles C4'-P-C4' energy: -183.985 flat angles P-C4'-P energy: -133.491 tors. eta vs tors. theta energy: -228.790 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: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2532.134936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.134936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.134936 (E_RNA) where: Base-Base interactions energy: -1681.318 where: short stacking energy: -724.374 Base-Backbone interact. energy: -4.718 local terms energy: -846.098763 where: bonds (distance) C4'-P energy: -154.110 bonds (distance) P-C4' energy: -166.555 flat angles C4'-P-C4' energy: -190.667 flat angles P-C4'-P energy: -129.765 tors. eta vs tors. theta energy: -205.002 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: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2401.143048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.143048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.143048 (E_RNA) where: Base-Base interactions energy: -1592.735 where: short stacking energy: -703.493 Base-Backbone interact. energy: -2.439 local terms energy: -805.968215 where: bonds (distance) C4'-P energy: -139.147 bonds (distance) P-C4' energy: -155.078 flat angles C4'-P-C4' energy: -178.292 flat angles P-C4'-P energy: -123.578 tors. eta vs tors. theta energy: -209.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2267.106910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.106910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.106910 (E_RNA) where: Base-Base interactions energy: -1538.256 where: short stacking energy: -634.102 Base-Backbone interact. energy: -5.214 local terms energy: -723.637351 where: bonds (distance) C4'-P energy: -133.504 bonds (distance) P-C4' energy: -158.648 flat angles C4'-P-C4' energy: -160.600 flat angles P-C4'-P energy: -112.673 tors. eta vs tors. theta energy: -158.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1988.520300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.520300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.520300 (E_RNA) where: Base-Base interactions energy: -1312.915 where: short stacking energy: -575.145 Base-Backbone interact. energy: -0.553 local terms energy: -675.051738 where: bonds (distance) C4'-P energy: -143.328 bonds (distance) P-C4' energy: -137.255 flat angles C4'-P-C4' energy: -155.899 flat angles P-C4'-P energy: -76.027 tors. eta vs tors. theta energy: -162.543 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: 136 Temperature: 1.200000 Total energy: -1745.559971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.559971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.559971 (E_RNA) where: Base-Base interactions energy: -1139.635 where: short stacking energy: -491.844 Base-Backbone interact. energy: -5.649 local terms energy: -600.276070 where: bonds (distance) C4'-P energy: -121.110 bonds (distance) P-C4' energy: -143.778 flat angles C4'-P-C4' energy: -146.903 flat angles P-C4'-P energy: -78.289 tors. eta vs tors. theta energy: -110.196 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: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1447.366666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.366666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.366666 (E_RNA) where: Base-Base interactions energy: -851.738 where: short stacking energy: -410.262 Base-Backbone interact. energy: -2.607 local terms energy: -593.021827 where: bonds (distance) C4'-P energy: -135.556 bonds (distance) P-C4' energy: -157.930 flat angles C4'-P-C4' energy: -132.387 flat angles P-C4'-P energy: -91.519 tors. eta vs tors. theta energy: -75.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1111.050731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.050731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.050731 (E_RNA) where: Base-Base interactions energy: -642.651 where: short stacking energy: -332.172 Base-Backbone interact. energy: -3.448 local terms energy: -464.951285 where: bonds (distance) C4'-P energy: -127.490 bonds (distance) P-C4' energy: -115.983 flat angles C4'-P-C4' energy: -120.588 flat angles P-C4'-P energy: -94.376 tors. eta vs tors. theta energy: -6.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -989.881049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.881049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.881049 (E_RNA) where: Base-Base interactions energy: -566.622 where: short stacking energy: -283.378 Base-Backbone interact. energy: -2.077 local terms energy: -421.181893 where: bonds (distance) C4'-P energy: -111.542 bonds (distance) P-C4' energy: -109.471 flat angles C4'-P-C4' energy: -121.819 flat angles P-C4'-P energy: -77.478 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2783.968703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.968703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.968703 (E_RNA) where: Base-Base interactions energy: -1903.688 where: short stacking energy: -790.062 Base-Backbone interact. energy: -5.281 local terms energy: -875.000189 where: bonds (distance) C4'-P energy: -156.624 bonds (distance) P-C4' energy: -170.301 flat angles C4'-P-C4' energy: -190.209 flat angles P-C4'-P energy: -125.994 tors. eta vs tors. theta energy: -231.872 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: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2723.167091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.167091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.167091 (E_RNA) where: Base-Base interactions energy: -1849.259 where: short stacking energy: -797.437 Base-Backbone interact. energy: -5.362 local terms energy: -868.545931 where: bonds (distance) C4'-P energy: -167.971 bonds (distance) P-C4' energy: -167.442 flat angles C4'-P-C4' energy: -185.438 flat angles P-C4'-P energy: -118.213 tors. eta vs tors. theta energy: -229.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2513.890388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.890388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.890388 (E_RNA) where: Base-Base interactions energy: -1703.921 where: short stacking energy: -738.675 Base-Backbone interact. energy: -2.060 local terms energy: -807.909574 where: bonds (distance) C4'-P energy: -138.498 bonds (distance) P-C4' energy: -157.475 flat angles C4'-P-C4' energy: -190.638 flat angles P-C4'-P energy: -119.814 tors. eta vs tors. theta energy: -201.484 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: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2430.257030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.257030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.257030 (E_RNA) where: Base-Base interactions energy: -1653.613 where: short stacking energy: -730.374 Base-Backbone interact. energy: -1.389 local terms energy: -775.255564 where: bonds (distance) C4'-P energy: -138.292 bonds (distance) P-C4' energy: -156.475 flat angles C4'-P-C4' energy: -179.853 flat angles P-C4'-P energy: -90.276 tors. eta vs tors. theta energy: -210.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2265.702902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.702902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.702902 (E_RNA) where: Base-Base interactions energy: -1491.037 where: short stacking energy: -640.912 Base-Backbone interact. energy: 0.436 local terms energy: -775.101931 where: bonds (distance) C4'-P energy: -156.126 bonds (distance) P-C4' energy: -157.789 flat angles C4'-P-C4' energy: -168.454 flat angles P-C4'-P energy: -118.090 tors. eta vs tors. theta energy: -174.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2009.273233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.273233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.273233 (E_RNA) where: Base-Base interactions energy: -1304.869 where: short stacking energy: -576.709 Base-Backbone interact. energy: 6.008 local terms energy: -710.411929 where: bonds (distance) C4'-P energy: -147.516 bonds (distance) P-C4' energy: -148.608 flat angles C4'-P-C4' energy: -167.075 flat angles P-C4'-P energy: -91.070 tors. eta vs tors. theta energy: -156.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1706.726386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.726386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.726386 (E_RNA) where: Base-Base interactions energy: -1102.500 where: short stacking energy: -488.419 Base-Backbone interact. energy: -4.772 local terms energy: -599.454768 where: bonds (distance) C4'-P energy: -139.292 bonds (distance) P-C4' energy: -134.192 flat angles C4'-P-C4' energy: -135.281 flat angles P-C4'-P energy: -98.488 tors. eta vs tors. theta energy: -92.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1447.141837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.141837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.141837 (E_RNA) where: Base-Base interactions energy: -871.168 where: short stacking energy: -410.292 Base-Backbone interact. energy: -3.605 local terms energy: -572.368903 where: bonds (distance) C4'-P energy: -138.804 bonds (distance) P-C4' energy: -145.174 flat angles C4'-P-C4' energy: -146.138 flat angles P-C4'-P energy: -74.063 tors. eta vs tors. theta energy: -68.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1095.920883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.920883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.920883 (E_RNA) where: Base-Base interactions energy: -588.567 where: short stacking energy: -332.616 Base-Backbone interact. energy: -2.769 local terms energy: -504.584279 where: bonds (distance) C4'-P energy: -137.041 bonds (distance) P-C4' energy: -132.916 flat angles C4'-P-C4' energy: -127.753 flat angles P-C4'-P energy: -85.978 tors. eta vs tors. theta energy: -20.896 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: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -950.069884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.069884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.069884 (E_RNA) where: Base-Base interactions energy: -496.789 where: short stacking energy: -239.939 Base-Backbone interact. energy: 2.519 local terms energy: -455.799744 where: bonds (distance) C4'-P energy: -137.350 bonds (distance) P-C4' energy: -136.916 flat angles C4'-P-C4' energy: -102.874 flat angles P-C4'-P energy: -77.547 tors. eta vs tors. theta energy: -1.112 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: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2838.119332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.119332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.119332 (E_RNA) where: Base-Base interactions energy: -1961.900 where: short stacking energy: -830.575 Base-Backbone interact. energy: -4.266 local terms energy: -871.952917 where: bonds (distance) C4'-P energy: -162.815 bonds (distance) P-C4' energy: -157.140 flat angles C4'-P-C4' energy: -184.547 flat angles P-C4'-P energy: -116.460 tors. eta vs tors. theta energy: -250.990 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: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2777.147984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.147984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.147984 (E_RNA) where: Base-Base interactions energy: -1877.410 where: short stacking energy: -804.346 Base-Backbone interact. energy: -3.346 local terms energy: -896.392275 where: bonds (distance) C4'-P energy: -170.557 bonds (distance) P-C4' energy: -161.837 flat angles C4'-P-C4' energy: -195.553 flat angles P-C4'-P energy: -128.747 tors. eta vs tors. theta energy: -239.699 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: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2492.276693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.276693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.276693 (E_RNA) where: Base-Base interactions energy: -1665.441 where: short stacking energy: -694.897 Base-Backbone interact. energy: 1.129 local terms energy: -827.964640 where: bonds (distance) C4'-P energy: -156.429 bonds (distance) P-C4' energy: -157.844 flat angles C4'-P-C4' energy: -192.739 flat angles P-C4'-P energy: -120.137 tors. eta vs tors. theta energy: -200.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2429.166304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.166304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.166304 (E_RNA) where: Base-Base interactions energy: -1616.875 where: short stacking energy: -726.029 Base-Backbone interact. energy: -3.255 local terms energy: -809.036013 where: bonds (distance) C4'-P energy: -147.307 bonds (distance) P-C4' energy: -153.673 flat angles C4'-P-C4' energy: -179.566 flat angles P-C4'-P energy: -116.605 tors. eta vs tors. theta energy: -211.885 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: 7 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2275.098502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.098502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.098502 (E_RNA) where: Base-Base interactions energy: -1540.066 where: short stacking energy: -644.600 Base-Backbone interact. energy: 2.407 local terms energy: -737.438958 where: bonds (distance) C4'-P energy: -141.143 bonds (distance) P-C4' energy: -134.076 flat angles C4'-P-C4' energy: -172.388 flat angles P-C4'-P energy: -113.573 tors. eta vs tors. theta energy: -176.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1993.138205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.138205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.138205 (E_RNA) where: Base-Base interactions energy: -1321.591 where: short stacking energy: -590.563 Base-Backbone interact. energy: -0.249 local terms energy: -671.298787 where: bonds (distance) C4'-P energy: -125.727 bonds (distance) P-C4' energy: -134.633 flat angles C4'-P-C4' energy: -150.920 flat angles P-C4'-P energy: -82.182 tors. eta vs tors. theta energy: -177.836 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: 138 Temperature: 1.200000 Total energy: -1747.069583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.069583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.069583 (E_RNA) where: Base-Base interactions energy: -1120.883 where: short stacking energy: -504.568 Base-Backbone interact. energy: -2.619 local terms energy: -623.566829 where: bonds (distance) C4'-P energy: -148.036 bonds (distance) P-C4' energy: -135.995 flat angles C4'-P-C4' energy: -155.531 flat angles P-C4'-P energy: -77.812 tors. eta vs tors. theta energy: -106.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1438.370635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.370635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.370635 (E_RNA) where: Base-Base interactions energy: -865.442 where: short stacking energy: -438.080 Base-Backbone interact. energy: -0.486 local terms energy: -572.442039 where: bonds (distance) C4'-P energy: -122.268 bonds (distance) P-C4' energy: -148.800 flat angles C4'-P-C4' energy: -144.599 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -86.041 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: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1122.972189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.972189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.972189 (E_RNA) where: Base-Base interactions energy: -629.882 where: short stacking energy: -312.414 Base-Backbone interact. energy: 5.553 local terms energy: -498.643779 where: bonds (distance) C4'-P energy: -140.658 bonds (distance) P-C4' energy: -139.989 flat angles C4'-P-C4' energy: -118.413 flat angles P-C4'-P energy: -76.097 tors. eta vs tors. theta energy: -23.486 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: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -855.863765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.863765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.863765 (E_RNA) where: Base-Base interactions energy: -388.137 where: short stacking energy: -206.668 Base-Backbone interact. energy: 5.751 local terms energy: -473.476925 where: bonds (distance) C4'-P energy: -148.873 bonds (distance) P-C4' energy: -155.929 flat angles C4'-P-C4' energy: -97.214 flat angles P-C4'-P energy: -80.022 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: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2855.983486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.983486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.983486 (E_RNA) where: Base-Base interactions energy: -1974.398 where: short stacking energy: -834.931 Base-Backbone interact. energy: 2.936 local terms energy: -884.520934 where: bonds (distance) C4'-P energy: -160.782 bonds (distance) P-C4' energy: -169.998 flat angles C4'-P-C4' energy: -183.070 flat angles P-C4'-P energy: -125.877 tors. eta vs tors. theta energy: -244.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2750.896136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.896136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.896136 (E_RNA) where: Base-Base interactions energy: -1861.005 where: short stacking energy: -795.696 Base-Backbone interact. energy: -3.138 local terms energy: -886.752490 where: bonds (distance) C4'-P energy: -166.603 bonds (distance) P-C4' energy: -168.958 flat angles C4'-P-C4' energy: -174.666 flat angles P-C4'-P energy: -133.874 tors. eta vs tors. theta energy: -242.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2567.906392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.906392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.906392 (E_RNA) where: Base-Base interactions energy: -1714.296 where: short stacking energy: -749.769 Base-Backbone interact. energy: -3.396 local terms energy: -850.214657 where: bonds (distance) C4'-P energy: -148.984 bonds (distance) P-C4' energy: -160.369 flat angles C4'-P-C4' energy: -186.225 flat angles P-C4'-P energy: -136.668 tors. eta vs tors. theta energy: -217.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2369.053542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.053542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.053542 (E_RNA) where: Base-Base interactions energy: -1597.334 where: short stacking energy: -681.929 Base-Backbone interact. energy: -1.718 local terms energy: -770.001768 where: bonds (distance) C4'-P energy: -159.771 bonds (distance) P-C4' energy: -151.121 flat angles C4'-P-C4' energy: -174.489 flat angles P-C4'-P energy: -100.078 tors. eta vs tors. theta energy: -184.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2247.853388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.853388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.853388 (E_RNA) where: Base-Base interactions energy: -1523.398 where: short stacking energy: -632.207 Base-Backbone interact. energy: -4.672 local terms energy: -719.783655 where: bonds (distance) C4'-P energy: -140.998 bonds (distance) P-C4' energy: -135.645 flat angles C4'-P-C4' energy: -163.283 flat angles P-C4'-P energy: -106.445 tors. eta vs tors. theta energy: -173.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2001.636124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.636124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.636124 (E_RNA) where: Base-Base interactions energy: -1331.241 where: short stacking energy: -570.557 Base-Backbone interact. energy: -1.717 local terms energy: -668.678376 where: bonds (distance) C4'-P energy: -135.156 bonds (distance) P-C4' energy: -130.848 flat angles C4'-P-C4' energy: -157.909 flat angles P-C4'-P energy: -90.399 tors. eta vs tors. theta energy: -154.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1699.454917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.454917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.454917 (E_RNA) where: Base-Base interactions energy: -1075.633 where: short stacking energy: -524.718 Base-Backbone interact. energy: -0.938 local terms energy: -622.883584 where: bonds (distance) C4'-P energy: -132.759 bonds (distance) P-C4' energy: -149.485 flat angles C4'-P-C4' energy: -145.860 flat angles P-C4'-P energy: -87.706 tors. eta vs tors. theta energy: -107.073 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: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1404.502669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.502669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.502669 (E_RNA) where: Base-Base interactions energy: -841.579 where: short stacking energy: -394.407 Base-Backbone interact. energy: 1.377 local terms energy: -564.300356 where: bonds (distance) C4'-P energy: -135.500 bonds (distance) P-C4' energy: -152.179 flat angles C4'-P-C4' energy: -129.386 flat angles P-C4'-P energy: -80.517 tors. eta vs tors. theta energy: -66.718 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: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1178.848016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.848016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.848016 (E_RNA) where: Base-Base interactions energy: -664.383 where: short stacking energy: -365.127 Base-Backbone interact. energy: 3.094 local terms energy: -517.558908 where: bonds (distance) C4'-P energy: -125.859 bonds (distance) P-C4' energy: -159.292 flat angles C4'-P-C4' energy: -114.416 flat angles P-C4'-P energy: -70.340 tors. eta vs tors. theta energy: -47.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -850.786937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.786937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.786937 (E_RNA) where: Base-Base interactions energy: -410.795 where: short stacking energy: -227.868 Base-Backbone interact. energy: -3.785 local terms energy: -436.207043 where: bonds (distance) C4'-P energy: -131.796 bonds (distance) P-C4' energy: -135.858 flat angles C4'-P-C4' energy: -126.758 flat angles P-C4'-P energy: -41.805 tors. eta vs tors. theta energy: 0.011 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: 1, replica: 9 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2814.798883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.798883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.798883 (E_RNA) where: Base-Base interactions energy: -1939.416 where: short stacking energy: -829.485 Base-Backbone interact. energy: -2.060 local terms energy: -873.323072 where: bonds (distance) C4'-P energy: -157.162 bonds (distance) P-C4' energy: -157.024 flat angles C4'-P-C4' energy: -190.367 flat angles P-C4'-P energy: -119.967 tors. eta vs tors. theta energy: -248.804 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: 140 Temperature: 0.950000 Total energy: -2759.012451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.012451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.012451 (E_RNA) where: Base-Base interactions energy: -1872.653 where: short stacking energy: -806.658 Base-Backbone interact. energy: -2.091 local terms energy: -884.269299 where: bonds (distance) C4'-P energy: -160.298 bonds (distance) P-C4' energy: -168.212 flat angles C4'-P-C4' energy: -188.890 flat angles P-C4'-P energy: -127.737 tors. eta vs tors. theta energy: -239.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2512.524322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.524322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.524322 (E_RNA) where: Base-Base interactions energy: -1701.963 where: short stacking energy: -712.179 Base-Backbone interact. energy: -3.912 local terms energy: -806.649288 where: bonds (distance) C4'-P energy: -159.581 bonds (distance) P-C4' energy: -139.033 flat angles C4'-P-C4' energy: -180.249 flat angles P-C4'-P energy: -110.057 tors. eta vs tors. theta energy: -217.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2363.284062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.284062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.284062 (E_RNA) where: Base-Base interactions energy: -1572.992 where: short stacking energy: -694.158 Base-Backbone interact. energy: -2.466 local terms energy: -787.826238 where: bonds (distance) C4'-P energy: -136.628 bonds (distance) P-C4' energy: -167.070 flat angles C4'-P-C4' energy: -158.613 flat angles P-C4'-P energy: -125.904 tors. eta vs tors. theta energy: -199.610 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: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2248.513966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.513966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.513966 (E_RNA) where: Base-Base interactions energy: -1519.931 where: short stacking energy: -600.208 Base-Backbone interact. energy: -1.939 local terms energy: -726.644000 where: bonds (distance) C4'-P energy: -149.044 bonds (distance) P-C4' energy: -167.736 flat angles C4'-P-C4' energy: -139.479 flat angles P-C4'-P energy: -115.440 tors. eta vs tors. theta energy: -154.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1921.747599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.747599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.747599 (E_RNA) where: Base-Base interactions energy: -1247.151 where: short stacking energy: -543.468 Base-Backbone interact. energy: 5.788 local terms energy: -680.384700 where: bonds (distance) C4'-P energy: -140.868 bonds (distance) P-C4' energy: -148.433 flat angles C4'-P-C4' energy: -164.113 flat angles P-C4'-P energy: -85.573 tors. eta vs tors. theta energy: -141.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1705.387775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.387775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.387775 (E_RNA) where: Base-Base interactions energy: -1051.984 where: short stacking energy: -479.592 Base-Backbone interact. energy: 1.824 local terms energy: -655.227753 where: bonds (distance) C4'-P energy: -134.188 bonds (distance) P-C4' energy: -163.669 flat angles C4'-P-C4' energy: -162.441 flat angles P-C4'-P energy: -83.276 tors. eta vs tors. theta energy: -111.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1393.754796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.754796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.754796 (E_RNA) where: Base-Base interactions energy: -854.456 where: short stacking energy: -396.628 Base-Backbone interact. energy: -3.934 local terms energy: -535.365352 where: bonds (distance) C4'-P energy: -106.005 bonds (distance) P-C4' energy: -141.616 flat angles C4'-P-C4' energy: -129.051 flat angles P-C4'-P energy: -98.002 tors. eta vs tors. theta energy: -60.691 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: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1096.408567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.408567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.408567 (E_RNA) where: Base-Base interactions energy: -608.084 where: short stacking energy: -315.151 Base-Backbone interact. energy: -2.754 local terms energy: -485.570671 where: bonds (distance) C4'-P energy: -129.516 bonds (distance) P-C4' energy: -146.370 flat angles C4'-P-C4' energy: -129.253 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -14.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -818.149816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.149816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.149816 (E_RNA) where: Base-Base interactions energy: -369.369 where: short stacking energy: -228.454 Base-Backbone interact. energy: 3.685 local terms energy: -452.465631 where: bonds (distance) C4'-P energy: -127.836 bonds (distance) P-C4' energy: -159.976 flat angles C4'-P-C4' energy: -90.728 flat angles P-C4'-P energy: -82.117 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: 9 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2824.615032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.615032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.615032 (E_RNA) where: Base-Base interactions energy: -1937.103 where: short stacking energy: -788.815 Base-Backbone interact. energy: -4.560 local terms energy: -882.951183 where: bonds (distance) C4'-P energy: -147.533 bonds (distance) P-C4' energy: -174.531 flat angles C4'-P-C4' energy: -194.846 flat angles P-C4'-P energy: -137.608 tors. eta vs tors. theta energy: -228.433 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: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2743.000642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.000642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.000642 (E_RNA) where: Base-Base interactions energy: -1877.213 where: short stacking energy: -810.311 Base-Backbone interact. energy: -4.448 local terms energy: -861.339376 where: bonds (distance) C4'-P energy: -152.609 bonds (distance) P-C4' energy: -151.876 flat angles C4'-P-C4' energy: -197.639 flat angles P-C4'-P energy: -125.338 tors. eta vs tors. theta energy: -233.877 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: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2592.771590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.771590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.771590 (E_RNA) where: Base-Base interactions energy: -1768.296 where: short stacking energy: -759.944 Base-Backbone interact. energy: -3.271 local terms energy: -821.205215 where: bonds (distance) C4'-P energy: -164.644 bonds (distance) P-C4' energy: -155.448 flat angles C4'-P-C4' energy: -174.951 flat angles P-C4'-P energy: -106.284 tors. eta vs tors. theta energy: -219.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2473.374766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.374766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.374766 (E_RNA) where: Base-Base interactions energy: -1662.806 where: short stacking energy: -736.217 Base-Backbone interact. energy: -1.602 local terms energy: -808.966681 where: bonds (distance) C4'-P energy: -138.084 bonds (distance) P-C4' energy: -152.293 flat angles C4'-P-C4' energy: -187.940 flat angles P-C4'-P energy: -107.513 tors. eta vs tors. theta energy: -223.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2255.443843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.443843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.443843 (E_RNA) where: Base-Base interactions energy: -1494.666 where: short stacking energy: -637.126 Base-Backbone interact. energy: -3.053 local terms energy: -757.724684 where: bonds (distance) C4'-P energy: -148.007 bonds (distance) P-C4' energy: -142.896 flat angles C4'-P-C4' energy: -172.299 flat angles P-C4'-P energy: -122.705 tors. eta vs tors. theta energy: -171.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1995.184116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.184116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.184116 (E_RNA) where: Base-Base interactions energy: -1273.884 where: short stacking energy: -604.304 Base-Backbone interact. energy: -1.069 local terms energy: -720.230840 where: bonds (distance) C4'-P energy: -155.666 bonds (distance) P-C4' energy: -140.479 flat angles C4'-P-C4' energy: -149.846 flat angles P-C4'-P energy: -117.038 tors. eta vs tors. theta energy: -157.203 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: 141 Temperature: 1.200000 Total energy: -1732.481258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.481258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.481258 (E_RNA) where: Base-Base interactions energy: -1119.709 where: short stacking energy: -487.279 Base-Backbone interact. energy: -5.090 local terms energy: -607.681885 where: bonds (distance) C4'-P energy: -120.778 bonds (distance) P-C4' energy: -140.567 flat angles C4'-P-C4' energy: -162.648 flat angles P-C4'-P energy: -81.541 tors. eta vs tors. theta energy: -102.148 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: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1455.820850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.820850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.820850 (E_RNA) where: Base-Base interactions energy: -847.617 where: short stacking energy: -418.849 Base-Backbone interact. energy: -2.000 local terms energy: -606.204311 where: bonds (distance) C4'-P energy: -122.130 bonds (distance) P-C4' energy: -168.652 flat angles C4'-P-C4' energy: -150.603 flat angles P-C4'-P energy: -92.491 tors. eta vs tors. theta energy: -72.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1120.536000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.536000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.536000 (E_RNA) where: Base-Base interactions energy: -648.735 where: short stacking energy: -321.981 Base-Backbone interact. energy: 2.362 local terms energy: -474.162423 where: bonds (distance) C4'-P energy: -116.719 bonds (distance) P-C4' energy: -138.854 flat angles C4'-P-C4' energy: -116.011 flat angles P-C4'-P energy: -73.000 tors. eta vs tors. theta energy: -29.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -837.041733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.041733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.041733 (E_RNA) where: Base-Base interactions energy: -373.916 where: short stacking energy: -232.655 Base-Backbone interact. energy: 5.442 local terms energy: -468.567646 where: bonds (distance) C4'-P energy: -145.362 bonds (distance) P-C4' energy: -143.434 flat angles C4'-P-C4' energy: -101.965 flat angles P-C4'-P energy: -85.963 tors. eta vs tors. theta energy: 8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2834.430522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.430522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.430522 (E_RNA) where: Base-Base interactions energy: -1954.838 where: short stacking energy: -832.772 Base-Backbone interact. energy: -3.668 local terms energy: -875.924232 where: bonds (distance) C4'-P energy: -163.768 bonds (distance) P-C4' energy: -157.993 flat angles C4'-P-C4' energy: -183.988 flat angles P-C4'-P energy: -123.383 tors. eta vs tors. theta energy: -246.791 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: 1 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2712.233442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.233442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.233442 (E_RNA) where: Base-Base interactions energy: -1840.374 where: short stacking energy: -785.215 Base-Backbone interact. energy: 0.455 local terms energy: -872.314852 where: bonds (distance) C4'-P energy: -159.039 bonds (distance) P-C4' energy: -159.555 flat angles C4'-P-C4' energy: -190.189 flat angles P-C4'-P energy: -136.644 tors. eta vs tors. theta energy: -226.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2544.742873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.742873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.742873 (E_RNA) where: Base-Base interactions energy: -1687.732 where: short stacking energy: -727.788 Base-Backbone interact. energy: -1.744 local terms energy: -855.266852 where: bonds (distance) C4'-P energy: -153.246 bonds (distance) P-C4' energy: -173.070 flat angles C4'-P-C4' energy: -187.638 flat angles P-C4'-P energy: -115.753 tors. eta vs tors. theta energy: -225.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2419.615942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.615942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.615942 (E_RNA) where: Base-Base interactions energy: -1598.626 where: short stacking energy: -708.359 Base-Backbone interact. energy: -1.532 local terms energy: -819.458482 where: bonds (distance) C4'-P energy: -162.365 bonds (distance) P-C4' energy: -159.491 flat angles C4'-P-C4' energy: -171.712 flat angles P-C4'-P energy: -121.379 tors. eta vs tors. theta energy: -204.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2239.612895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.612895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.612895 (E_RNA) where: Base-Base interactions energy: -1509.519 where: short stacking energy: -649.139 Base-Backbone interact. energy: 0.560 local terms energy: -730.653810 where: bonds (distance) C4'-P energy: -136.295 bonds (distance) P-C4' energy: -151.634 flat angles C4'-P-C4' energy: -175.072 flat angles P-C4'-P energy: -97.552 tors. eta vs tors. theta energy: -170.102 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: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1910.791072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.791072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.791072 (E_RNA) where: Base-Base interactions energy: -1184.893 where: short stacking energy: -563.760 Base-Backbone interact. energy: 4.122 local terms energy: -730.019934 where: bonds (distance) C4'-P energy: -156.224 bonds (distance) P-C4' energy: -154.127 flat angles C4'-P-C4' energy: -163.445 flat angles P-C4'-P energy: -105.015 tors. eta vs tors. theta energy: -151.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1716.965558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.965558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.965558 (E_RNA) where: Base-Base interactions energy: -1079.846 where: short stacking energy: -490.000 Base-Backbone interact. energy: 7.183 local terms energy: -644.302665 where: bonds (distance) C4'-P energy: -137.732 bonds (distance) P-C4' energy: -148.573 flat angles C4'-P-C4' energy: -144.728 flat angles P-C4'-P energy: -111.482 tors. eta vs tors. theta energy: -101.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1409.233012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.233012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.233012 (E_RNA) where: Base-Base interactions energy: -860.832 where: short stacking energy: -376.556 Base-Backbone interact. energy: -0.398 local terms energy: -548.002799 where: bonds (distance) C4'-P energy: -118.201 bonds (distance) P-C4' energy: -139.244 flat angles C4'-P-C4' energy: -140.130 flat angles P-C4'-P energy: -87.302 tors. eta vs tors. theta energy: -63.125 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: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1145.772411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.772411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.772411 (E_RNA) where: Base-Base interactions energy: -636.367 where: short stacking energy: -321.451 Base-Backbone interact. energy: 3.563 local terms energy: -512.967731 where: bonds (distance) C4'-P energy: -115.913 bonds (distance) P-C4' energy: -133.870 flat angles C4'-P-C4' energy: -138.525 flat angles P-C4'-P energy: -76.790 tors. eta vs tors. theta energy: -47.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -889.340020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.340020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.340020 (E_RNA) where: Base-Base interactions energy: -423.893 where: short stacking energy: -259.836 Base-Backbone interact. energy: 0.288 local terms energy: -465.735666 where: bonds (distance) C4'-P energy: -135.238 bonds (distance) P-C4' energy: -147.283 flat angles C4'-P-C4' energy: -113.026 flat angles P-C4'-P energy: -76.338 tors. eta vs tors. theta energy: 6.150 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: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2878.353342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.353342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.353342 (E_RNA) where: Base-Base interactions energy: -1972.775 where: short stacking energy: -852.176 Base-Backbone interact. energy: -2.566 local terms energy: -903.011947 where: bonds (distance) C4'-P energy: -154.168 bonds (distance) P-C4' energy: -178.620 flat angles C4'-P-C4' energy: -188.576 flat angles P-C4'-P energy: -128.692 tors. eta vs tors. theta energy: -252.956 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: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2678.256878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.256878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.256878 (E_RNA) where: Base-Base interactions energy: -1840.534 where: short stacking energy: -831.880 Base-Backbone interact. energy: -3.079 local terms energy: -834.644230 where: bonds (distance) C4'-P energy: -139.175 bonds (distance) P-C4' energy: -148.984 flat angles C4'-P-C4' energy: -188.248 flat angles P-C4'-P energy: -117.790 tors. eta vs tors. theta energy: -240.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2535.047273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.047273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.047273 (E_RNA) where: Base-Base interactions energy: -1744.114 where: short stacking energy: -740.216 Base-Backbone interact. energy: -1.889 local terms energy: -789.043501 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -161.518 flat angles C4'-P-C4' energy: -176.246 flat angles P-C4'-P energy: -108.314 tors. eta vs tors. theta energy: -212.140 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: 143 Temperature: 1.050000 Total energy: -2411.885967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.885967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.885967 (E_RNA) where: Base-Base interactions energy: -1619.331 where: short stacking energy: -733.203 Base-Backbone interact. energy: -2.719 local terms energy: -789.836259 where: bonds (distance) C4'-P energy: -143.686 bonds (distance) P-C4' energy: -136.915 flat angles C4'-P-C4' energy: -181.778 flat angles P-C4'-P energy: -114.710 tors. eta vs tors. theta energy: -212.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2204.350895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.350895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.350895 (E_RNA) where: Base-Base interactions energy: -1469.882 where: short stacking energy: -618.440 Base-Backbone interact. energy: 5.993 local terms energy: -740.462326 where: bonds (distance) C4'-P energy: -146.332 bonds (distance) P-C4' energy: -157.738 flat angles C4'-P-C4' energy: -162.891 flat angles P-C4'-P energy: -113.938 tors. eta vs tors. theta energy: -159.563 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: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1968.571162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.571162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.571162 (E_RNA) where: Base-Base interactions energy: -1240.398 where: short stacking energy: -579.167 Base-Backbone interact. energy: -2.030 local terms energy: -726.142753 where: bonds (distance) C4'-P energy: -139.163 bonds (distance) P-C4' energy: -156.518 flat angles C4'-P-C4' energy: -168.708 flat angles P-C4'-P energy: -103.870 tors. eta vs tors. theta energy: -157.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1726.621772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.621772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.621772 (E_RNA) where: Base-Base interactions energy: -1120.433 where: short stacking energy: -487.366 Base-Backbone interact. energy: -3.112 local terms energy: -603.077405 where: bonds (distance) C4'-P energy: -130.791 bonds (distance) P-C4' energy: -147.138 flat angles C4'-P-C4' energy: -136.025 flat angles P-C4'-P energy: -90.219 tors. eta vs tors. theta energy: -98.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1461.279634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.279634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.279634 (E_RNA) where: Base-Base interactions energy: -856.816 where: short stacking energy: -384.284 Base-Backbone interact. energy: -1.537 local terms energy: -602.927091 where: bonds (distance) C4'-P energy: -149.205 bonds (distance) P-C4' energy: -155.863 flat angles C4'-P-C4' energy: -128.900 flat angles P-C4'-P energy: -104.568 tors. eta vs tors. theta energy: -64.391 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: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1114.951816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.951816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.951816 (E_RNA) where: Base-Base interactions energy: -641.641 where: short stacking energy: -287.478 Base-Backbone interact. energy: 5.752 local terms energy: -479.062346 where: bonds (distance) C4'-P energy: -129.780 bonds (distance) P-C4' energy: -135.182 flat angles C4'-P-C4' energy: -135.129 flat angles P-C4'-P energy: -68.849 tors. eta vs tors. theta energy: -10.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -867.105109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.105109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.105109 (E_RNA) where: Base-Base interactions energy: -408.499 where: short stacking energy: -250.332 Base-Backbone interact. energy: -0.823 local terms energy: -457.782782 where: bonds (distance) C4'-P energy: -138.819 bonds (distance) P-C4' energy: -140.914 flat angles C4'-P-C4' energy: -121.206 flat angles P-C4'-P energy: -51.656 tors. eta vs tors. theta energy: -5.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2880.887122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.887122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.887122 (E_RNA) where: Base-Base interactions energy: -1965.771 where: short stacking energy: -819.058 Base-Backbone interact. energy: -4.082 local terms energy: -911.033658 where: bonds (distance) C4'-P energy: -172.059 bonds (distance) P-C4' energy: -180.931 flat angles C4'-P-C4' energy: -184.085 flat angles P-C4'-P energy: -124.123 tors. eta vs tors. theta energy: -249.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2704.466311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.466311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.466311 (E_RNA) where: Base-Base interactions energy: -1842.407 where: short stacking energy: -817.141 Base-Backbone interact. energy: -1.439 local terms energy: -860.620201 where: bonds (distance) C4'-P energy: -151.016 bonds (distance) P-C4' energy: -162.838 flat angles C4'-P-C4' energy: -183.593 flat angles P-C4'-P energy: -121.020 tors. eta vs tors. theta energy: -242.153 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: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2573.061608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.061608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.061608 (E_RNA) where: Base-Base interactions energy: -1744.409 where: short stacking energy: -748.459 Base-Backbone interact. energy: -4.258 local terms energy: -824.395023 where: bonds (distance) C4'-P energy: -152.049 bonds (distance) P-C4' energy: -153.509 flat angles C4'-P-C4' energy: -187.889 flat angles P-C4'-P energy: -126.017 tors. eta vs tors. theta energy: -204.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2419.622242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.622242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.622242 (E_RNA) where: Base-Base interactions energy: -1635.017 where: short stacking energy: -715.314 Base-Backbone interact. energy: -3.554 local terms energy: -781.051621 where: bonds (distance) C4'-P energy: -143.578 bonds (distance) P-C4' energy: -148.965 flat angles C4'-P-C4' energy: -160.722 flat angles P-C4'-P energy: -117.144 tors. eta vs tors. theta energy: -210.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2317.441223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.441223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.441223 (E_RNA) where: Base-Base interactions energy: -1566.578 where: short stacking energy: -667.248 Base-Backbone interact. energy: -8.015 local terms energy: -742.847569 where: bonds (distance) C4'-P energy: -153.610 bonds (distance) P-C4' energy: -143.812 flat angles C4'-P-C4' energy: -156.081 flat angles P-C4'-P energy: -107.833 tors. eta vs tors. theta energy: -181.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1888.196556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.196556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.196556 (E_RNA) where: Base-Base interactions energy: -1200.036 where: short stacking energy: -566.794 Base-Backbone interact. energy: -2.013 local terms energy: -686.147682 where: bonds (distance) C4'-P energy: -122.929 bonds (distance) P-C4' energy: -156.740 flat angles C4'-P-C4' energy: -150.870 flat angles P-C4'-P energy: -104.474 tors. eta vs tors. theta energy: -151.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1727.707757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.707757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.707757 (E_RNA) where: Base-Base interactions energy: -1104.920 where: short stacking energy: -471.691 Base-Backbone interact. energy: -1.636 local terms energy: -621.152223 where: bonds (distance) C4'-P energy: -127.126 bonds (distance) P-C4' energy: -158.142 flat angles C4'-P-C4' energy: -155.787 flat angles P-C4'-P energy: -84.855 tors. eta vs tors. theta energy: -95.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1460.208274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.208274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.208274 (E_RNA) where: Base-Base interactions energy: -883.169 where: short stacking energy: -427.533 Base-Backbone interact. energy: 3.395 local terms energy: -580.433992 where: bonds (distance) C4'-P energy: -144.852 bonds (distance) P-C4' energy: -157.432 flat angles C4'-P-C4' energy: -136.554 flat angles P-C4'-P energy: -75.134 tors. eta vs tors. theta energy: -66.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1109.503949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.503949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.503949 (E_RNA) where: Base-Base interactions energy: -577.885 where: short stacking energy: -288.441 Base-Backbone interact. energy: 0.752 local terms energy: -532.370634 where: bonds (distance) C4'-P energy: -146.836 bonds (distance) P-C4' energy: -156.484 flat angles C4'-P-C4' energy: -136.445 flat angles P-C4'-P energy: -67.354 tors. eta vs tors. theta energy: -25.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -833.924031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.924031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.924031 (E_RNA) where: Base-Base interactions energy: -417.726 where: short stacking energy: -238.132 Base-Backbone interact. energy: -2.976 local terms energy: -413.222334 where: bonds (distance) C4'-P energy: -121.062 bonds (distance) P-C4' energy: -141.399 flat angles C4'-P-C4' energy: -102.470 flat angles P-C4'-P energy: -65.715 tors. eta vs tors. theta energy: 17.423 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: 1, replica: 9 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2838.681782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.681782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.681782 (E_RNA) where: Base-Base interactions energy: -1955.418 where: short stacking energy: -850.663 Base-Backbone interact. energy: -1.838 local terms energy: -881.426264 where: bonds (distance) C4'-P energy: -166.976 bonds (distance) P-C4' energy: -166.826 flat angles C4'-P-C4' energy: -181.386 flat angles P-C4'-P energy: -121.935 tors. eta vs tors. theta energy: -244.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2708.002757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.002757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.002757 (E_RNA) where: Base-Base interactions energy: -1802.705 where: short stacking energy: -781.346 Base-Backbone interact. energy: -1.602 local terms energy: -903.695099 where: bonds (distance) C4'-P energy: -174.431 bonds (distance) P-C4' energy: -177.136 flat angles C4'-P-C4' energy: -179.629 flat angles P-C4'-P energy: -133.639 tors. eta vs tors. theta energy: -238.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2577.117424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.117424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.117424 (E_RNA) where: Base-Base interactions energy: -1770.179 where: short stacking energy: -740.138 Base-Backbone interact. energy: -2.775 local terms energy: -804.163723 where: bonds (distance) C4'-P energy: -142.799 bonds (distance) P-C4' energy: -154.063 flat angles C4'-P-C4' energy: -174.554 flat angles P-C4'-P energy: -124.422 tors. eta vs tors. theta energy: -208.326 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: 4, replica: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2442.061407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.061407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.061407 (E_RNA) where: Base-Base interactions energy: -1634.315 where: short stacking energy: -714.600 Base-Backbone interact. energy: -3.736 local terms energy: -804.010624 where: bonds (distance) C4'-P energy: -141.241 bonds (distance) P-C4' energy: -165.069 flat angles C4'-P-C4' energy: -177.592 flat angles P-C4'-P energy: -111.494 tors. eta vs tors. theta energy: -208.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2273.095912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.095912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.095912 (E_RNA) where: Base-Base interactions energy: -1537.816 where: short stacking energy: -653.531 Base-Backbone interact. energy: 1.472 local terms energy: -736.751920 where: bonds (distance) C4'-P energy: -149.168 bonds (distance) P-C4' energy: -153.874 flat angles C4'-P-C4' energy: -166.372 flat angles P-C4'-P energy: -93.063 tors. eta vs tors. theta energy: -174.275 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: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1872.942679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.942679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.942679 (E_RNA) where: Base-Base interactions energy: -1209.546 where: short stacking energy: -537.347 Base-Backbone interact. energy: -1.396 local terms energy: -662.000648 where: bonds (distance) C4'-P energy: -135.293 bonds (distance) P-C4' energy: -142.688 flat angles C4'-P-C4' energy: -155.434 flat angles P-C4'-P energy: -102.491 tors. eta vs tors. theta energy: -126.095 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: 145 Temperature: 1.200000 Total energy: -1760.536617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.536617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.536617 (E_RNA) where: Base-Base interactions energy: -1150.512 where: short stacking energy: -506.629 Base-Backbone interact. energy: 2.915 local terms energy: -612.939576 where: bonds (distance) C4'-P energy: -142.962 bonds (distance) P-C4' energy: -116.238 flat angles C4'-P-C4' energy: -150.196 flat angles P-C4'-P energy: -104.154 tors. eta vs tors. theta energy: -99.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1463.025833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.025833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.025833 (E_RNA) where: Base-Base interactions energy: -888.658 where: short stacking energy: -408.139 Base-Backbone interact. energy: 1.893 local terms energy: -576.261221 where: bonds (distance) C4'-P energy: -157.695 bonds (distance) P-C4' energy: -127.776 flat angles C4'-P-C4' energy: -123.969 flat angles P-C4'-P energy: -94.326 tors. eta vs tors. theta energy: -72.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1153.014566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.014566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.014566 (E_RNA) where: Base-Base interactions energy: -666.311 where: short stacking energy: -337.864 Base-Backbone interact. energy: 3.118 local terms energy: -489.822072 where: bonds (distance) C4'-P energy: -129.578 bonds (distance) P-C4' energy: -134.672 flat angles C4'-P-C4' energy: -104.316 flat angles P-C4'-P energy: -81.488 tors. eta vs tors. theta energy: -39.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -861.159882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.159882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.159882 (E_RNA) where: Base-Base interactions energy: -425.553 where: short stacking energy: -243.729 Base-Backbone interact. energy: -0.986 local terms energy: -434.620744 where: bonds (distance) C4'-P energy: -145.773 bonds (distance) P-C4' energy: -141.515 flat angles C4'-P-C4' energy: -99.785 flat angles P-C4'-P energy: -55.221 tors. eta vs tors. theta energy: 7.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2859.969895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.969895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.969895 (E_RNA) where: Base-Base interactions energy: -1966.801 where: short stacking energy: -848.195 Base-Backbone interact. energy: 3.955 local terms energy: -897.123532 where: bonds (distance) C4'-P energy: -160.698 bonds (distance) P-C4' energy: -167.965 flat angles C4'-P-C4' energy: -185.926 flat angles P-C4'-P energy: -126.680 tors. eta vs tors. theta energy: -255.854 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: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2671.220131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.220131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.220131 (E_RNA) where: Base-Base interactions energy: -1807.902 where: short stacking energy: -753.668 Base-Backbone interact. energy: -0.981 local terms energy: -862.336582 where: bonds (distance) C4'-P energy: -150.026 bonds (distance) P-C4' energy: -163.494 flat angles C4'-P-C4' energy: -193.044 flat angles P-C4'-P energy: -124.372 tors. eta vs tors. theta energy: -231.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2625.144569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.144569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.144569 (E_RNA) where: Base-Base interactions energy: -1774.336 where: short stacking energy: -755.467 Base-Backbone interact. energy: -0.072 local terms energy: -850.736743 where: bonds (distance) C4'-P energy: -150.474 bonds (distance) P-C4' energy: -162.045 flat angles C4'-P-C4' energy: -181.443 flat angles P-C4'-P energy: -129.400 tors. eta vs tors. theta energy: -227.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2431.994747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.994747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.994747 (E_RNA) where: Base-Base interactions energy: -1658.170 where: short stacking energy: -728.007 Base-Backbone interact. energy: 3.764 local terms energy: -777.588040 where: bonds (distance) C4'-P energy: -145.673 bonds (distance) P-C4' energy: -160.924 flat angles C4'-P-C4' energy: -163.576 flat angles P-C4'-P energy: -97.099 tors. eta vs tors. theta energy: -210.316 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: 5, replica: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2266.376149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.376149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.376149 (E_RNA) where: Base-Base interactions energy: -1514.107 where: short stacking energy: -605.603 Base-Backbone interact. energy: -6.803 local terms energy: -745.466090 where: bonds (distance) C4'-P energy: -145.828 bonds (distance) P-C4' energy: -144.516 flat angles C4'-P-C4' energy: -173.658 flat angles P-C4'-P energy: -107.546 tors. eta vs tors. theta energy: -173.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1878.978672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.978672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.978672 (E_RNA) where: Base-Base interactions energy: -1191.792 where: short stacking energy: -533.437 Base-Backbone interact. energy: -2.027 local terms energy: -685.159798 where: bonds (distance) C4'-P energy: -141.538 bonds (distance) P-C4' energy: -159.120 flat angles C4'-P-C4' energy: -149.913 flat angles P-C4'-P energy: -88.844 tors. eta vs tors. theta energy: -145.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1737.449257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.449257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.449257 (E_RNA) where: Base-Base interactions energy: -1095.408 where: short stacking energy: -497.824 Base-Backbone interact. energy: -4.842 local terms energy: -637.199559 where: bonds (distance) C4'-P energy: -137.012 bonds (distance) P-C4' energy: -132.076 flat angles C4'-P-C4' energy: -174.405 flat angles P-C4'-P energy: -78.430 tors. eta vs tors. theta energy: -115.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1411.312554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.312554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.312554 (E_RNA) where: Base-Base interactions energy: -835.686 where: short stacking energy: -407.000 Base-Backbone interact. energy: -0.014 local terms energy: -575.612311 where: bonds (distance) C4'-P energy: -117.916 bonds (distance) P-C4' energy: -136.019 flat angles C4'-P-C4' energy: -154.269 flat angles P-C4'-P energy: -86.397 tors. eta vs tors. theta energy: -81.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1197.002469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.002469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.002469 (E_RNA) where: Base-Base interactions energy: -673.564 where: short stacking energy: -328.595 Base-Backbone interact. energy: -1.383 local terms energy: -522.054775 where: bonds (distance) C4'-P energy: -141.185 bonds (distance) P-C4' energy: -156.291 flat angles C4'-P-C4' energy: -126.358 flat angles P-C4'-P energy: -74.052 tors. eta vs tors. theta energy: -24.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -913.445153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.445153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.445153 (E_RNA) where: Base-Base interactions energy: -473.696 where: short stacking energy: -267.187 Base-Backbone interact. energy: 4.627 local terms energy: -444.375495 where: bonds (distance) C4'-P energy: -121.520 bonds (distance) P-C4' energy: -143.061 flat angles C4'-P-C4' energy: -115.337 flat angles P-C4'-P energy: -60.218 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2876.868437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.868437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.868437 (E_RNA) where: Base-Base interactions energy: -1982.888 where: short stacking energy: -832.646 Base-Backbone interact. energy: 1.331 local terms energy: -895.311625 where: bonds (distance) C4'-P energy: -167.156 bonds (distance) P-C4' energy: -164.708 flat angles C4'-P-C4' energy: -191.144 flat angles P-C4'-P energy: -125.659 tors. eta vs tors. theta energy: -246.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2647.100466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.100466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.100466 (E_RNA) where: Base-Base interactions energy: -1811.923 where: short stacking energy: -729.279 Base-Backbone interact. energy: -1.768 local terms energy: -833.409500 where: bonds (distance) C4'-P energy: -150.412 bonds (distance) P-C4' energy: -153.537 flat angles C4'-P-C4' energy: -182.778 flat angles P-C4'-P energy: -134.815 tors. eta vs tors. theta energy: -211.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2586.655275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.655275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.655275 (E_RNA) where: Base-Base interactions energy: -1738.202 where: short stacking energy: -747.242 Base-Backbone interact. energy: -4.852 local terms energy: -843.601025 where: bonds (distance) C4'-P energy: -143.437 bonds (distance) P-C4' energy: -160.495 flat angles C4'-P-C4' energy: -187.506 flat angles P-C4'-P energy: -115.735 tors. eta vs tors. theta energy: -236.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2389.276047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.276047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.276047 (E_RNA) where: Base-Base interactions energy: -1602.257 where: short stacking energy: -691.529 Base-Backbone interact. energy: -3.067 local terms energy: -783.952027 where: bonds (distance) C4'-P energy: -147.441 bonds (distance) P-C4' energy: -160.572 flat angles C4'-P-C4' energy: -184.916 flat angles P-C4'-P energy: -100.718 tors. eta vs tors. theta energy: -190.305 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: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2243.446222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.446222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.446222 (E_RNA) where: Base-Base interactions energy: -1476.669 where: short stacking energy: -631.869 Base-Backbone interact. energy: -2.921 local terms energy: -763.856208 where: bonds (distance) C4'-P energy: -159.769 bonds (distance) P-C4' energy: -146.592 flat angles C4'-P-C4' energy: -178.539 flat angles P-C4'-P energy: -107.509 tors. eta vs tors. theta energy: -171.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1880.243004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.243004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.243004 (E_RNA) where: Base-Base interactions energy: -1209.062 where: short stacking energy: -558.714 Base-Backbone interact. energy: 2.200 local terms energy: -673.380907 where: bonds (distance) C4'-P energy: -153.766 bonds (distance) P-C4' energy: -131.887 flat angles C4'-P-C4' energy: -150.829 flat angles P-C4'-P energy: -93.037 tors. eta vs tors. theta energy: -143.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1813.279208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.279208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.279208 (E_RNA) where: Base-Base interactions energy: -1154.351 where: short stacking energy: -480.958 Base-Backbone interact. energy: -6.336 local terms energy: -652.592507 where: bonds (distance) C4'-P energy: -132.431 bonds (distance) P-C4' energy: -154.653 flat angles C4'-P-C4' energy: -149.165 flat angles P-C4'-P energy: -91.636 tors. eta vs tors. theta energy: -124.707 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: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1391.915518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.915518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.915518 (E_RNA) where: Base-Base interactions energy: -824.941 where: short stacking energy: -387.331 Base-Backbone interact. energy: -0.217 local terms energy: -566.757095 where: bonds (distance) C4'-P energy: -143.665 bonds (distance) P-C4' energy: -151.722 flat angles C4'-P-C4' energy: -141.074 flat angles P-C4'-P energy: -76.178 tors. eta vs tors. theta energy: -54.118 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: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1173.408364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.408364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.408364 (E_RNA) where: Base-Base interactions energy: -679.470 where: short stacking energy: -334.928 Base-Backbone interact. energy: 6.516 local terms energy: -500.454283 where: bonds (distance) C4'-P energy: -144.058 bonds (distance) P-C4' energy: -128.715 flat angles C4'-P-C4' energy: -126.104 flat angles P-C4'-P energy: -80.258 tors. eta vs tors. theta energy: -21.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -879.352461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.352461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.352461 (E_RNA) where: Base-Base interactions energy: -456.097 where: short stacking energy: -266.840 Base-Backbone interact. energy: 4.513 local terms energy: -427.768314 where: bonds (distance) C4'-P energy: -112.705 bonds (distance) P-C4' energy: -140.954 flat angles C4'-P-C4' energy: -109.806 flat angles P-C4'-P energy: -76.210 tors. eta vs tors. theta energy: 11.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2832.012888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.012888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.012888 (E_RNA) where: Base-Base interactions energy: -1947.263 where: short stacking energy: -825.824 Base-Backbone interact. energy: -3.423 local terms energy: -881.327046 where: bonds (distance) C4'-P energy: -150.655 bonds (distance) P-C4' energy: -168.337 flat angles C4'-P-C4' energy: -195.367 flat angles P-C4'-P energy: -130.825 tors. eta vs tors. theta energy: -236.143 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: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2691.324505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.324505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.324505 (E_RNA) where: Base-Base interactions energy: -1841.049 where: short stacking energy: -751.600 Base-Backbone interact. energy: -3.506 local terms energy: -846.770263 where: bonds (distance) C4'-P energy: -151.119 bonds (distance) P-C4' energy: -164.081 flat angles C4'-P-C4' energy: -193.869 flat angles P-C4'-P energy: -111.717 tors. eta vs tors. theta energy: -225.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2647.641894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.641894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.641894 (E_RNA) where: Base-Base interactions energy: -1779.867 where: short stacking energy: -752.004 Base-Backbone interact. energy: -0.294 local terms energy: -867.480667 where: bonds (distance) C4'-P energy: -143.339 bonds (distance) P-C4' energy: -161.408 flat angles C4'-P-C4' energy: -188.813 flat angles P-C4'-P energy: -135.169 tors. eta vs tors. theta energy: -238.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2357.007808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.007808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.007808 (E_RNA) where: Base-Base interactions energy: -1553.484 where: short stacking energy: -694.833 Base-Backbone interact. energy: -2.961 local terms energy: -800.562454 where: bonds (distance) C4'-P energy: -150.445 bonds (distance) P-C4' energy: -154.214 flat angles C4'-P-C4' energy: -169.641 flat angles P-C4'-P energy: -124.584 tors. eta vs tors. theta energy: -201.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2196.136042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.136042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.136042 (E_RNA) where: Base-Base interactions energy: -1477.705 where: short stacking energy: -625.210 Base-Backbone interact. energy: -1.888 local terms energy: -716.543341 where: bonds (distance) C4'-P energy: -150.796 bonds (distance) P-C4' energy: -134.009 flat angles C4'-P-C4' energy: -163.551 flat angles P-C4'-P energy: -107.509 tors. eta vs tors. theta energy: -160.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1844.194810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.194810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.194810 (E_RNA) where: Base-Base interactions energy: -1178.431 where: short stacking energy: -548.479 Base-Backbone interact. energy: 4.234 local terms energy: -669.997659 where: bonds (distance) C4'-P energy: -136.828 bonds (distance) P-C4' energy: -153.388 flat angles C4'-P-C4' energy: -160.057 flat angles P-C4'-P energy: -90.227 tors. eta vs tors. theta energy: -129.498 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: 148 Temperature: 1.200000 Total energy: -1832.210087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.210087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.210087 (E_RNA) where: Base-Base interactions energy: -1202.854 where: short stacking energy: -494.194 Base-Backbone interact. energy: 0.700 local terms energy: -630.055908 where: bonds (distance) C4'-P energy: -134.062 bonds (distance) P-C4' energy: -136.646 flat angles C4'-P-C4' energy: -169.023 flat angles P-C4'-P energy: -82.729 tors. eta vs tors. theta energy: -107.597 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: 5 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1350.559754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.559754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.559754 (E_RNA) where: Base-Base interactions energy: -808.765 where: short stacking energy: -417.124 Base-Backbone interact. energy: 1.638 local terms energy: -543.433240 where: bonds (distance) C4'-P energy: -141.847 bonds (distance) P-C4' energy: -128.206 flat angles C4'-P-C4' energy: -123.115 flat angles P-C4'-P energy: -79.145 tors. eta vs tors. theta energy: -71.121 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: 9, replica: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1139.455499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.455499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.455499 (E_RNA) where: Base-Base interactions energy: -661.623 where: short stacking energy: -305.868 Base-Backbone interact. energy: -1.576 local terms energy: -476.256136 where: bonds (distance) C4'-P energy: -127.164 bonds (distance) P-C4' energy: -129.159 flat angles C4'-P-C4' energy: -139.920 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -13.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -867.929952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.929952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.929952 (E_RNA) where: Base-Base interactions energy: -402.691 where: short stacking energy: -219.539 Base-Backbone interact. energy: -4.969 local terms energy: -460.269301 where: bonds (distance) C4'-P energy: -145.488 bonds (distance) P-C4' energy: -168.979 flat angles C4'-P-C4' energy: -111.108 flat angles P-C4'-P energy: -49.938 tors. eta vs tors. theta energy: 15.242 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: 9 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2852.497796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.497796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.497796 (E_RNA) where: Base-Base interactions energy: -1960.361 where: short stacking energy: -826.796 Base-Backbone interact. energy: -6.329 local terms energy: -885.808219 where: bonds (distance) C4'-P energy: -151.821 bonds (distance) P-C4' energy: -168.657 flat angles C4'-P-C4' energy: -198.010 flat angles P-C4'-P energy: -127.062 tors. eta vs tors. theta energy: -240.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2683.258799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.258799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.258799 (E_RNA) where: Base-Base interactions energy: -1848.717 where: short stacking energy: -768.632 Base-Backbone interact. energy: -4.556 local terms energy: -829.985327 where: bonds (distance) C4'-P energy: -157.542 bonds (distance) P-C4' energy: -156.168 flat angles C4'-P-C4' energy: -179.185 flat angles P-C4'-P energy: -117.460 tors. eta vs tors. theta energy: -219.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2621.681870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.681870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.681870 (E_RNA) where: Base-Base interactions energy: -1760.048 where: short stacking energy: -772.389 Base-Backbone interact. energy: -2.090 local terms energy: -859.544035 where: bonds (distance) C4'-P energy: -167.644 bonds (distance) P-C4' energy: -153.945 flat angles C4'-P-C4' energy: -188.176 flat angles P-C4'-P energy: -107.924 tors. eta vs tors. theta energy: -241.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2391.597952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.597952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.597952 (E_RNA) where: Base-Base interactions energy: -1585.337 where: short stacking energy: -707.720 Base-Backbone interact. energy: -4.214 local terms energy: -802.047530 where: bonds (distance) C4'-P energy: -147.362 bonds (distance) P-C4' energy: -160.215 flat angles C4'-P-C4' energy: -169.135 flat angles P-C4'-P energy: -117.809 tors. eta vs tors. theta energy: -207.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2169.413665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.413665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.413665 (E_RNA) where: Base-Base interactions energy: -1428.699 where: short stacking energy: -638.118 Base-Backbone interact. energy: -1.758 local terms energy: -738.956996 where: bonds (distance) C4'-P energy: -151.932 bonds (distance) P-C4' energy: -159.562 flat angles C4'-P-C4' energy: -159.578 flat angles P-C4'-P energy: -107.720 tors. eta vs tors. theta energy: -160.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1956.913649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.913649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.913649 (E_RNA) where: Base-Base interactions energy: -1260.835 where: short stacking energy: -530.622 Base-Backbone interact. energy: -1.622 local terms energy: -694.456242 where: bonds (distance) C4'-P energy: -148.963 bonds (distance) P-C4' energy: -146.365 flat angles C4'-P-C4' energy: -169.092 flat angles P-C4'-P energy: -94.235 tors. eta vs tors. theta energy: -135.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1736.021673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.021673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.021673 (E_RNA) where: Base-Base interactions energy: -1084.982 where: short stacking energy: -498.566 Base-Backbone interact. energy: 0.131 local terms energy: -651.171148 where: bonds (distance) C4'-P energy: -119.922 bonds (distance) P-C4' energy: -138.732 flat angles C4'-P-C4' energy: -142.050 flat angles P-C4'-P energy: -111.356 tors. eta vs tors. theta energy: -139.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1372.668071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.668071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.668071 (E_RNA) where: Base-Base interactions energy: -812.331 where: short stacking energy: -399.909 Base-Backbone interact. energy: 1.622 local terms energy: -561.958913 where: bonds (distance) C4'-P energy: -143.111 bonds (distance) P-C4' energy: -116.159 flat angles C4'-P-C4' energy: -139.155 flat angles P-C4'-P energy: -99.847 tors. eta vs tors. theta energy: -63.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1157.036326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.036326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.036326 (E_RNA) where: Base-Base interactions energy: -653.567 where: short stacking energy: -311.252 Base-Backbone interact. energy: -2.976 local terms energy: -500.493866 where: bonds (distance) C4'-P energy: -123.480 bonds (distance) P-C4' energy: -135.720 flat angles C4'-P-C4' energy: -133.475 flat angles P-C4'-P energy: -88.870 tors. eta vs tors. theta energy: -18.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -884.164995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.164995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.164995 (E_RNA) where: Base-Base interactions energy: -432.209 where: short stacking energy: -263.821 Base-Backbone interact. energy: 2.331 local terms energy: -454.286365 where: bonds (distance) C4'-P energy: -120.381 bonds (distance) P-C4' energy: -137.034 flat angles C4'-P-C4' energy: -117.924 flat angles P-C4'-P energy: -61.367 tors. eta vs tors. theta energy: -17.580 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: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2826.975882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.975882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.975882 (E_RNA) where: Base-Base interactions energy: -1946.930 where: short stacking energy: -815.784 Base-Backbone interact. energy: -0.374 local terms energy: -879.672037 where: bonds (distance) C4'-P energy: -169.140 bonds (distance) P-C4' energy: -161.727 flat angles C4'-P-C4' energy: -186.674 flat angles P-C4'-P energy: -119.634 tors. eta vs tors. theta energy: -242.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2671.136216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.136216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.136216 (E_RNA) where: Base-Base interactions energy: -1816.627 where: short stacking energy: -743.395 Base-Backbone interact. energy: 1.077 local terms energy: -855.585872 where: bonds (distance) C4'-P energy: -173.920 bonds (distance) P-C4' energy: -152.620 flat angles C4'-P-C4' energy: -180.651 flat angles P-C4'-P energy: -133.714 tors. eta vs tors. theta energy: -214.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2617.128276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.128276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.128276 (E_RNA) where: Base-Base interactions energy: -1768.690 where: short stacking energy: -763.718 Base-Backbone interact. energy: -2.411 local terms energy: -846.027027 where: bonds (distance) C4'-P energy: -158.171 bonds (distance) P-C4' energy: -178.151 flat angles C4'-P-C4' energy: -179.613 flat angles P-C4'-P energy: -100.062 tors. eta vs tors. theta energy: -230.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2422.452976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.452976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.452976 (E_RNA) where: Base-Base interactions energy: -1617.331 where: short stacking energy: -708.612 Base-Backbone interact. energy: -2.240 local terms energy: -802.882516 where: bonds (distance) C4'-P energy: -146.299 bonds (distance) P-C4' energy: -158.181 flat angles C4'-P-C4' energy: -176.694 flat angles P-C4'-P energy: -113.766 tors. eta vs tors. theta energy: -207.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2138.737981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.737981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.737981 (E_RNA) where: Base-Base interactions energy: -1434.457 where: short stacking energy: -596.211 Base-Backbone interact. energy: -5.796 local terms energy: -698.484755 where: bonds (distance) C4'-P energy: -139.524 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -164.407 flat angles P-C4'-P energy: -93.844 tors. eta vs tors. theta energy: -145.548 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: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2005.724763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.724763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.724763 (E_RNA) where: Base-Base interactions energy: -1313.712 where: short stacking energy: -537.982 Base-Backbone interact. energy: 0.524 local terms energy: -692.536674 where: bonds (distance) C4'-P energy: -159.994 bonds (distance) P-C4' energy: -148.009 flat angles C4'-P-C4' energy: -158.789 flat angles P-C4'-P energy: -101.530 tors. eta vs tors. theta energy: -124.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1746.245946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.245946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.245946 (E_RNA) where: Base-Base interactions energy: -1092.726 where: short stacking energy: -493.656 Base-Backbone interact. energy: 1.969 local terms energy: -655.488980 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -141.041 flat angles C4'-P-C4' energy: -168.495 flat angles P-C4'-P energy: -99.016 tors. eta vs tors. theta energy: -116.746 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: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1426.915789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.915789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.915789 (E_RNA) where: Base-Base interactions energy: -843.254 where: short stacking energy: -400.142 Base-Backbone interact. energy: 0.659 local terms energy: -584.320586 where: bonds (distance) C4'-P energy: -140.677 bonds (distance) P-C4' energy: -157.109 flat angles C4'-P-C4' energy: -138.559 flat angles P-C4'-P energy: -75.405 tors. eta vs tors. theta energy: -72.570 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: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1263.219990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.219990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.219990 (E_RNA) where: Base-Base interactions energy: -762.708 where: short stacking energy: -323.711 Base-Backbone interact. energy: -3.374 local terms energy: -497.138093 where: bonds (distance) C4'-P energy: -112.631 bonds (distance) P-C4' energy: -136.854 flat angles C4'-P-C4' energy: -123.497 flat angles P-C4'-P energy: -82.790 tors. eta vs tors. theta energy: -41.366 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: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -888.726563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.726563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.726563 (E_RNA) where: Base-Base interactions energy: -430.973 where: short stacking energy: -237.236 Base-Backbone interact. energy: -0.987 local terms energy: -456.766889 where: bonds (distance) C4'-P energy: -152.353 bonds (distance) P-C4' energy: -136.853 flat angles C4'-P-C4' energy: -122.140 flat angles P-C4'-P energy: -66.592 tors. eta vs tors. theta energy: 21.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2881.818451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.818451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.818451 (E_RNA) where: Base-Base interactions energy: -1989.669 where: short stacking energy: -836.227 Base-Backbone interact. energy: -3.557 local terms energy: -888.592781 where: bonds (distance) C4'-P energy: -156.683 bonds (distance) P-C4' energy: -173.913 flat angles C4'-P-C4' energy: -193.105 flat angles P-C4'-P energy: -121.784 tors. eta vs tors. theta energy: -243.107 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: 2, replica: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2706.685377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.685377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.685377 (E_RNA) where: Base-Base interactions energy: -1835.413 where: short stacking energy: -795.393 Base-Backbone interact. energy: -2.288 local terms energy: -868.984224 where: bonds (distance) C4'-P energy: -152.078 bonds (distance) P-C4' energy: -163.135 flat angles C4'-P-C4' energy: -186.812 flat angles P-C4'-P energy: -124.404 tors. eta vs tors. theta energy: -242.555 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: 1 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2611.028150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.028150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.028150 (E_RNA) where: Base-Base interactions energy: -1760.157 where: short stacking energy: -789.543 Base-Backbone interact. energy: -2.397 local terms energy: -848.474623 where: bonds (distance) C4'-P energy: -138.772 bonds (distance) P-C4' energy: -155.585 flat angles C4'-P-C4' energy: -191.008 flat angles P-C4'-P energy: -124.088 tors. eta vs tors. theta energy: -239.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2447.562114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.562114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.562114 (E_RNA) where: Base-Base interactions energy: -1656.351 where: short stacking energy: -747.372 Base-Backbone interact. energy: 2.387 local terms energy: -793.598069 where: bonds (distance) C4'-P energy: -139.938 bonds (distance) P-C4' energy: -153.132 flat angles C4'-P-C4' energy: -180.908 flat angles P-C4'-P energy: -114.821 tors. eta vs tors. theta energy: -204.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2232.817118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.817118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.817118 (E_RNA) where: Base-Base interactions energy: -1447.637 where: short stacking energy: -630.921 Base-Backbone interact. energy: -1.793 local terms energy: -783.387055 where: bonds (distance) C4'-P energy: -162.775 bonds (distance) P-C4' energy: -154.489 flat angles C4'-P-C4' energy: -191.824 flat angles P-C4'-P energy: -100.437 tors. eta vs tors. theta energy: -173.862 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: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2009.687489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.687489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.687489 (E_RNA) where: Base-Base interactions energy: -1310.287 where: short stacking energy: -560.817 Base-Backbone interact. energy: -3.737 local terms energy: -695.663243 where: bonds (distance) C4'-P energy: -160.108 bonds (distance) P-C4' energy: -160.762 flat angles C4'-P-C4' energy: -144.182 flat angles P-C4'-P energy: -90.881 tors. eta vs tors. theta energy: -139.729 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: 7, replica: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1785.539438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.539438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.539438 (E_RNA) where: Base-Base interactions energy: -1131.292 where: short stacking energy: -521.985 Base-Backbone interact. energy: -4.055 local terms energy: -650.192106 where: bonds (distance) C4'-P energy: -128.108 bonds (distance) P-C4' energy: -150.380 flat angles C4'-P-C4' energy: -161.813 flat angles P-C4'-P energy: -96.451 tors. eta vs tors. theta energy: -113.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1373.958878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.958878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.958878 (E_RNA) where: Base-Base interactions energy: -850.210 where: short stacking energy: -383.869 Base-Backbone interact. energy: 0.181 local terms energy: -523.929085 where: bonds (distance) C4'-P energy: -134.680 bonds (distance) P-C4' energy: -125.572 flat angles C4'-P-C4' energy: -141.252 flat angles P-C4'-P energy: -73.307 tors. eta vs tors. theta energy: -49.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1315.778624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.778624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.778624 (E_RNA) where: Base-Base interactions energy: -779.522 where: short stacking energy: -334.932 Base-Backbone interact. energy: -6.356 local terms energy: -529.900545 where: bonds (distance) C4'-P energy: -144.953 bonds (distance) P-C4' energy: -144.047 flat angles C4'-P-C4' energy: -123.993 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -42.682 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: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -931.909216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.909216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.909216 (E_RNA) where: Base-Base interactions energy: -477.961 where: short stacking energy: -277.311 Base-Backbone interact. energy: 1.911 local terms energy: -455.859161 where: bonds (distance) C4'-P energy: -114.964 bonds (distance) P-C4' energy: -143.964 flat angles C4'-P-C4' energy: -121.175 flat angles P-C4'-P energy: -65.001 tors. eta vs tors. theta energy: -10.755 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: 1, replica: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2855.125528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.125528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.125528 (E_RNA) where: Base-Base interactions energy: -1946.822 where: short stacking energy: -828.474 Base-Backbone interact. energy: -3.464 local terms energy: -904.839075 where: bonds (distance) C4'-P energy: -173.275 bonds (distance) P-C4' energy: -168.830 flat angles C4'-P-C4' energy: -200.050 flat angles P-C4'-P energy: -126.114 tors. eta vs tors. theta energy: -236.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2697.088652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.088652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.088652 (E_RNA) where: Base-Base interactions energy: -1874.333 where: short stacking energy: -792.308 Base-Backbone interact. energy: -5.999 local terms energy: -816.756686 where: bonds (distance) C4'-P energy: -158.172 bonds (distance) P-C4' energy: -152.189 flat angles C4'-P-C4' energy: -180.193 flat angles P-C4'-P energy: -106.762 tors. eta vs tors. theta energy: -219.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2626.777345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.777345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.777345 (E_RNA) where: Base-Base interactions energy: -1753.449 where: short stacking energy: -801.592 Base-Backbone interact. energy: -3.494 local terms energy: -869.835041 where: bonds (distance) C4'-P energy: -151.208 bonds (distance) P-C4' energy: -174.799 flat angles C4'-P-C4' energy: -188.871 flat angles P-C4'-P energy: -120.884 tors. eta vs tors. theta energy: -234.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2360.526868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.526868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.526868 (E_RNA) where: Base-Base interactions energy: -1553.887 where: short stacking energy: -667.904 Base-Backbone interact. energy: 1.241 local terms energy: -807.880930 where: bonds (distance) C4'-P energy: -160.891 bonds (distance) P-C4' energy: -161.397 flat angles C4'-P-C4' energy: -168.689 flat angles P-C4'-P energy: -124.977 tors. eta vs tors. theta energy: -191.927 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: 5, replica: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2229.568628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.568628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.568628 (E_RNA) where: Base-Base interactions energy: -1483.346 where: short stacking energy: -640.339 Base-Backbone interact. energy: -4.356 local terms energy: -741.866151 where: bonds (distance) C4'-P energy: -154.299 bonds (distance) P-C4' energy: -151.831 flat angles C4'-P-C4' energy: -168.655 flat angles P-C4'-P energy: -88.085 tors. eta vs tors. theta energy: -178.996 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: 152 Temperature: 1.150000 Total energy: -2074.178671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.178671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.178671 (E_RNA) where: Base-Base interactions energy: -1409.745 where: short stacking energy: -586.237 Base-Backbone interact. energy: -1.890 local terms energy: -662.543500 where: bonds (distance) C4'-P energy: -134.637 bonds (distance) P-C4' energy: -138.750 flat angles C4'-P-C4' energy: -157.297 flat angles P-C4'-P energy: -93.585 tors. eta vs tors. theta energy: -138.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1752.700075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.700075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.700075 (E_RNA) where: Base-Base interactions energy: -1132.446 where: short stacking energy: -496.480 Base-Backbone interact. energy: 0.903 local terms energy: -621.157047 where: bonds (distance) C4'-P energy: -148.713 bonds (distance) P-C4' energy: -126.766 flat angles C4'-P-C4' energy: -131.589 flat angles P-C4'-P energy: -109.309 tors. eta vs tors. theta energy: -104.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1423.923702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.923702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.923702 (E_RNA) where: Base-Base interactions energy: -873.485 where: short stacking energy: -407.596 Base-Backbone interact. energy: 0.523 local terms energy: -550.961889 where: bonds (distance) C4'-P energy: -138.469 bonds (distance) P-C4' energy: -136.712 flat angles C4'-P-C4' energy: -131.521 flat angles P-C4'-P energy: -88.264 tors. eta vs tors. theta energy: -55.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1319.663300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.663300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.663300 (E_RNA) where: Base-Base interactions energy: -796.497 where: short stacking energy: -344.120 Base-Backbone interact. energy: 2.508 local terms energy: -525.674357 where: bonds (distance) C4'-P energy: -130.108 bonds (distance) P-C4' energy: -130.516 flat angles C4'-P-C4' energy: -133.830 flat angles P-C4'-P energy: -85.844 tors. eta vs tors. theta energy: -45.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -904.671656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.671656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.671656 (E_RNA) where: Base-Base interactions energy: -444.960 where: short stacking energy: -268.107 Base-Backbone interact. energy: 0.643 local terms energy: -460.354180 where: bonds (distance) C4'-P energy: -132.657 bonds (distance) P-C4' energy: -148.969 flat angles C4'-P-C4' energy: -105.721 flat angles P-C4'-P energy: -66.746 tors. eta vs tors. theta energy: -6.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2836.457350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.457350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.457350 (E_RNA) where: Base-Base interactions energy: -1946.720 where: short stacking energy: -803.543 Base-Backbone interact. energy: -3.057 local terms energy: -886.680793 where: bonds (distance) C4'-P energy: -174.096 bonds (distance) P-C4' energy: -161.055 flat angles C4'-P-C4' energy: -194.701 flat angles P-C4'-P energy: -120.306 tors. eta vs tors. theta energy: -236.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2708.669278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.669278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.669278 (E_RNA) where: Base-Base interactions energy: -1861.981 where: short stacking energy: -769.966 Base-Backbone interact. energy: -6.016 local terms energy: -840.671329 where: bonds (distance) C4'-P energy: -132.577 bonds (distance) P-C4' energy: -172.871 flat angles C4'-P-C4' energy: -178.752 flat angles P-C4'-P energy: -134.555 tors. eta vs tors. theta energy: -221.916 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: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2589.602437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.602437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.602437 (E_RNA) where: Base-Base interactions energy: -1751.886 where: short stacking energy: -770.022 Base-Backbone interact. energy: -2.928 local terms energy: -834.788818 where: bonds (distance) C4'-P energy: -149.821 bonds (distance) P-C4' energy: -151.205 flat angles C4'-P-C4' energy: -187.292 flat angles P-C4'-P energy: -113.668 tors. eta vs tors. theta energy: -232.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2455.677983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.677983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.677983 (E_RNA) where: Base-Base interactions energy: -1636.212 where: short stacking energy: -723.317 Base-Backbone interact. energy: 0.050 local terms energy: -819.515908 where: bonds (distance) C4'-P energy: -153.129 bonds (distance) P-C4' energy: -164.395 flat angles C4'-P-C4' energy: -173.655 flat angles P-C4'-P energy: -112.578 tors. eta vs tors. theta energy: -215.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2207.250875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.250875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.250875 (E_RNA) where: Base-Base interactions energy: -1493.066 where: short stacking energy: -621.503 Base-Backbone interact. energy: -1.229 local terms energy: -712.956348 where: bonds (distance) C4'-P energy: -152.657 bonds (distance) P-C4' energy: -126.934 flat angles C4'-P-C4' energy: -169.752 flat angles P-C4'-P energy: -102.864 tors. eta vs tors. theta energy: -160.749 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: 153 Temperature: 1.150000 Total energy: -2101.840831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.840831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.840831 (E_RNA) where: Base-Base interactions energy: -1394.791 where: short stacking energy: -596.931 Base-Backbone interact. energy: -3.398 local terms energy: -703.652116 where: bonds (distance) C4'-P energy: -143.887 bonds (distance) P-C4' energy: -143.864 flat angles C4'-P-C4' energy: -159.899 flat angles P-C4'-P energy: -108.481 tors. eta vs tors. theta energy: -147.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1698.148233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.148233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.148233 (E_RNA) where: Base-Base interactions energy: -1078.134 where: short stacking energy: -496.205 Base-Backbone interact. energy: -2.601 local terms energy: -617.412413 where: bonds (distance) C4'-P energy: -135.962 bonds (distance) P-C4' energy: -142.220 flat angles C4'-P-C4' energy: -131.669 flat angles P-C4'-P energy: -94.482 tors. eta vs tors. theta energy: -113.080 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: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1538.562631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.562631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.562631 (E_RNA) where: Base-Base interactions energy: -934.907 where: short stacking energy: -426.864 Base-Backbone interact. energy: 2.776 local terms energy: -606.431430 where: bonds (distance) C4'-P energy: -143.978 bonds (distance) P-C4' energy: -133.314 flat angles C4'-P-C4' energy: -140.123 flat angles P-C4'-P energy: -101.103 tors. eta vs tors. theta energy: -87.913 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: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1225.441162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.441162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.441162 (E_RNA) where: Base-Base interactions energy: -721.438 where: short stacking energy: -350.866 Base-Backbone interact. energy: -2.618 local terms energy: -501.385497 where: bonds (distance) C4'-P energy: -142.452 bonds (distance) P-C4' energy: -153.443 flat angles C4'-P-C4' energy: -115.795 flat angles P-C4'-P energy: -52.052 tors. eta vs tors. theta energy: -37.643 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: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -916.919576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.919576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.919576 (E_RNA) where: Base-Base interactions energy: -492.171 where: short stacking energy: -237.296 Base-Backbone interact. energy: -2.746 local terms energy: -422.001689 where: bonds (distance) C4'-P energy: -109.264 bonds (distance) P-C4' energy: -134.864 flat angles C4'-P-C4' energy: -109.338 flat angles P-C4'-P energy: -51.991 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: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2849.293814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.293814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.293814 (E_RNA) where: Base-Base interactions energy: -1955.285 where: short stacking energy: -836.443 Base-Backbone interact. energy: -3.825 local terms energy: -890.183944 where: bonds (distance) C4'-P energy: -177.588 bonds (distance) P-C4' energy: -171.494 flat angles C4'-P-C4' energy: -185.806 flat angles P-C4'-P energy: -105.222 tors. eta vs tors. theta energy: -250.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2701.279897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.279897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.279897 (E_RNA) where: Base-Base interactions energy: -1856.710 where: short stacking energy: -794.655 Base-Backbone interact. energy: -3.355 local terms energy: -841.215074 where: bonds (distance) C4'-P energy: -147.775 bonds (distance) P-C4' energy: -152.565 flat angles C4'-P-C4' energy: -186.406 flat angles P-C4'-P energy: -124.741 tors. eta vs tors. theta energy: -229.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2612.674838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.674838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.674838 (E_RNA) where: Base-Base interactions energy: -1746.372 where: short stacking energy: -763.166 Base-Backbone interact. energy: -3.453 local terms energy: -862.850008 where: bonds (distance) C4'-P energy: -151.392 bonds (distance) P-C4' energy: -156.635 flat angles C4'-P-C4' energy: -192.756 flat angles P-C4'-P energy: -121.836 tors. eta vs tors. theta energy: -240.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2401.932932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.932932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.932932 (E_RNA) where: Base-Base interactions energy: -1617.776 where: short stacking energy: -717.807 Base-Backbone interact. energy: 8.833 local terms energy: -792.990496 where: bonds (distance) C4'-P energy: -157.956 bonds (distance) P-C4' energy: -149.678 flat angles C4'-P-C4' energy: -178.287 flat angles P-C4'-P energy: -110.026 tors. eta vs tors. theta energy: -197.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2215.571434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.571434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.571434 (E_RNA) where: Base-Base interactions energy: -1465.400 where: short stacking energy: -620.503 Base-Backbone interact. energy: 1.814 local terms energy: -751.985804 where: bonds (distance) C4'-P energy: -172.139 bonds (distance) P-C4' energy: -157.933 flat angles C4'-P-C4' energy: -166.938 flat angles P-C4'-P energy: -96.084 tors. eta vs tors. theta energy: -158.893 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: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2085.257558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.257558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.257558 (E_RNA) where: Base-Base interactions energy: -1373.026 where: short stacking energy: -583.911 Base-Backbone interact. energy: -1.562 local terms energy: -710.669017 where: bonds (distance) C4'-P energy: -119.214 bonds (distance) P-C4' energy: -173.224 flat angles C4'-P-C4' energy: -168.871 flat angles P-C4'-P energy: -100.927 tors. eta vs tors. theta energy: -148.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1584.227355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.227355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.227355 (E_RNA) where: Base-Base interactions energy: -1013.305 where: short stacking energy: -445.350 Base-Backbone interact. energy: 3.302 local terms energy: -574.224372 where: bonds (distance) C4'-P energy: -129.668 bonds (distance) P-C4' energy: -147.888 flat angles C4'-P-C4' energy: -125.917 flat angles P-C4'-P energy: -92.066 tors. eta vs tors. theta energy: -78.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1619.735939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.735939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.735939 (E_RNA) where: Base-Base interactions energy: -972.020 where: short stacking energy: -429.481 Base-Backbone interact. energy: -1.249 local terms energy: -646.466614 where: bonds (distance) C4'-P energy: -136.556 bonds (distance) P-C4' energy: -142.381 flat angles C4'-P-C4' energy: -140.071 flat angles P-C4'-P energy: -120.231 tors. eta vs tors. theta energy: -107.227 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: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1187.126013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.126013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.126013 (E_RNA) where: Base-Base interactions energy: -697.309 where: short stacking energy: -335.701 Base-Backbone interact. energy: 7.706 local terms energy: -497.523462 where: bonds (distance) C4'-P energy: -130.381 bonds (distance) P-C4' energy: -137.480 flat angles C4'-P-C4' energy: -117.616 flat angles P-C4'-P energy: -78.998 tors. eta vs tors. theta energy: -33.049 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: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -886.945785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.945785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.945785 (E_RNA) where: Base-Base interactions energy: -442.276 where: short stacking energy: -235.546 Base-Backbone interact. energy: 2.034 local terms energy: -446.703743 where: bonds (distance) C4'-P energy: -142.379 bonds (distance) P-C4' energy: -127.136 flat angles C4'-P-C4' energy: -120.859 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2807.530265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.530265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.530265 (E_RNA) where: Base-Base interactions energy: -1927.385 where: short stacking energy: -832.245 Base-Backbone interact. energy: -2.736 local terms energy: -877.409427 where: bonds (distance) C4'-P energy: -147.859 bonds (distance) P-C4' energy: -161.304 flat angles C4'-P-C4' energy: -199.772 flat angles P-C4'-P energy: -132.470 tors. eta vs tors. theta energy: -236.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2736.122367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.122367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.122367 (E_RNA) where: Base-Base interactions energy: -1862.452 where: short stacking energy: -820.651 Base-Backbone interact. energy: 3.234 local terms energy: -876.904099 where: bonds (distance) C4'-P energy: -151.958 bonds (distance) P-C4' energy: -152.850 flat angles C4'-P-C4' energy: -190.259 flat angles P-C4'-P energy: -133.001 tors. eta vs tors. theta energy: -248.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2587.694136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.694136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.694136 (E_RNA) where: Base-Base interactions energy: -1788.224 where: short stacking energy: -752.441 Base-Backbone interact. energy: 1.259 local terms energy: -800.728637 where: bonds (distance) C4'-P energy: -147.615 bonds (distance) P-C4' energy: -145.088 flat angles C4'-P-C4' energy: -174.659 flat angles P-C4'-P energy: -116.391 tors. eta vs tors. theta energy: -216.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2425.808695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.808695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.808695 (E_RNA) where: Base-Base interactions energy: -1646.757 where: short stacking energy: -711.541 Base-Backbone interact. energy: -1.008 local terms energy: -778.043431 where: bonds (distance) C4'-P energy: -150.873 bonds (distance) P-C4' energy: -148.132 flat angles C4'-P-C4' energy: -179.054 flat angles P-C4'-P energy: -105.556 tors. eta vs tors. theta energy: -194.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2182.799897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.799897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.799897 (E_RNA) where: Base-Base interactions energy: -1461.740 where: short stacking energy: -607.258 Base-Backbone interact. energy: 0.171 local terms energy: -721.230988 where: bonds (distance) C4'-P energy: -152.040 bonds (distance) P-C4' energy: -140.440 flat angles C4'-P-C4' energy: -162.966 flat angles P-C4'-P energy: -102.003 tors. eta vs tors. theta energy: -163.781 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: 155 Temperature: 1.150000 Total energy: -2090.213845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.213845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.213845 (E_RNA) where: Base-Base interactions energy: -1415.663 where: short stacking energy: -620.468 Base-Backbone interact. energy: -3.893 local terms energy: -670.657638 where: bonds (distance) C4'-P energy: -137.267 bonds (distance) P-C4' energy: -132.387 flat angles C4'-P-C4' energy: -137.054 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -153.836 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: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1619.895565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.895565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.895565 (E_RNA) where: Base-Base interactions energy: -1022.205 where: short stacking energy: -476.887 Base-Backbone interact. energy: 3.435 local terms energy: -601.125193 where: bonds (distance) C4'-P energy: -153.731 bonds (distance) P-C4' energy: -138.087 flat angles C4'-P-C4' energy: -139.532 flat angles P-C4'-P energy: -91.276 tors. eta vs tors. theta energy: -78.499 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: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1535.163410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.163410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.163410 (E_RNA) where: Base-Base interactions energy: -918.845 where: short stacking energy: -433.426 Base-Backbone interact. energy: -0.550 local terms energy: -615.768334 where: bonds (distance) C4'-P energy: -123.901 bonds (distance) P-C4' energy: -156.875 flat angles C4'-P-C4' energy: -141.455 flat angles P-C4'-P energy: -95.361 tors. eta vs tors. theta energy: -98.177 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: 2 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1183.223551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.223551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.223551 (E_RNA) where: Base-Base interactions energy: -685.582 where: short stacking energy: -350.434 Base-Backbone interact. energy: 1.430 local terms energy: -499.072262 where: bonds (distance) C4'-P energy: -116.439 bonds (distance) P-C4' energy: -133.637 flat angles C4'-P-C4' energy: -126.948 flat angles P-C4'-P energy: -83.367 tors. eta vs tors. theta energy: -38.682 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: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -927.718189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.718189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.718189 (E_RNA) where: Base-Base interactions energy: -467.096 where: short stacking energy: -251.747 Base-Backbone interact. energy: 6.507 local terms energy: -467.128779 where: bonds (distance) C4'-P energy: -131.709 bonds (distance) P-C4' energy: -118.844 flat angles C4'-P-C4' energy: -105.167 flat angles P-C4'-P energy: -100.783 tors. eta vs tors. theta energy: -10.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2838.961963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.961963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.961963 (E_RNA) where: Base-Base interactions energy: -1934.766 where: short stacking energy: -849.889 Base-Backbone interact. energy: -3.867 local terms energy: -900.329491 where: bonds (distance) C4'-P energy: -170.820 bonds (distance) P-C4' energy: -164.578 flat angles C4'-P-C4' energy: -191.795 flat angles P-C4'-P energy: -114.774 tors. eta vs tors. theta energy: -258.363 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: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2713.264105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.264105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.264105 (E_RNA) where: Base-Base interactions energy: -1849.129 where: short stacking energy: -804.640 Base-Backbone interact. energy: 0.022 local terms energy: -864.157284 where: bonds (distance) C4'-P energy: -164.480 bonds (distance) P-C4' energy: -164.345 flat angles C4'-P-C4' energy: -175.886 flat angles P-C4'-P energy: -122.099 tors. eta vs tors. theta energy: -237.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2507.085367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.085367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.085367 (E_RNA) where: Base-Base interactions energy: -1696.525 where: short stacking energy: -753.151 Base-Backbone interact. energy: -2.829 local terms energy: -807.731489 where: bonds (distance) C4'-P energy: -154.851 bonds (distance) P-C4' energy: -141.684 flat angles C4'-P-C4' energy: -174.776 flat angles P-C4'-P energy: -111.573 tors. eta vs tors. theta energy: -224.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2494.096808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.096808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.096808 (E_RNA) where: Base-Base interactions energy: -1677.236 where: short stacking energy: -711.058 Base-Backbone interact. energy: -3.361 local terms energy: -813.499677 where: bonds (distance) C4'-P energy: -152.363 bonds (distance) P-C4' energy: -166.029 flat angles C4'-P-C4' energy: -170.948 flat angles P-C4'-P energy: -124.090 tors. eta vs tors. theta energy: -200.070 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: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2220.799689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.799689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.799689 (E_RNA) where: Base-Base interactions energy: -1488.191 where: short stacking energy: -624.214 Base-Backbone interact. energy: -1.033 local terms energy: -731.575484 where: bonds (distance) C4'-P energy: -145.807 bonds (distance) P-C4' energy: -133.483 flat angles C4'-P-C4' energy: -157.254 flat angles P-C4'-P energy: -113.021 tors. eta vs tors. theta energy: -182.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2076.867559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.867559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.867559 (E_RNA) where: Base-Base interactions energy: -1383.233 where: short stacking energy: -572.565 Base-Backbone interact. energy: 1.041 local terms energy: -694.675389 where: bonds (distance) C4'-P energy: -139.371 bonds (distance) P-C4' energy: -154.565 flat angles C4'-P-C4' energy: -148.728 flat angles P-C4'-P energy: -101.136 tors. eta vs tors. theta energy: -150.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1670.398721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.398721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.398721 (E_RNA) where: Base-Base interactions energy: -1029.322 where: short stacking energy: -479.149 Base-Backbone interact. energy: 1.913 local terms energy: -642.990159 where: bonds (distance) C4'-P energy: -151.337 bonds (distance) P-C4' energy: -159.303 flat angles C4'-P-C4' energy: -142.084 flat angles P-C4'-P energy: -100.974 tors. eta vs tors. theta energy: -89.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1543.147450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.147450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.147450 (E_RNA) where: Base-Base interactions energy: -952.155 where: short stacking energy: -409.474 Base-Backbone interact. energy: -7.637 local terms energy: -583.355186 where: bonds (distance) C4'-P energy: -133.585 bonds (distance) P-C4' energy: -138.209 flat angles C4'-P-C4' energy: -136.479 flat angles P-C4'-P energy: -101.231 tors. eta vs tors. theta energy: -73.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1206.465476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.465476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.465476 (E_RNA) where: Base-Base interactions energy: -703.284 where: short stacking energy: -352.262 Base-Backbone interact. energy: 1.988 local terms energy: -505.169284 where: bonds (distance) C4'-P energy: -118.770 bonds (distance) P-C4' energy: -152.728 flat angles C4'-P-C4' energy: -116.127 flat angles P-C4'-P energy: -87.131 tors. eta vs tors. theta energy: -30.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -885.474209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.474209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.474209 (E_RNA) where: Base-Base interactions energy: -450.136 where: short stacking energy: -244.387 Base-Backbone interact. energy: -1.784 local terms energy: -433.554810 where: bonds (distance) C4'-P energy: -126.955 bonds (distance) P-C4' energy: -136.650 flat angles C4'-P-C4' energy: -106.719 flat angles P-C4'-P energy: -53.506 tors. eta vs tors. theta energy: -9.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2863.369542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.369542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.369542 (E_RNA) where: Base-Base interactions energy: -1929.806 where: short stacking energy: -825.257 Base-Backbone interact. energy: -5.322 local terms energy: -928.241973 where: bonds (distance) C4'-P energy: -168.222 bonds (distance) P-C4' energy: -171.978 flat angles C4'-P-C4' energy: -205.251 flat angles P-C4'-P energy: -131.265 tors. eta vs tors. theta energy: -251.526 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: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2712.077148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.077148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.077148 (E_RNA) where: Base-Base interactions energy: -1846.736 where: short stacking energy: -797.236 Base-Backbone interact. energy: 0.841 local terms energy: -866.182199 where: bonds (distance) C4'-P energy: -173.867 bonds (distance) P-C4' energy: -154.758 flat angles C4'-P-C4' energy: -180.384 flat angles P-C4'-P energy: -125.587 tors. eta vs tors. theta energy: -231.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2510.565082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.565082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.565082 (E_RNA) where: Base-Base interactions energy: -1685.355 where: short stacking energy: -742.365 Base-Backbone interact. energy: -3.050 local terms energy: -822.159569 where: bonds (distance) C4'-P energy: -146.906 bonds (distance) P-C4' energy: -157.864 flat angles C4'-P-C4' energy: -181.396 flat angles P-C4'-P energy: -120.531 tors. eta vs tors. theta energy: -215.463 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: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2451.484133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.484133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.484133 (E_RNA) where: Base-Base interactions energy: -1648.179 where: short stacking energy: -719.917 Base-Backbone interact. energy: -4.264 local terms energy: -799.040875 where: bonds (distance) C4'-P energy: -150.623 bonds (distance) P-C4' energy: -172.639 flat angles C4'-P-C4' energy: -168.234 flat angles P-C4'-P energy: -106.603 tors. eta vs tors. theta energy: -200.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2197.021518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.021518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.021518 (E_RNA) where: Base-Base interactions energy: -1460.695 where: short stacking energy: -608.769 Base-Backbone interact. energy: -2.853 local terms energy: -733.473203 where: bonds (distance) C4'-P energy: -148.910 bonds (distance) P-C4' energy: -143.207 flat angles C4'-P-C4' energy: -161.128 flat angles P-C4'-P energy: -116.877 tors. eta vs tors. theta energy: -163.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1951.650450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.650450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.650450 (E_RNA) where: Base-Base interactions energy: -1265.553 where: short stacking energy: -529.541 Base-Backbone interact. energy: -5.542 local terms energy: -680.555114 where: bonds (distance) C4'-P energy: -155.220 bonds (distance) P-C4' energy: -144.380 flat angles C4'-P-C4' energy: -168.122 flat angles P-C4'-P energy: -80.535 tors. eta vs tors. theta energy: -132.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1702.687733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.687733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.687733 (E_RNA) where: Base-Base interactions energy: -1064.973 where: short stacking energy: -471.995 Base-Backbone interact. energy: 1.245 local terms energy: -638.960344 where: bonds (distance) C4'-P energy: -132.477 bonds (distance) P-C4' energy: -160.162 flat angles C4'-P-C4' energy: -147.070 flat angles P-C4'-P energy: -106.990 tors. eta vs tors. theta energy: -92.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1496.866124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.866124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.866124 (E_RNA) where: Base-Base interactions energy: -899.335 where: short stacking energy: -427.408 Base-Backbone interact. energy: -1.114 local terms energy: -596.416696 where: bonds (distance) C4'-P energy: -139.007 bonds (distance) P-C4' energy: -153.868 flat angles C4'-P-C4' energy: -138.410 flat angles P-C4'-P energy: -96.899 tors. eta vs tors. theta energy: -68.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1213.377485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.377485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.377485 (E_RNA) where: Base-Base interactions energy: -703.106 where: short stacking energy: -328.208 Base-Backbone interact. energy: -0.641 local terms energy: -509.630093 where: bonds (distance) C4'-P energy: -135.956 bonds (distance) P-C4' energy: -143.143 flat angles C4'-P-C4' energy: -126.569 flat angles P-C4'-P energy: -72.140 tors. eta vs tors. theta energy: -31.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -825.149446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.149446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.149446 (E_RNA) where: Base-Base interactions energy: -400.712 where: short stacking energy: -216.173 Base-Backbone interact. energy: -2.159 local terms energy: -422.278610 where: bonds (distance) C4'-P energy: -124.847 bonds (distance) P-C4' energy: -144.175 flat angles C4'-P-C4' energy: -123.724 flat angles P-C4'-P energy: -48.506 tors. eta vs tors. theta energy: 18.973 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: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2871.232586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.232586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.232586 (E_RNA) where: Base-Base interactions energy: -1946.112 where: short stacking energy: -831.099 Base-Backbone interact. energy: -4.360 local terms energy: -920.760497 where: bonds (distance) C4'-P energy: -158.559 bonds (distance) P-C4' energy: -160.580 flat angles C4'-P-C4' energy: -201.859 flat angles P-C4'-P energy: -148.359 tors. eta vs tors. theta energy: -251.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2759.488621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.488621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.488621 (E_RNA) where: Base-Base interactions energy: -1871.203 where: short stacking energy: -796.345 Base-Backbone interact. energy: -0.775 local terms energy: -887.510403 where: bonds (distance) C4'-P energy: -171.709 bonds (distance) P-C4' energy: -174.476 flat angles C4'-P-C4' energy: -179.926 flat angles P-C4'-P energy: -122.161 tors. eta vs tors. theta energy: -239.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2531.017028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.017028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.017028 (E_RNA) where: Base-Base interactions energy: -1709.402 where: short stacking energy: -739.547 Base-Backbone interact. energy: -3.679 local terms energy: -817.936193 where: bonds (distance) C4'-P energy: -150.223 bonds (distance) P-C4' energy: -158.031 flat angles C4'-P-C4' energy: -177.813 flat angles P-C4'-P energy: -113.742 tors. eta vs tors. theta energy: -218.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2439.600523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.600523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.600523 (E_RNA) where: Base-Base interactions energy: -1659.351 where: short stacking energy: -704.556 Base-Backbone interact. energy: -4.339 local terms energy: -775.910844 where: bonds (distance) C4'-P energy: -143.691 bonds (distance) P-C4' energy: -157.132 flat angles C4'-P-C4' energy: -173.894 flat angles P-C4'-P energy: -109.767 tors. eta vs tors. theta energy: -191.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2198.368872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.368872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.368872 (E_RNA) where: Base-Base interactions energy: -1489.840 where: short stacking energy: -602.608 Base-Backbone interact. energy: -2.248 local terms energy: -706.280938 where: bonds (distance) C4'-P energy: -149.643 bonds (distance) P-C4' energy: -134.181 flat angles C4'-P-C4' energy: -151.929 flat angles P-C4'-P energy: -111.209 tors. eta vs tors. theta energy: -159.319 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: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2047.227192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.227192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.227192 (E_RNA) where: Base-Base interactions energy: -1351.045 where: short stacking energy: -590.221 Base-Backbone interact. energy: -1.243 local terms energy: -694.938540 where: bonds (distance) C4'-P energy: -134.692 bonds (distance) P-C4' energy: -148.379 flat angles C4'-P-C4' energy: -147.931 flat angles P-C4'-P energy: -99.435 tors. eta vs tors. theta energy: -164.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1686.800856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.800856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.800856 (E_RNA) where: Base-Base interactions energy: -1012.755 where: short stacking energy: -463.660 Base-Backbone interact. energy: -4.078 local terms energy: -669.967999 where: bonds (distance) C4'-P energy: -142.591 bonds (distance) P-C4' energy: -158.132 flat angles C4'-P-C4' energy: -157.093 flat angles P-C4'-P energy: -104.242 tors. eta vs tors. theta energy: -107.909 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: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1411.396087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.396087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.396087 (E_RNA) where: Base-Base interactions energy: -848.875 where: short stacking energy: -391.679 Base-Backbone interact. energy: -3.083 local terms energy: -559.438214 where: bonds (distance) C4'-P energy: -146.414 bonds (distance) P-C4' energy: -146.491 flat angles C4'-P-C4' energy: -111.587 flat angles P-C4'-P energy: -81.342 tors. eta vs tors. theta energy: -73.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1244.344614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.344614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.344614 (E_RNA) where: Base-Base interactions energy: -751.067 where: short stacking energy: -352.231 Base-Backbone interact. energy: 1.386 local terms energy: -494.663073 where: bonds (distance) C4'-P energy: -124.260 bonds (distance) P-C4' energy: -141.569 flat angles C4'-P-C4' energy: -111.217 flat angles P-C4'-P energy: -74.067 tors. eta vs tors. theta energy: -43.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -864.321669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.321669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.321669 (E_RNA) where: Base-Base interactions energy: -417.810 where: short stacking energy: -222.988 Base-Backbone interact. energy: -3.614 local terms energy: -442.897592 where: bonds (distance) C4'-P energy: -124.911 bonds (distance) P-C4' energy: -144.568 flat angles C4'-P-C4' energy: -123.980 flat angles P-C4'-P energy: -67.340 tors. eta vs tors. theta energy: 17.902 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: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2889.721645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.721645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.721645 (E_RNA) where: Base-Base interactions energy: -1958.385 where: short stacking energy: -860.276 Base-Backbone interact. energy: -5.875 local terms energy: -925.461789 where: bonds (distance) C4'-P energy: -182.225 bonds (distance) P-C4' energy: -152.869 flat angles C4'-P-C4' energy: -200.729 flat angles P-C4'-P energy: -132.023 tors. eta vs tors. theta energy: -257.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2689.298561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.298561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.298561 (E_RNA) where: Base-Base interactions energy: -1809.373 where: short stacking energy: -785.416 Base-Backbone interact. energy: -3.681 local terms energy: -876.243708 where: bonds (distance) C4'-P energy: -169.194 bonds (distance) P-C4' energy: -170.595 flat angles C4'-P-C4' energy: -183.160 flat angles P-C4'-P energy: -128.288 tors. eta vs tors. theta energy: -225.007 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: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2530.528996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.528996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.528996 (E_RNA) where: Base-Base interactions energy: -1674.485 where: short stacking energy: -725.614 Base-Backbone interact. energy: 2.487 local terms energy: -858.530968 where: bonds (distance) C4'-P energy: -154.172 bonds (distance) P-C4' energy: -173.816 flat angles C4'-P-C4' energy: -191.627 flat angles P-C4'-P energy: -108.568 tors. eta vs tors. theta energy: -230.347 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: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2469.529841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.529841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.529841 (E_RNA) where: Base-Base interactions energy: -1711.066 where: short stacking energy: -704.397 Base-Backbone interact. energy: -4.396 local terms energy: -754.066932 where: bonds (distance) C4'-P energy: -154.391 bonds (distance) P-C4' energy: -150.840 flat angles C4'-P-C4' energy: -174.963 flat angles P-C4'-P energy: -102.520 tors. eta vs tors. theta energy: -171.353 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: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2239.507850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.507850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.507850 (E_RNA) where: Base-Base interactions energy: -1519.500 where: short stacking energy: -650.725 Base-Backbone interact. energy: -2.036 local terms energy: -717.972619 where: bonds (distance) C4'-P energy: -129.983 bonds (distance) P-C4' energy: -128.582 flat angles C4'-P-C4' energy: -175.287 flat angles P-C4'-P energy: -104.284 tors. eta vs tors. theta energy: -179.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1992.111825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.111825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.111825 (E_RNA) where: Base-Base interactions energy: -1309.603 where: short stacking energy: -547.974 Base-Backbone interact. energy: -4.379 local terms energy: -678.129486 where: bonds (distance) C4'-P energy: -125.296 bonds (distance) P-C4' energy: -141.406 flat angles C4'-P-C4' energy: -163.145 flat angles P-C4'-P energy: -110.977 tors. eta vs tors. theta energy: -137.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1644.097898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.097898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.097898 (E_RNA) where: Base-Base interactions energy: -1027.364 where: short stacking energy: -487.738 Base-Backbone interact. energy: 3.039 local terms energy: -619.773063 where: bonds (distance) C4'-P energy: -105.257 bonds (distance) P-C4' energy: -135.930 flat angles C4'-P-C4' energy: -160.830 flat angles P-C4'-P energy: -106.185 tors. eta vs tors. theta energy: -111.571 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: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1478.500007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.500007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.500007 (E_RNA) where: Base-Base interactions energy: -897.765 where: short stacking energy: -406.796 Base-Backbone interact. energy: -2.749 local terms energy: -577.985781 where: bonds (distance) C4'-P energy: -140.832 bonds (distance) P-C4' energy: -146.621 flat angles C4'-P-C4' energy: -121.773 flat angles P-C4'-P energy: -88.933 tors. eta vs tors. theta energy: -79.827 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: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1251.563943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.563943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.563943 (E_RNA) where: Base-Base interactions energy: -762.490 where: short stacking energy: -352.385 Base-Backbone interact. energy: -1.567 local terms energy: -487.507535 where: bonds (distance) C4'-P energy: -109.982 bonds (distance) P-C4' energy: -119.428 flat angles C4'-P-C4' energy: -141.681 flat angles P-C4'-P energy: -78.612 tors. eta vs tors. theta energy: -37.805 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: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -884.322737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.322737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.322737 (E_RNA) where: Base-Base interactions energy: -402.877 where: short stacking energy: -225.760 Base-Backbone interact. energy: 1.234 local terms energy: -482.679478 where: bonds (distance) C4'-P energy: -160.213 bonds (distance) P-C4' energy: -147.711 flat angles C4'-P-C4' energy: -120.657 flat angles P-C4'-P energy: -55.313 tors. eta vs tors. theta energy: 1.214 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: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2894.890766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.890766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.890766 (E_RNA) where: Base-Base interactions energy: -2000.075 where: short stacking energy: -839.435 Base-Backbone interact. energy: -2.374 local terms energy: -892.442371 where: bonds (distance) C4'-P energy: -167.532 bonds (distance) P-C4' energy: -167.015 flat angles C4'-P-C4' energy: -188.560 flat angles P-C4'-P energy: -116.588 tors. eta vs tors. theta energy: -252.747 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: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2717.041113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.041113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.041113 (E_RNA) where: Base-Base interactions energy: -1852.760 where: short stacking energy: -819.996 Base-Backbone interact. energy: -0.470 local terms energy: -863.810938 where: bonds (distance) C4'-P energy: -153.997 bonds (distance) P-C4' energy: -172.286 flat angles C4'-P-C4' energy: -176.794 flat angles P-C4'-P energy: -132.045 tors. eta vs tors. theta energy: -228.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2550.085749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.085749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.085749 (E_RNA) where: Base-Base interactions energy: -1699.171 where: short stacking energy: -733.161 Base-Backbone interact. energy: -1.462 local terms energy: -849.453128 where: bonds (distance) C4'-P energy: -155.703 bonds (distance) P-C4' energy: -158.917 flat angles C4'-P-C4' energy: -183.252 flat angles P-C4'-P energy: -135.847 tors. eta vs tors. theta energy: -215.734 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: 160 Temperature: 1.050000 Total energy: -2457.156048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.156048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.156048 (E_RNA) where: Base-Base interactions energy: -1673.394 where: short stacking energy: -678.109 Base-Backbone interact. energy: -1.588 local terms energy: -782.174442 where: bonds (distance) C4'-P energy: -165.167 bonds (distance) P-C4' energy: -150.700 flat angles C4'-P-C4' energy: -156.053 flat angles P-C4'-P energy: -109.928 tors. eta vs tors. theta energy: -200.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2258.532094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.532094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.532094 (E_RNA) where: Base-Base interactions energy: -1516.047 where: short stacking energy: -656.851 Base-Backbone interact. energy: 0.576 local terms energy: -743.060511 where: bonds (distance) C4'-P energy: -148.848 bonds (distance) P-C4' energy: -159.695 flat angles C4'-P-C4' energy: -156.053 flat angles P-C4'-P energy: -92.102 tors. eta vs tors. theta energy: -186.363 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: 160 Temperature: 1.150000 Total energy: -1990.169408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.169408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.169408 (E_RNA) where: Base-Base interactions energy: -1306.440 where: short stacking energy: -568.050 Base-Backbone interact. energy: -0.300 local terms energy: -683.429274 where: bonds (distance) C4'-P energy: -146.050 bonds (distance) P-C4' energy: -151.318 flat angles C4'-P-C4' energy: -151.878 flat angles P-C4'-P energy: -98.564 tors. eta vs tors. theta energy: -135.619 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: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1718.065977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.065977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.065977 (E_RNA) where: Base-Base interactions energy: -1087.180 where: short stacking energy: -476.564 Base-Backbone interact. energy: 2.956 local terms energy: -633.841968 where: bonds (distance) C4'-P energy: -134.003 bonds (distance) P-C4' energy: -157.854 flat angles C4'-P-C4' energy: -146.000 flat angles P-C4'-P energy: -101.364 tors. eta vs tors. theta energy: -94.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1563.075938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.075938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.075938 (E_RNA) where: Base-Base interactions energy: -932.568 where: short stacking energy: -459.321 Base-Backbone interact. energy: 0.894 local terms energy: -631.401739 where: bonds (distance) C4'-P energy: -155.070 bonds (distance) P-C4' energy: -127.646 flat angles C4'-P-C4' energy: -145.154 flat angles P-C4'-P energy: -99.775 tors. eta vs tors. theta energy: -103.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1218.020549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.020549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.020549 (E_RNA) where: Base-Base interactions energy: -694.793 where: short stacking energy: -297.397 Base-Backbone interact. energy: 0.698 local terms energy: -523.925585 where: bonds (distance) C4'-P energy: -136.253 bonds (distance) P-C4' energy: -156.090 flat angles C4'-P-C4' energy: -129.128 flat angles P-C4'-P energy: -79.131 tors. eta vs tors. theta energy: -23.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -847.806530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.806530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.806530 (E_RNA) where: Base-Base interactions energy: -402.037 where: short stacking energy: -219.154 Base-Backbone interact. energy: 6.640 local terms energy: -452.409632 where: bonds (distance) C4'-P energy: -138.817 bonds (distance) P-C4' energy: -148.761 flat angles C4'-P-C4' energy: -110.893 flat angles P-C4'-P energy: -64.810 tors. eta vs tors. theta energy: 10.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2884.686242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.686242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.686242 (E_RNA) where: Base-Base interactions energy: -1955.818 where: short stacking energy: -839.918 Base-Backbone interact. energy: -5.161 local terms energy: -923.707112 where: bonds (distance) C4'-P energy: -168.377 bonds (distance) P-C4' energy: -185.740 flat angles C4'-P-C4' energy: -190.451 flat angles P-C4'-P energy: -115.156 tors. eta vs tors. theta energy: -263.983 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: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2754.675144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.675144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.675144 (E_RNA) where: Base-Base interactions energy: -1890.246 where: short stacking energy: -799.015 Base-Backbone interact. energy: 3.749 local terms energy: -868.178458 where: bonds (distance) C4'-P energy: -146.933 bonds (distance) P-C4' energy: -169.466 flat angles C4'-P-C4' energy: -193.586 flat angles P-C4'-P energy: -121.544 tors. eta vs tors. theta energy: -236.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2540.101204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.101204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.101204 (E_RNA) where: Base-Base interactions energy: -1723.706 where: short stacking energy: -750.991 Base-Backbone interact. energy: 3.254 local terms energy: -819.649043 where: bonds (distance) C4'-P energy: -153.527 bonds (distance) P-C4' energy: -168.612 flat angles C4'-P-C4' energy: -170.055 flat angles P-C4'-P energy: -106.267 tors. eta vs tors. theta energy: -221.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2515.660898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.660898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.660898 (E_RNA) where: Base-Base interactions energy: -1732.178 where: short stacking energy: -706.863 Base-Backbone interact. energy: -3.705 local terms energy: -779.778605 where: bonds (distance) C4'-P energy: -146.348 bonds (distance) P-C4' energy: -132.795 flat angles C4'-P-C4' energy: -172.979 flat angles P-C4'-P energy: -120.343 tors. eta vs tors. theta energy: -207.314 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: 5, replica: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2212.083786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.083786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.083786 (E_RNA) where: Base-Base interactions energy: -1467.302 where: short stacking energy: -660.207 Base-Backbone interact. energy: -0.440 local terms energy: -744.342039 where: bonds (distance) C4'-P energy: -136.983 bonds (distance) P-C4' energy: -154.280 flat angles C4'-P-C4' energy: -163.504 flat angles P-C4'-P energy: -117.687 tors. eta vs tors. theta energy: -171.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2045.700337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.700337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.700337 (E_RNA) where: Base-Base interactions energy: -1372.051 where: short stacking energy: -578.071 Base-Backbone interact. energy: -1.668 local terms energy: -671.981054 where: bonds (distance) C4'-P energy: -150.500 bonds (distance) P-C4' energy: -131.820 flat angles C4'-P-C4' energy: -157.952 flat angles P-C4'-P energy: -91.733 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: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1722.474521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.474521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.474521 (E_RNA) where: Base-Base interactions energy: -1102.674 where: short stacking energy: -505.439 Base-Backbone interact. energy: 1.177 local terms energy: -620.978091 where: bonds (distance) C4'-P energy: -132.212 bonds (distance) P-C4' energy: -130.160 flat angles C4'-P-C4' energy: -145.361 flat angles P-C4'-P energy: -92.059 tors. eta vs tors. theta energy: -121.186 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: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1518.316546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.316546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.316546 (E_RNA) where: Base-Base interactions energy: -962.298 where: short stacking energy: -455.884 Base-Backbone interact. energy: -1.958 local terms energy: -554.060504 where: bonds (distance) C4'-P energy: -124.670 bonds (distance) P-C4' energy: -129.269 flat angles C4'-P-C4' energy: -142.006 flat angles P-C4'-P energy: -83.044 tors. eta vs tors. theta energy: -75.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1185.412558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.412558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.412558 (E_RNA) where: Base-Base interactions energy: -685.732 where: short stacking energy: -332.022 Base-Backbone interact. energy: -0.951 local terms energy: -498.729312 where: bonds (distance) C4'-P energy: -133.576 bonds (distance) P-C4' energy: -133.609 flat angles C4'-P-C4' energy: -123.948 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -31.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -820.081582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.081582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.081582 (E_RNA) where: Base-Base interactions energy: -431.012 where: short stacking energy: -247.362 Base-Backbone interact. energy: 4.822 local terms energy: -393.891677 where: bonds (distance) C4'-P energy: -100.722 bonds (distance) P-C4' energy: -123.507 flat angles C4'-P-C4' energy: -124.765 flat angles P-C4'-P energy: -46.417 tors. eta vs tors. theta energy: 1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2879.086792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.086792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.086792 (E_RNA) where: Base-Base interactions energy: -1990.470 where: short stacking energy: -841.115 Base-Backbone interact. energy: -2.717 local terms energy: -885.899335 where: bonds (distance) C4'-P energy: -152.303 bonds (distance) P-C4' energy: -150.412 flat angles C4'-P-C4' energy: -187.781 flat angles P-C4'-P energy: -139.754 tors. eta vs tors. theta energy: -255.650 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: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2709.970669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.970669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.970669 (E_RNA) where: Base-Base interactions energy: -1854.076 where: short stacking energy: -778.408 Base-Backbone interact. energy: -3.859 local terms energy: -852.034931 where: bonds (distance) C4'-P energy: -169.975 bonds (distance) P-C4' energy: -163.422 flat angles C4'-P-C4' energy: -176.043 flat angles P-C4'-P energy: -114.876 tors. eta vs tors. theta energy: -227.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2548.278063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.278063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.278063 (E_RNA) where: Base-Base interactions energy: -1716.788 where: short stacking energy: -725.986 Base-Backbone interact. energy: -4.836 local terms energy: -826.653215 where: bonds (distance) C4'-P energy: -157.940 bonds (distance) P-C4' energy: -155.395 flat angles C4'-P-C4' energy: -190.184 flat angles P-C4'-P energy: -117.335 tors. eta vs tors. theta energy: -205.800 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: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2455.097395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.097395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.097395 (E_RNA) where: Base-Base interactions energy: -1650.082 where: short stacking energy: -741.862 Base-Backbone interact. energy: -3.713 local terms energy: -801.302116 where: bonds (distance) C4'-P energy: -151.979 bonds (distance) P-C4' energy: -151.810 flat angles C4'-P-C4' energy: -175.583 flat angles P-C4'-P energy: -109.025 tors. eta vs tors. theta energy: -212.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2237.485012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.485012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.485012 (E_RNA) where: Base-Base interactions energy: -1519.898 where: short stacking energy: -638.901 Base-Backbone interact. energy: 2.769 local terms energy: -720.355576 where: bonds (distance) C4'-P energy: -118.528 bonds (distance) P-C4' energy: -139.039 flat angles C4'-P-C4' energy: -164.893 flat angles P-C4'-P energy: -112.594 tors. eta vs tors. theta energy: -185.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2028.543593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.543593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.543593 (E_RNA) where: Base-Base interactions energy: -1338.599 where: short stacking energy: -567.633 Base-Backbone interact. energy: -0.701 local terms energy: -689.244086 where: bonds (distance) C4'-P energy: -136.487 bonds (distance) P-C4' energy: -148.715 flat angles C4'-P-C4' energy: -164.360 flat angles P-C4'-P energy: -103.868 tors. eta vs tors. theta energy: -135.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1753.437679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.437679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.437679 (E_RNA) where: Base-Base interactions energy: -1091.771 where: short stacking energy: -505.073 Base-Backbone interact. energy: -3.873 local terms energy: -657.793450 where: bonds (distance) C4'-P energy: -151.037 bonds (distance) P-C4' energy: -144.708 flat angles C4'-P-C4' energy: -146.920 flat angles P-C4'-P energy: -102.594 tors. eta vs tors. theta energy: -112.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1519.315442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.315442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.315442 (E_RNA) where: Base-Base interactions energy: -907.085 where: short stacking energy: -433.229 Base-Backbone interact. energy: -3.222 local terms energy: -609.008255 where: bonds (distance) C4'-P energy: -147.072 bonds (distance) P-C4' energy: -158.169 flat angles C4'-P-C4' energy: -139.213 flat angles P-C4'-P energy: -92.684 tors. eta vs tors. theta energy: -71.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1213.642937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.642937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.642937 (E_RNA) where: Base-Base interactions energy: -713.580 where: short stacking energy: -341.278 Base-Backbone interact. energy: -0.985 local terms energy: -499.078430 where: bonds (distance) C4'-P energy: -129.333 bonds (distance) P-C4' energy: -154.948 flat angles C4'-P-C4' energy: -106.983 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -35.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -851.157186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.157186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.157186 (E_RNA) where: Base-Base interactions energy: -409.162 where: short stacking energy: -239.978 Base-Backbone interact. energy: -4.675 local terms energy: -437.320389 where: bonds (distance) C4'-P energy: -136.572 bonds (distance) P-C4' energy: -150.344 flat angles C4'-P-C4' energy: -130.933 flat angles P-C4'-P energy: -19.004 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2859.282513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.282513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.282513 (E_RNA) where: Base-Base interactions energy: -1930.022 where: short stacking energy: -843.721 Base-Backbone interact. energy: -4.298 local terms energy: -924.962869 where: bonds (distance) C4'-P energy: -177.384 bonds (distance) P-C4' energy: -178.690 flat angles C4'-P-C4' energy: -179.999 flat angles P-C4'-P energy: -136.708 tors. eta vs tors. theta energy: -252.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2709.734515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.734515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.734515 (E_RNA) where: Base-Base interactions energy: -1882.943 where: short stacking energy: -792.966 Base-Backbone interact. energy: -2.289 local terms energy: -824.502697 where: bonds (distance) C4'-P energy: -149.726 bonds (distance) P-C4' energy: -146.085 flat angles C4'-P-C4' energy: -184.945 flat angles P-C4'-P energy: -114.290 tors. eta vs tors. theta energy: -229.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2618.175914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.175914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.175914 (E_RNA) where: Base-Base interactions energy: -1780.670 where: short stacking energy: -748.766 Base-Backbone interact. energy: -1.237 local terms energy: -836.269307 where: bonds (distance) C4'-P energy: -150.756 bonds (distance) P-C4' energy: -158.913 flat angles C4'-P-C4' energy: -181.299 flat angles P-C4'-P energy: -114.588 tors. eta vs tors. theta energy: -230.714 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: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2417.955105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.955105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.955105 (E_RNA) where: Base-Base interactions energy: -1598.381 where: short stacking energy: -741.941 Base-Backbone interact. energy: -0.107 local terms energy: -819.466936 where: bonds (distance) C4'-P energy: -160.942 bonds (distance) P-C4' energy: -166.085 flat angles C4'-P-C4' energy: -166.466 flat angles P-C4'-P energy: -113.890 tors. eta vs tors. theta energy: -212.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2223.747937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.747937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.747937 (E_RNA) where: Base-Base interactions energy: -1498.974 where: short stacking energy: -644.070 Base-Backbone interact. energy: -1.112 local terms energy: -723.661859 where: bonds (distance) C4'-P energy: -138.413 bonds (distance) P-C4' energy: -158.676 flat angles C4'-P-C4' energy: -146.098 flat angles P-C4'-P energy: -108.132 tors. eta vs tors. theta energy: -172.342 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: 163 Temperature: 1.150000 Total energy: -2067.680861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.680861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.680861 (E_RNA) where: Base-Base interactions energy: -1402.383 where: short stacking energy: -591.682 Base-Backbone interact. energy: -0.469 local terms energy: -664.828300 where: bonds (distance) C4'-P energy: -133.555 bonds (distance) P-C4' energy: -141.834 flat angles C4'-P-C4' energy: -173.000 flat angles P-C4'-P energy: -73.154 tors. eta vs tors. theta energy: -143.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1706.722458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.722458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.722458 (E_RNA) where: Base-Base interactions energy: -1074.467 where: short stacking energy: -479.979 Base-Backbone interact. energy: -0.212 local terms energy: -632.042918 where: bonds (distance) C4'-P energy: -135.316 bonds (distance) P-C4' energy: -143.099 flat angles C4'-P-C4' energy: -160.863 flat angles P-C4'-P energy: -97.231 tors. eta vs tors. theta energy: -95.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1459.876954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.876954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.876954 (E_RNA) where: Base-Base interactions energy: -897.044 where: short stacking energy: -407.433 Base-Backbone interact. energy: -1.208 local terms energy: -561.624809 where: bonds (distance) C4'-P energy: -136.892 bonds (distance) P-C4' energy: -137.482 flat angles C4'-P-C4' energy: -140.293 flat angles P-C4'-P energy: -78.751 tors. eta vs tors. theta energy: -68.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1246.907959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.907959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.907959 (E_RNA) where: Base-Base interactions energy: -740.649 where: short stacking energy: -347.700 Base-Backbone interact. energy: 6.714 local terms energy: -512.973018 where: bonds (distance) C4'-P energy: -126.921 bonds (distance) P-C4' energy: -151.639 flat angles C4'-P-C4' energy: -129.978 flat angles P-C4'-P energy: -62.101 tors. eta vs tors. theta energy: -42.334 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: 163 Temperature: 1.350000 Total energy: -859.050252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.050252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.050252 (E_RNA) where: Base-Base interactions energy: -428.509 where: short stacking energy: -258.263 Base-Backbone interact. energy: 4.096 local terms energy: -434.636817 where: bonds (distance) C4'-P energy: -123.801 bonds (distance) P-C4' energy: -140.804 flat angles C4'-P-C4' energy: -114.022 flat angles P-C4'-P energy: -64.951 tors. eta vs tors. theta energy: 8.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2894.587104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.587104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.587104 (E_RNA) where: Base-Base interactions energy: -1975.704 where: short stacking energy: -858.930 Base-Backbone interact. energy: -2.606 local terms energy: -916.276821 where: bonds (distance) C4'-P energy: -160.477 bonds (distance) P-C4' energy: -163.486 flat angles C4'-P-C4' energy: -206.303 flat angles P-C4'-P energy: -132.749 tors. eta vs tors. theta energy: -253.262 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: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2749.610942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.610942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.610942 (E_RNA) where: Base-Base interactions energy: -1865.249 where: short stacking energy: -829.178 Base-Backbone interact. energy: -2.891 local terms energy: -881.471538 where: bonds (distance) C4'-P energy: -157.477 bonds (distance) P-C4' energy: -158.720 flat angles C4'-P-C4' energy: -192.359 flat angles P-C4'-P energy: -116.861 tors. eta vs tors. theta energy: -256.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2557.749994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.749994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.749994 (E_RNA) where: Base-Base interactions energy: -1691.452 where: short stacking energy: -736.680 Base-Backbone interact. energy: -3.713 local terms energy: -862.585541 where: bonds (distance) C4'-P energy: -166.726 bonds (distance) P-C4' energy: -163.055 flat angles C4'-P-C4' energy: -200.592 flat angles P-C4'-P energy: -123.752 tors. eta vs tors. theta energy: -208.460 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: 164 Temperature: 1.050000 Total energy: -2416.956151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.956151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.956151 (E_RNA) where: Base-Base interactions energy: -1605.151 where: short stacking energy: -742.452 Base-Backbone interact. energy: 0.917 local terms energy: -812.722122 where: bonds (distance) C4'-P energy: -146.201 bonds (distance) P-C4' energy: -148.625 flat angles C4'-P-C4' energy: -184.862 flat angles P-C4'-P energy: -114.646 tors. eta vs tors. theta energy: -218.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2178.818096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.818096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.818096 (E_RNA) where: Base-Base interactions energy: -1429.430 where: short stacking energy: -636.833 Base-Backbone interact. energy: 2.934 local terms energy: -752.321810 where: bonds (distance) C4'-P energy: -157.789 bonds (distance) P-C4' energy: -154.884 flat angles C4'-P-C4' energy: -157.271 flat angles P-C4'-P energy: -117.251 tors. eta vs tors. theta energy: -165.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2042.193614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.193614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.193614 (E_RNA) where: Base-Base interactions energy: -1352.634 where: short stacking energy: -570.561 Base-Backbone interact. energy: 1.988 local terms energy: -691.547730 where: bonds (distance) C4'-P energy: -125.288 bonds (distance) P-C4' energy: -166.729 flat angles C4'-P-C4' energy: -154.708 flat angles P-C4'-P energy: -98.721 tors. eta vs tors. theta energy: -146.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1745.475605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.475605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.475605 (E_RNA) where: Base-Base interactions energy: -1122.217 where: short stacking energy: -507.829 Base-Backbone interact. energy: -2.181 local terms energy: -621.078313 where: bonds (distance) C4'-P energy: -151.448 bonds (distance) P-C4' energy: -128.823 flat angles C4'-P-C4' energy: -145.472 flat angles P-C4'-P energy: -90.165 tors. eta vs tors. theta energy: -105.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1400.346818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.346818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.346818 (E_RNA) where: Base-Base interactions energy: -808.553 where: short stacking energy: -379.704 Base-Backbone interact. energy: 3.559 local terms energy: -595.352801 where: bonds (distance) C4'-P energy: -140.519 bonds (distance) P-C4' energy: -155.920 flat angles C4'-P-C4' energy: -131.678 flat angles P-C4'-P energy: -94.684 tors. eta vs tors. theta energy: -72.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1241.855710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.855710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.855710 (E_RNA) where: Base-Base interactions energy: -743.365 where: short stacking energy: -333.098 Base-Backbone interact. energy: 11.312 local terms energy: -509.802449 where: bonds (distance) C4'-P energy: -135.849 bonds (distance) P-C4' energy: -140.910 flat angles C4'-P-C4' energy: -142.761 flat angles P-C4'-P energy: -60.447 tors. eta vs tors. theta energy: -29.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -782.665913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.665913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.665913 (E_RNA) where: Base-Base interactions energy: -338.534 where: short stacking energy: -197.486 Base-Backbone interact. energy: -2.486 local terms energy: -441.646358 where: bonds (distance) C4'-P energy: -153.915 bonds (distance) P-C4' energy: -152.465 flat angles C4'-P-C4' energy: -105.093 flat angles P-C4'-P energy: -71.593 tors. eta vs tors. theta energy: 41.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2889.299402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.299402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.299402 (E_RNA) where: Base-Base interactions energy: -2009.660 where: short stacking energy: -855.328 Base-Backbone interact. energy: -5.825 local terms energy: -873.815163 where: bonds (distance) C4'-P energy: -156.803 bonds (distance) P-C4' energy: -153.829 flat angles C4'-P-C4' energy: -199.701 flat angles P-C4'-P energy: -116.386 tors. eta vs tors. theta energy: -247.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2760.413623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.413623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.413623 (E_RNA) where: Base-Base interactions energy: -1879.137 where: short stacking energy: -832.352 Base-Backbone interact. energy: 3.632 local terms energy: -884.908911 where: bonds (distance) C4'-P energy: -159.097 bonds (distance) P-C4' energy: -171.669 flat angles C4'-P-C4' energy: -188.244 flat angles P-C4'-P energy: -129.656 tors. eta vs tors. theta energy: -236.242 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: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2583.446664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.446664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.446664 (E_RNA) where: Base-Base interactions energy: -1769.928 where: short stacking energy: -750.313 Base-Backbone interact. energy: -2.720 local terms energy: -810.798802 where: bonds (distance) C4'-P energy: -161.371 bonds (distance) P-C4' energy: -166.299 flat angles C4'-P-C4' energy: -161.704 flat angles P-C4'-P energy: -108.470 tors. eta vs tors. theta energy: -212.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2433.694724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.694724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.694724 (E_RNA) where: Base-Base interactions energy: -1653.950 where: short stacking energy: -731.361 Base-Backbone interact. energy: -3.221 local terms energy: -776.523429 where: bonds (distance) C4'-P energy: -134.237 bonds (distance) P-C4' energy: -143.563 flat angles C4'-P-C4' energy: -171.318 flat angles P-C4'-P energy: -113.795 tors. eta vs tors. theta energy: -213.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2227.388041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.388041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.388041 (E_RNA) where: Base-Base interactions energy: -1487.586 where: short stacking energy: -621.940 Base-Backbone interact. energy: -1.434 local terms energy: -738.368192 where: bonds (distance) C4'-P energy: -146.886 bonds (distance) P-C4' energy: -132.696 flat angles C4'-P-C4' energy: -170.279 flat angles P-C4'-P energy: -105.919 tors. eta vs tors. theta energy: -182.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2050.316055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.316055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.316055 (E_RNA) where: Base-Base interactions energy: -1355.806 where: short stacking energy: -569.857 Base-Backbone interact. energy: -5.394 local terms energy: -689.116585 where: bonds (distance) C4'-P energy: -127.449 bonds (distance) P-C4' energy: -148.123 flat angles C4'-P-C4' energy: -155.542 flat angles P-C4'-P energy: -101.698 tors. eta vs tors. theta energy: -156.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1636.343210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.343210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.343210 (E_RNA) where: Base-Base interactions energy: -1002.067 where: short stacking energy: -444.613 Base-Backbone interact. energy: -0.852 local terms energy: -633.423902 where: bonds (distance) C4'-P energy: -141.037 bonds (distance) P-C4' energy: -150.234 flat angles C4'-P-C4' energy: -150.828 flat angles P-C4'-P energy: -90.602 tors. eta vs tors. theta energy: -100.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1435.755656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.755656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.755656 (E_RNA) where: Base-Base interactions energy: -823.227 where: short stacking energy: -383.795 Base-Backbone interact. energy: 2.379 local terms energy: -614.907876 where: bonds (distance) C4'-P energy: -129.458 bonds (distance) P-C4' energy: -151.294 flat angles C4'-P-C4' energy: -145.543 flat angles P-C4'-P energy: -94.933 tors. eta vs tors. theta energy: -93.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1230.484584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.484584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.484584 (E_RNA) where: Base-Base interactions energy: -690.735 where: short stacking energy: -322.562 Base-Backbone interact. energy: -2.804 local terms energy: -536.945565 where: bonds (distance) C4'-P energy: -142.881 bonds (distance) P-C4' energy: -141.797 flat angles C4'-P-C4' energy: -121.553 flat angles P-C4'-P energy: -94.034 tors. eta vs tors. theta energy: -36.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -863.521795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.521795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.521795 (E_RNA) where: Base-Base interactions energy: -407.874 where: short stacking energy: -222.306 Base-Backbone interact. energy: 0.992 local terms energy: -456.639885 where: bonds (distance) C4'-P energy: -131.280 bonds (distance) P-C4' energy: -146.773 flat angles C4'-P-C4' energy: -111.905 flat angles P-C4'-P energy: -63.877 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2897.925164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.925164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.925164 (E_RNA) where: Base-Base interactions energy: -1987.863 where: short stacking energy: -801.388 Base-Backbone interact. energy: -2.938 local terms energy: -907.124699 where: bonds (distance) C4'-P energy: -179.980 bonds (distance) P-C4' energy: -162.728 flat angles C4'-P-C4' energy: -196.279 flat angles P-C4'-P energy: -125.093 tors. eta vs tors. theta energy: -243.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2715.985416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.985416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.985416 (E_RNA) where: Base-Base interactions energy: -1850.232 where: short stacking energy: -816.631 Base-Backbone interact. energy: -0.139 local terms energy: -865.614642 where: bonds (distance) C4'-P energy: -149.471 bonds (distance) P-C4' energy: -165.862 flat angles C4'-P-C4' energy: -175.325 flat angles P-C4'-P energy: -130.940 tors. eta vs tors. theta energy: -244.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2608.815956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.815956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.815956 (E_RNA) where: Base-Base interactions energy: -1773.489 where: short stacking energy: -763.031 Base-Backbone interact. energy: -5.545 local terms energy: -829.782383 where: bonds (distance) C4'-P energy: -166.313 bonds (distance) P-C4' energy: -146.260 flat angles C4'-P-C4' energy: -173.863 flat angles P-C4'-P energy: -123.685 tors. eta vs tors. theta energy: -219.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2436.164683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.164683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.164683 (E_RNA) where: Base-Base interactions energy: -1620.152 where: short stacking energy: -699.433 Base-Backbone interact. energy: -0.392 local terms energy: -815.621133 where: bonds (distance) C4'-P energy: -153.561 bonds (distance) P-C4' energy: -161.745 flat angles C4'-P-C4' energy: -172.964 flat angles P-C4'-P energy: -119.180 tors. eta vs tors. theta energy: -208.171 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: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2205.939747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.939747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.939747 (E_RNA) where: Base-Base interactions energy: -1473.926 where: short stacking energy: -641.140 Base-Backbone interact. energy: -0.992 local terms energy: -731.021797 where: bonds (distance) C4'-P energy: -144.742 bonds (distance) P-C4' energy: -143.733 flat angles C4'-P-C4' energy: -164.620 flat angles P-C4'-P energy: -103.981 tors. eta vs tors. theta energy: -173.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2075.793368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.793368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.793368 (E_RNA) where: Base-Base interactions energy: -1388.241 where: short stacking energy: -569.043 Base-Backbone interact. energy: -0.068 local terms energy: -687.484887 where: bonds (distance) C4'-P energy: -150.113 bonds (distance) P-C4' energy: -148.593 flat angles C4'-P-C4' energy: -147.055 flat angles P-C4'-P energy: -89.583 tors. eta vs tors. theta energy: -152.142 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: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1711.187318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.187318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.187318 (E_RNA) where: Base-Base interactions energy: -1138.066 where: short stacking energy: -500.206 Base-Backbone interact. energy: -1.732 local terms energy: -571.389406 where: bonds (distance) C4'-P energy: -132.159 bonds (distance) P-C4' energy: -133.980 flat angles C4'-P-C4' energy: -125.222 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -108.683 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: 5 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1442.033692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.033692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.033692 (E_RNA) where: Base-Base interactions energy: -826.439 where: short stacking energy: -425.926 Base-Backbone interact. energy: -3.780 local terms energy: -611.815519 where: bonds (distance) C4'-P energy: -148.666 bonds (distance) P-C4' energy: -141.642 flat angles C4'-P-C4' energy: -136.668 flat angles P-C4'-P energy: -99.051 tors. eta vs tors. theta energy: -85.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1200.969270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.969270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.969270 (E_RNA) where: Base-Base interactions energy: -684.135 where: short stacking energy: -319.468 Base-Backbone interact. energy: 1.181 local terms energy: -518.015308 where: bonds (distance) C4'-P energy: -124.574 bonds (distance) P-C4' energy: -153.113 flat angles C4'-P-C4' energy: -116.480 flat angles P-C4'-P energy: -101.015 tors. eta vs tors. theta energy: -22.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -848.368566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.368566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.368566 (E_RNA) where: Base-Base interactions energy: -407.199 where: short stacking energy: -246.529 Base-Backbone interact. energy: 3.640 local terms energy: -444.809206 where: bonds (distance) C4'-P energy: -113.285 bonds (distance) P-C4' energy: -130.562 flat angles C4'-P-C4' energy: -136.831 flat angles P-C4'-P energy: -74.200 tors. eta vs tors. theta energy: 10.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2874.932432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.932432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.932432 (E_RNA) where: Base-Base interactions energy: -1982.986 where: short stacking energy: -849.928 Base-Backbone interact. energy: -2.737 local terms energy: -889.209014 where: bonds (distance) C4'-P energy: -157.693 bonds (distance) P-C4' energy: -158.554 flat angles C4'-P-C4' energy: -194.033 flat angles P-C4'-P energy: -117.073 tors. eta vs tors. theta energy: -261.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2732.256464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.256464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.256464 (E_RNA) where: Base-Base interactions energy: -1844.581 where: short stacking energy: -800.936 Base-Backbone interact. energy: -3.110 local terms energy: -884.565121 where: bonds (distance) C4'-P energy: -154.435 bonds (distance) P-C4' energy: -165.075 flat angles C4'-P-C4' energy: -194.344 flat angles P-C4'-P energy: -133.522 tors. eta vs tors. theta energy: -237.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2648.329077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.329077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.329077 (E_RNA) where: Base-Base interactions energy: -1841.952 where: short stacking energy: -758.431 Base-Backbone interact. energy: -0.357 local terms energy: -806.020127 where: bonds (distance) C4'-P energy: -146.733 bonds (distance) P-C4' energy: -145.665 flat angles C4'-P-C4' energy: -178.474 flat angles P-C4'-P energy: -119.977 tors. eta vs tors. theta energy: -215.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2473.417059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.417059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.417059 (E_RNA) where: Base-Base interactions energy: -1649.569 where: short stacking energy: -720.634 Base-Backbone interact. energy: -0.980 local terms energy: -822.867554 where: bonds (distance) C4'-P energy: -164.465 bonds (distance) P-C4' energy: -146.896 flat angles C4'-P-C4' energy: -169.649 flat angles P-C4'-P energy: -115.247 tors. eta vs tors. theta energy: -226.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2218.778291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.778291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.778291 (E_RNA) where: Base-Base interactions energy: -1460.200 where: short stacking energy: -597.094 Base-Backbone interact. energy: -2.663 local terms energy: -755.915851 where: bonds (distance) C4'-P energy: -156.096 bonds (distance) P-C4' energy: -169.914 flat angles C4'-P-C4' energy: -160.652 flat angles P-C4'-P energy: -104.202 tors. eta vs tors. theta energy: -165.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2033.003785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.003785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.003785 (E_RNA) where: Base-Base interactions energy: -1305.165 where: short stacking energy: -556.039 Base-Backbone interact. energy: -2.081 local terms energy: -725.757274 where: bonds (distance) C4'-P energy: -162.037 bonds (distance) P-C4' energy: -156.934 flat angles C4'-P-C4' energy: -154.707 flat angles P-C4'-P energy: -117.627 tors. eta vs tors. theta energy: -134.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1658.537125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.537125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.537125 (E_RNA) where: Base-Base interactions energy: -1054.331 where: short stacking energy: -467.788 Base-Backbone interact. energy: 1.319 local terms energy: -605.525048 where: bonds (distance) C4'-P energy: -134.650 bonds (distance) P-C4' energy: -134.411 flat angles C4'-P-C4' energy: -148.554 flat angles P-C4'-P energy: -86.790 tors. eta vs tors. theta energy: -101.121 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: 8, replica: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1458.544103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.544103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.544103 (E_RNA) where: Base-Base interactions energy: -910.069 where: short stacking energy: -409.087 Base-Backbone interact. energy: -1.471 local terms energy: -547.003443 where: bonds (distance) C4'-P energy: -139.882 bonds (distance) P-C4' energy: -133.881 flat angles C4'-P-C4' energy: -142.361 flat angles P-C4'-P energy: -74.038 tors. eta vs tors. theta energy: -56.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1168.392121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.392121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.392121 (E_RNA) where: Base-Base interactions energy: -665.281 where: short stacking energy: -350.269 Base-Backbone interact. energy: -2.416 local terms energy: -500.695563 where: bonds (distance) C4'-P energy: -139.809 bonds (distance) P-C4' energy: -140.835 flat angles C4'-P-C4' energy: -117.927 flat angles P-C4'-P energy: -63.265 tors. eta vs tors. theta energy: -38.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -757.401194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.401194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.401194 (E_RNA) where: Base-Base interactions energy: -335.390 where: short stacking energy: -184.506 Base-Backbone interact. energy: 1.842 local terms energy: -423.853178 where: bonds (distance) C4'-P energy: -141.721 bonds (distance) P-C4' energy: -153.613 flat angles C4'-P-C4' energy: -99.208 flat angles P-C4'-P energy: -67.264 tors. eta vs tors. theta energy: 37.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2863.988493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.988493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.988493 (E_RNA) where: Base-Base interactions energy: -1954.763 where: short stacking energy: -824.044 Base-Backbone interact. energy: -4.580 local terms energy: -904.645424 where: bonds (distance) C4'-P energy: -170.416 bonds (distance) P-C4' energy: -176.204 flat angles C4'-P-C4' energy: -183.330 flat angles P-C4'-P energy: -119.377 tors. eta vs tors. theta energy: -255.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2715.984981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.984981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.984981 (E_RNA) where: Base-Base interactions energy: -1883.563 where: short stacking energy: -817.461 Base-Backbone interact. energy: 6.413 local terms energy: -838.835047 where: bonds (distance) C4'-P energy: -152.225 bonds (distance) P-C4' energy: -172.861 flat angles C4'-P-C4' energy: -179.270 flat angles P-C4'-P energy: -99.084 tors. eta vs tors. theta energy: -235.395 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: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2594.306185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.306185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.306185 (E_RNA) where: Base-Base interactions energy: -1790.446 where: short stacking energy: -738.655 Base-Backbone interact. energy: -3.615 local terms energy: -800.245362 where: bonds (distance) C4'-P energy: -142.067 bonds (distance) P-C4' energy: -168.070 flat angles C4'-P-C4' energy: -179.362 flat angles P-C4'-P energy: -106.423 tors. eta vs tors. theta energy: -204.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2503.117935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.117935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.117935 (E_RNA) where: Base-Base interactions energy: -1698.355 where: short stacking energy: -742.044 Base-Backbone interact. energy: 0.575 local terms energy: -805.337627 where: bonds (distance) C4'-P energy: -162.107 bonds (distance) P-C4' energy: -156.216 flat angles C4'-P-C4' energy: -169.873 flat angles P-C4'-P energy: -108.378 tors. eta vs tors. theta energy: -208.764 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: 5, replica: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2248.214519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.214519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.214519 (E_RNA) where: Base-Base interactions energy: -1507.214 where: short stacking energy: -638.134 Base-Backbone interact. energy: -3.833 local terms energy: -737.167135 where: bonds (distance) C4'-P energy: -143.517 bonds (distance) P-C4' energy: -151.102 flat angles C4'-P-C4' energy: -147.207 flat angles P-C4'-P energy: -124.982 tors. eta vs tors. theta energy: -170.358 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: 168 Temperature: 1.150000 Total energy: -2038.658607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.658607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.658607 (E_RNA) where: Base-Base interactions energy: -1372.301 where: short stacking energy: -571.955 Base-Backbone interact. energy: -4.319 local terms energy: -662.038210 where: bonds (distance) C4'-P energy: -138.668 bonds (distance) P-C4' energy: -140.276 flat angles C4'-P-C4' energy: -150.887 flat angles P-C4'-P energy: -97.595 tors. eta vs tors. theta energy: -134.612 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: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1681.433806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.433806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.433806 (E_RNA) where: Base-Base interactions energy: -1082.241 where: short stacking energy: -501.228 Base-Backbone interact. energy: -1.183 local terms energy: -598.009785 where: bonds (distance) C4'-P energy: -132.198 bonds (distance) P-C4' energy: -133.412 flat angles C4'-P-C4' energy: -128.325 flat angles P-C4'-P energy: -94.541 tors. eta vs tors. theta energy: -109.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1476.631681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.631681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.631681 (E_RNA) where: Base-Base interactions energy: -868.614 where: short stacking energy: -421.174 Base-Backbone interact. energy: -1.741 local terms energy: -606.276276 where: bonds (distance) C4'-P energy: -152.764 bonds (distance) P-C4' energy: -150.900 flat angles C4'-P-C4' energy: -144.902 flat angles P-C4'-P energy: -86.448 tors. eta vs tors. theta energy: -71.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1105.686869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.686869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.686869 (E_RNA) where: Base-Base interactions energy: -626.284 where: short stacking energy: -319.444 Base-Backbone interact. energy: 0.499 local terms energy: -479.902003 where: bonds (distance) C4'-P energy: -125.874 bonds (distance) P-C4' energy: -142.941 flat angles C4'-P-C4' energy: -127.332 flat angles P-C4'-P energy: -47.689 tors. eta vs tors. theta energy: -36.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -753.094565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.094565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.094565 (E_RNA) where: Base-Base interactions energy: -345.025 where: short stacking energy: -210.283 Base-Backbone interact. energy: 2.840 local terms energy: -410.909173 where: bonds (distance) C4'-P energy: -121.733 bonds (distance) P-C4' energy: -124.973 flat angles C4'-P-C4' energy: -120.809 flat angles P-C4'-P energy: -61.818 tors. eta vs tors. theta energy: 18.423 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: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2869.034242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.034242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.034242 (E_RNA) where: Base-Base interactions energy: -1959.458 where: short stacking energy: -831.559 Base-Backbone interact. energy: -4.478 local terms energy: -905.098551 where: bonds (distance) C4'-P energy: -176.295 bonds (distance) P-C4' energy: -152.811 flat angles C4'-P-C4' energy: -193.551 flat angles P-C4'-P energy: -123.926 tors. eta vs tors. theta energy: -258.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2749.020641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.020641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.020641 (E_RNA) where: Base-Base interactions energy: -1868.722 where: short stacking energy: -778.586 Base-Backbone interact. energy: -4.176 local terms energy: -876.122773 where: bonds (distance) C4'-P energy: -162.387 bonds (distance) P-C4' energy: -172.261 flat angles C4'-P-C4' energy: -181.934 flat angles P-C4'-P energy: -128.434 tors. eta vs tors. theta energy: -231.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2580.221939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.221939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.221939 (E_RNA) where: Base-Base interactions energy: -1742.555 where: short stacking energy: -732.507 Base-Backbone interact. energy: -5.880 local terms energy: -831.786674 where: bonds (distance) C4'-P energy: -139.828 bonds (distance) P-C4' energy: -173.999 flat angles C4'-P-C4' energy: -182.167 flat angles P-C4'-P energy: -130.377 tors. eta vs tors. theta energy: -205.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2496.435557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.435557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.435557 (E_RNA) where: Base-Base interactions energy: -1682.758 where: short stacking energy: -733.016 Base-Backbone interact. energy: -2.202 local terms energy: -811.475463 where: bonds (distance) C4'-P energy: -159.143 bonds (distance) P-C4' energy: -141.123 flat angles C4'-P-C4' energy: -183.028 flat angles P-C4'-P energy: -112.694 tors. eta vs tors. theta energy: -215.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2215.707771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.707771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.707771 (E_RNA) where: Base-Base interactions energy: -1447.697 where: short stacking energy: -620.728 Base-Backbone interact. energy: -5.118 local terms energy: -762.892922 where: bonds (distance) C4'-P energy: -141.100 bonds (distance) P-C4' energy: -157.562 flat angles C4'-P-C4' energy: -159.043 flat angles P-C4'-P energy: -125.031 tors. eta vs tors. theta energy: -180.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2068.860020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.860020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.860020 (E_RNA) where: Base-Base interactions energy: -1355.456 where: short stacking energy: -548.134 Base-Backbone interact. energy: 0.115 local terms energy: -713.519596 where: bonds (distance) C4'-P energy: -147.451 bonds (distance) P-C4' energy: -150.238 flat angles C4'-P-C4' energy: -152.984 flat angles P-C4'-P energy: -121.369 tors. eta vs tors. theta energy: -141.477 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: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1623.866947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.866947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.866947 (E_RNA) where: Base-Base interactions energy: -1002.131 where: short stacking energy: -411.297 Base-Backbone interact. energy: -4.078 local terms energy: -617.658022 where: bonds (distance) C4'-P energy: -158.705 bonds (distance) P-C4' energy: -133.587 flat angles C4'-P-C4' energy: -157.098 flat angles P-C4'-P energy: -84.553 tors. eta vs tors. theta energy: -83.715 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: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1444.988452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.988452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.988452 (E_RNA) where: Base-Base interactions energy: -898.780 where: short stacking energy: -401.200 Base-Backbone interact. energy: 3.036 local terms energy: -549.244895 where: bonds (distance) C4'-P energy: -151.403 bonds (distance) P-C4' energy: -118.955 flat angles C4'-P-C4' energy: -131.074 flat angles P-C4'-P energy: -84.756 tors. eta vs tors. theta energy: -63.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1149.898483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.898483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.898483 (E_RNA) where: Base-Base interactions energy: -651.213 where: short stacking energy: -330.267 Base-Backbone interact. energy: 5.169 local terms energy: -503.854366 where: bonds (distance) C4'-P energy: -134.673 bonds (distance) P-C4' energy: -131.668 flat angles C4'-P-C4' energy: -135.768 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: -25.195 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: 169 Temperature: 1.350000 Total energy: -801.120257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.120257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.120257 (E_RNA) where: Base-Base interactions energy: -379.123 where: short stacking energy: -236.060 Base-Backbone interact. energy: 11.386 local terms energy: -433.383954 where: bonds (distance) C4'-P energy: -133.386 bonds (distance) P-C4' energy: -149.307 flat angles C4'-P-C4' energy: -107.183 flat angles P-C4'-P energy: -59.461 tors. eta vs tors. theta energy: 15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2843.061798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.061798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.061798 (E_RNA) where: Base-Base interactions energy: -1974.137 where: short stacking energy: -829.985 Base-Backbone interact. energy: -4.355 local terms energy: -864.569763 where: bonds (distance) C4'-P energy: -163.529 bonds (distance) P-C4' energy: -143.229 flat angles C4'-P-C4' energy: -192.258 flat angles P-C4'-P energy: -117.814 tors. eta vs tors. theta energy: -247.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2756.058831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.058831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.058831 (E_RNA) where: Base-Base interactions energy: -1896.150 where: short stacking energy: -814.562 Base-Backbone interact. energy: -1.976 local terms energy: -857.933571 where: bonds (distance) C4'-P energy: -152.715 bonds (distance) P-C4' energy: -153.626 flat angles C4'-P-C4' energy: -192.911 flat angles P-C4'-P energy: -115.449 tors. eta vs tors. theta energy: -243.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2647.031369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.031369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.031369 (E_RNA) where: Base-Base interactions energy: -1791.510 where: short stacking energy: -753.398 Base-Backbone interact. energy: -3.081 local terms energy: -852.440196 where: bonds (distance) C4'-P energy: -145.802 bonds (distance) P-C4' energy: -164.415 flat angles C4'-P-C4' energy: -192.966 flat angles P-C4'-P energy: -126.410 tors. eta vs tors. theta energy: -222.847 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: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2461.623307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.623307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.623307 (E_RNA) where: Base-Base interactions energy: -1644.030 where: short stacking energy: -719.591 Base-Backbone interact. energy: -1.073 local terms energy: -816.520472 where: bonds (distance) C4'-P energy: -142.985 bonds (distance) P-C4' energy: -168.441 flat angles C4'-P-C4' energy: -177.666 flat angles P-C4'-P energy: -112.259 tors. eta vs tors. theta energy: -215.170 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: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2218.838471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.838471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.838471 (E_RNA) where: Base-Base interactions energy: -1502.358 where: short stacking energy: -636.291 Base-Backbone interact. energy: 0.952 local terms energy: -717.432729 where: bonds (distance) C4'-P energy: -134.982 bonds (distance) P-C4' energy: -138.488 flat angles C4'-P-C4' energy: -174.346 flat angles P-C4'-P energy: -97.931 tors. eta vs tors. theta energy: -171.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2084.278055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.278055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.278055 (E_RNA) where: Base-Base interactions energy: -1360.744 where: short stacking energy: -588.747 Base-Backbone interact. energy: -4.149 local terms energy: -719.385179 where: bonds (distance) C4'-P energy: -164.009 bonds (distance) P-C4' energy: -150.628 flat angles C4'-P-C4' energy: -142.218 flat angles P-C4'-P energy: -102.068 tors. eta vs tors. theta energy: -160.461 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: 7, replica: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1633.341166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.341166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.341166 (E_RNA) where: Base-Base interactions energy: -1005.890 where: short stacking energy: -447.642 Base-Backbone interact. energy: -3.071 local terms energy: -624.380050 where: bonds (distance) C4'-P energy: -125.929 bonds (distance) P-C4' energy: -162.632 flat angles C4'-P-C4' energy: -164.209 flat angles P-C4'-P energy: -83.293 tors. eta vs tors. theta energy: -88.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1453.802304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.802304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.802304 (E_RNA) where: Base-Base interactions energy: -866.354 where: short stacking energy: -430.447 Base-Backbone interact. energy: 7.334 local terms energy: -594.782031 where: bonds (distance) C4'-P energy: -144.206 bonds (distance) P-C4' energy: -151.370 flat angles C4'-P-C4' energy: -133.872 flat angles P-C4'-P energy: -90.190 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: 9, replica: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1127.395263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.395263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.395263 (E_RNA) where: Base-Base interactions energy: -635.033 where: short stacking energy: -322.654 Base-Backbone interact. energy: -3.250 local terms energy: -489.112889 where: bonds (distance) C4'-P energy: -134.139 bonds (distance) P-C4' energy: -141.305 flat angles C4'-P-C4' energy: -123.142 flat angles P-C4'-P energy: -63.794 tors. eta vs tors. theta energy: -26.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -831.747240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.747240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.747240 (E_RNA) where: Base-Base interactions energy: -365.748 where: short stacking energy: -241.967 Base-Backbone interact. energy: 0.235 local terms energy: -466.233541 where: bonds (distance) C4'-P energy: -140.985 bonds (distance) P-C4' energy: -152.413 flat angles C4'-P-C4' energy: -119.289 flat angles P-C4'-P energy: -48.926 tors. eta vs tors. theta energy: -4.620 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: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2855.796970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.796970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.796970 (E_RNA) where: Base-Base interactions energy: -1949.564 where: short stacking energy: -828.810 Base-Backbone interact. energy: -2.550 local terms energy: -903.683143 where: bonds (distance) C4'-P energy: -159.337 bonds (distance) P-C4' energy: -180.561 flat angles C4'-P-C4' energy: -195.964 flat angles P-C4'-P energy: -122.949 tors. eta vs tors. theta energy: -244.871 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: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2726.420612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.420612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.420612 (E_RNA) where: Base-Base interactions energy: -1842.407 where: short stacking energy: -788.654 Base-Backbone interact. energy: -3.736 local terms energy: -880.277260 where: bonds (distance) C4'-P energy: -171.281 bonds (distance) P-C4' energy: -165.334 flat angles C4'-P-C4' energy: -195.553 flat angles P-C4'-P energy: -119.644 tors. eta vs tors. theta energy: -228.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2682.272764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.272764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.272764 (E_RNA) where: Base-Base interactions energy: -1838.110 where: short stacking energy: -801.546 Base-Backbone interact. energy: -2.403 local terms energy: -841.760070 where: bonds (distance) C4'-P energy: -160.377 bonds (distance) P-C4' energy: -149.567 flat angles C4'-P-C4' energy: -182.455 flat angles P-C4'-P energy: -118.205 tors. eta vs tors. theta energy: -231.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2543.525493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.525493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.525493 (E_RNA) where: Base-Base interactions energy: -1693.818 where: short stacking energy: -775.504 Base-Backbone interact. energy: 0.052 local terms energy: -849.759612 where: bonds (distance) C4'-P energy: -157.273 bonds (distance) P-C4' energy: -161.096 flat angles C4'-P-C4' energy: -175.063 flat angles P-C4'-P energy: -118.107 tors. eta vs tors. theta energy: -238.221 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: 5, replica: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2175.499998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.499998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.499998 (E_RNA) where: Base-Base interactions energy: -1427.394 where: short stacking energy: -618.251 Base-Backbone interact. energy: -1.847 local terms energy: -746.258125 where: bonds (distance) C4'-P energy: -158.890 bonds (distance) P-C4' energy: -146.743 flat angles C4'-P-C4' energy: -170.853 flat angles P-C4'-P energy: -109.410 tors. eta vs tors. theta energy: -160.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2098.276766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.276766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.276766 (E_RNA) where: Base-Base interactions energy: -1415.738 where: short stacking energy: -600.837 Base-Backbone interact. energy: -2.521 local terms energy: -680.017499 where: bonds (distance) C4'-P energy: -131.011 bonds (distance) P-C4' energy: -136.536 flat angles C4'-P-C4' energy: -170.759 flat angles P-C4'-P energy: -91.218 tors. eta vs tors. theta energy: -150.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1563.710127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.710127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.710127 (E_RNA) where: Base-Base interactions energy: -975.480 where: short stacking energy: -429.765 Base-Backbone interact. energy: 2.302 local terms energy: -590.531188 where: bonds (distance) C4'-P energy: -139.013 bonds (distance) P-C4' energy: -141.008 flat angles C4'-P-C4' energy: -130.983 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: -85.132 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: 8, replica: 5 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1408.144032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.144032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.144032 (E_RNA) where: Base-Base interactions energy: -828.191 where: short stacking energy: -387.331 Base-Backbone interact. energy: -1.140 local terms energy: -578.813337 where: bonds (distance) C4'-P energy: -141.855 bonds (distance) P-C4' energy: -151.947 flat angles C4'-P-C4' energy: -146.381 flat angles P-C4'-P energy: -80.253 tors. eta vs tors. theta energy: -58.377 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: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1127.525865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.525865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.525865 (E_RNA) where: Base-Base interactions energy: -623.531 where: short stacking energy: -325.600 Base-Backbone interact. energy: 1.811 local terms energy: -505.805925 where: bonds (distance) C4'-P energy: -142.848 bonds (distance) P-C4' energy: -126.087 flat angles C4'-P-C4' energy: -114.702 flat angles P-C4'-P energy: -78.822 tors. eta vs tors. theta energy: -43.347 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: 171 Temperature: 1.350000 Total energy: -834.043446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.043446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.043446 (E_RNA) where: Base-Base interactions energy: -428.761 where: short stacking energy: -246.457 Base-Backbone interact. energy: 5.673 local terms energy: -410.955338 where: bonds (distance) C4'-P energy: -114.471 bonds (distance) P-C4' energy: -124.741 flat angles C4'-P-C4' energy: -102.797 flat angles P-C4'-P energy: -59.309 tors. eta vs tors. theta energy: -9.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2867.760153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.760153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.760153 (E_RNA) where: Base-Base interactions energy: -1956.146 where: short stacking energy: -818.111 Base-Backbone interact. energy: -0.840 local terms energy: -910.773601 where: bonds (distance) C4'-P energy: -179.433 bonds (distance) P-C4' energy: -174.263 flat angles C4'-P-C4' energy: -186.866 flat angles P-C4'-P energy: -123.471 tors. eta vs tors. theta energy: -246.739 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: 2, replica: 3 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2723.610992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.610992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.610992 (E_RNA) where: Base-Base interactions energy: -1872.531 where: short stacking energy: -763.260 Base-Backbone interact. energy: -2.310 local terms energy: -848.769160 where: bonds (distance) C4'-P energy: -177.414 bonds (distance) P-C4' energy: -159.408 flat angles C4'-P-C4' energy: -178.824 flat angles P-C4'-P energy: -108.064 tors. eta vs tors. theta energy: -225.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2663.898239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.898239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.898239 (E_RNA) where: Base-Base interactions energy: -1807.033 where: short stacking energy: -801.987 Base-Backbone interact. energy: 1.327 local terms energy: -858.192901 where: bonds (distance) C4'-P energy: -147.239 bonds (distance) P-C4' energy: -161.015 flat angles C4'-P-C4' energy: -192.197 flat angles P-C4'-P energy: -126.706 tors. eta vs tors. theta energy: -231.036 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: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2569.502094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.502094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.502094 (E_RNA) where: Base-Base interactions energy: -1773.555 where: short stacking energy: -783.389 Base-Backbone interact. energy: -5.769 local terms energy: -790.178560 where: bonds (distance) C4'-P energy: -146.968 bonds (distance) P-C4' energy: -142.649 flat angles C4'-P-C4' energy: -167.024 flat angles P-C4'-P energy: -93.441 tors. eta vs tors. theta energy: -240.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2180.890191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.890191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.890191 (E_RNA) where: Base-Base interactions energy: -1460.232 where: short stacking energy: -620.030 Base-Backbone interact. energy: 0.327 local terms energy: -720.985420 where: bonds (distance) C4'-P energy: -152.436 bonds (distance) P-C4' energy: -141.492 flat angles C4'-P-C4' energy: -169.952 flat angles P-C4'-P energy: -107.259 tors. eta vs tors. theta energy: -149.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2073.675706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.675706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.675706 (E_RNA) where: Base-Base interactions energy: -1338.038 where: short stacking energy: -565.110 Base-Backbone interact. energy: -7.257 local terms energy: -728.380372 where: bonds (distance) C4'-P energy: -133.724 bonds (distance) P-C4' energy: -159.855 flat angles C4'-P-C4' energy: -166.471 flat angles P-C4'-P energy: -115.148 tors. eta vs tors. theta energy: -153.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1693.240923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.240923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.240923 (E_RNA) where: Base-Base interactions energy: -1048.021 where: short stacking energy: -515.586 Base-Backbone interact. energy: 7.802 local terms energy: -653.022086 where: bonds (distance) C4'-P energy: -149.750 bonds (distance) P-C4' energy: -119.703 flat angles C4'-P-C4' energy: -158.428 flat angles P-C4'-P energy: -106.919 tors. eta vs tors. theta energy: -118.223 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: 8, replica: 5 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1385.810772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.810772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.810772 (E_RNA) where: Base-Base interactions energy: -835.441 where: short stacking energy: -398.786 Base-Backbone interact. energy: -2.730 local terms energy: -547.639498 where: bonds (distance) C4'-P energy: -127.824 bonds (distance) P-C4' energy: -151.843 flat angles C4'-P-C4' energy: -139.784 flat angles P-C4'-P energy: -76.229 tors. eta vs tors. theta energy: -51.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1115.720541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.720541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.720541 (E_RNA) where: Base-Base interactions energy: -627.386 where: short stacking energy: -327.636 Base-Backbone interact. energy: 2.538 local terms energy: -490.872759 where: bonds (distance) C4'-P energy: -124.674 bonds (distance) P-C4' energy: -139.452 flat angles C4'-P-C4' energy: -125.311 flat angles P-C4'-P energy: -65.875 tors. eta vs tors. theta energy: -35.561 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: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -745.389473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.389473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.389473 (E_RNA) where: Base-Base interactions energy: -347.837 where: short stacking energy: -204.376 Base-Backbone interact. energy: 3.576 local terms energy: -401.127753 where: bonds (distance) C4'-P energy: -102.296 bonds (distance) P-C4' energy: -137.333 flat angles C4'-P-C4' energy: -117.268 flat angles P-C4'-P energy: -71.925 tors. eta vs tors. theta energy: 27.695 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: 173 Temperature: 0.900000 Total energy: -2884.110362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.110362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.110362 (E_RNA) where: Base-Base interactions energy: -1958.473 where: short stacking energy: -840.040 Base-Backbone interact. energy: -4.914 local terms energy: -920.722817 where: bonds (distance) C4'-P energy: -176.358 bonds (distance) P-C4' energy: -165.801 flat angles C4'-P-C4' energy: -194.295 flat angles P-C4'-P energy: -125.716 tors. eta vs tors. theta energy: -258.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2739.555717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.555717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.555717 (E_RNA) where: Base-Base interactions energy: -1893.464 where: short stacking energy: -764.085 Base-Backbone interact. energy: -5.555 local terms energy: -840.536863 where: bonds (distance) C4'-P energy: -165.690 bonds (distance) P-C4' energy: -171.019 flat angles C4'-P-C4' energy: -168.338 flat angles P-C4'-P energy: -114.388 tors. eta vs tors. theta energy: -221.102 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: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2684.729681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.729681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.729681 (E_RNA) where: Base-Base interactions energy: -1829.490 where: short stacking energy: -787.978 Base-Backbone interact. energy: -2.725 local terms energy: -852.515474 where: bonds (distance) C4'-P energy: -163.032 bonds (distance) P-C4' energy: -150.802 flat angles C4'-P-C4' energy: -189.999 flat angles P-C4'-P energy: -120.258 tors. eta vs tors. theta energy: -228.424 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: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2533.881563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.881563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.881563 (E_RNA) where: Base-Base interactions energy: -1703.980 where: short stacking energy: -729.498 Base-Backbone interact. energy: -6.087 local terms energy: -823.814648 where: bonds (distance) C4'-P energy: -154.344 bonds (distance) P-C4' energy: -156.154 flat angles C4'-P-C4' energy: -171.374 flat angles P-C4'-P energy: -115.450 tors. eta vs tors. theta energy: -226.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2162.746743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.746743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.746743 (E_RNA) where: Base-Base interactions energy: -1442.438 where: short stacking energy: -630.194 Base-Backbone interact. energy: -2.935 local terms energy: -717.373552 where: bonds (distance) C4'-P energy: -139.453 bonds (distance) P-C4' energy: -147.640 flat angles C4'-P-C4' energy: -161.742 flat angles P-C4'-P energy: -103.439 tors. eta vs tors. theta energy: -165.100 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: 173 Temperature: 1.150000 Total energy: -2070.831060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.831060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.831060 (E_RNA) where: Base-Base interactions energy: -1351.819 where: short stacking energy: -562.253 Base-Backbone interact. energy: 0.440 local terms energy: -719.452609 where: bonds (distance) C4'-P energy: -134.140 bonds (distance) P-C4' energy: -149.357 flat angles C4'-P-C4' energy: -169.960 flat angles P-C4'-P energy: -102.785 tors. eta vs tors. theta energy: -163.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1679.205503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.205503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.205503 (E_RNA) where: Base-Base interactions energy: -1036.640 where: short stacking energy: -496.549 Base-Backbone interact. energy: -1.706 local terms energy: -640.859490 where: bonds (distance) C4'-P energy: -147.169 bonds (distance) P-C4' energy: -146.062 flat angles C4'-P-C4' energy: -146.866 flat angles P-C4'-P energy: -93.537 tors. eta vs tors. theta energy: -107.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1397.531320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.531320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.531320 (E_RNA) where: Base-Base interactions energy: -841.400 where: short stacking energy: -420.465 Base-Backbone interact. energy: -1.736 local terms energy: -554.395510 where: bonds (distance) C4'-P energy: -138.084 bonds (distance) P-C4' energy: -135.403 flat angles C4'-P-C4' energy: -136.922 flat angles P-C4'-P energy: -88.673 tors. eta vs tors. theta energy: -55.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1141.849194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.849194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.849194 (E_RNA) where: Base-Base interactions energy: -684.948 where: short stacking energy: -356.637 Base-Backbone interact. energy: 3.480 local terms energy: -460.380745 where: bonds (distance) C4'-P energy: -109.114 bonds (distance) P-C4' energy: -129.852 flat angles C4'-P-C4' energy: -113.347 flat angles P-C4'-P energy: -61.615 tors. eta vs tors. theta energy: -46.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -837.890463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.890463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.890463 (E_RNA) where: Base-Base interactions energy: -407.074 where: short stacking energy: -243.926 Base-Backbone interact. energy: -0.737 local terms energy: -430.079401 where: bonds (distance) C4'-P energy: -120.231 bonds (distance) P-C4' energy: -143.826 flat angles C4'-P-C4' energy: -120.295 flat angles P-C4'-P energy: -64.626 tors. eta vs tors. theta energy: 18.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2879.055043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.055043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.055043 (E_RNA) where: Base-Base interactions energy: -1969.245 where: short stacking energy: -813.362 Base-Backbone interact. energy: -2.014 local terms energy: -907.796066 where: bonds (distance) C4'-P energy: -169.586 bonds (distance) P-C4' energy: -180.926 flat angles C4'-P-C4' energy: -184.387 flat angles P-C4'-P energy: -124.386 tors. eta vs tors. theta energy: -248.511 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: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2753.199034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.199034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.199034 (E_RNA) where: Base-Base interactions energy: -1916.066 where: short stacking energy: -774.716 Base-Backbone interact. energy: -3.664 local terms energy: -833.468881 where: bonds (distance) C4'-P energy: -170.836 bonds (distance) P-C4' energy: -165.488 flat angles C4'-P-C4' energy: -174.076 flat angles P-C4'-P energy: -112.819 tors. eta vs tors. theta energy: -210.250 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: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2661.999760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.999760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.999760 (E_RNA) where: Base-Base interactions energy: -1826.130 where: short stacking energy: -756.372 Base-Backbone interact. energy: -1.451 local terms energy: -834.418655 where: bonds (distance) C4'-P energy: -152.567 bonds (distance) P-C4' energy: -171.802 flat angles C4'-P-C4' energy: -178.186 flat angles P-C4'-P energy: -99.651 tors. eta vs tors. theta energy: -232.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2554.728631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.728631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.728631 (E_RNA) where: Base-Base interactions energy: -1729.857 where: short stacking energy: -741.160 Base-Backbone interact. energy: -2.610 local terms energy: -822.262453 where: bonds (distance) C4'-P energy: -159.432 bonds (distance) P-C4' energy: -155.594 flat angles C4'-P-C4' energy: -174.713 flat angles P-C4'-P energy: -114.119 tors. eta vs tors. theta energy: -218.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2214.034664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.034664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.034664 (E_RNA) where: Base-Base interactions energy: -1482.611 where: short stacking energy: -633.703 Base-Backbone interact. energy: -6.636 local terms energy: -724.786889 where: bonds (distance) C4'-P energy: -154.059 bonds (distance) P-C4' energy: -139.688 flat angles C4'-P-C4' energy: -167.700 flat angles P-C4'-P energy: -89.983 tors. eta vs tors. theta energy: -173.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2090.863699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.863699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.863699 (E_RNA) where: Base-Base interactions energy: -1404.908 where: short stacking energy: -558.815 Base-Backbone interact. energy: -3.137 local terms energy: -682.818211 where: bonds (distance) C4'-P energy: -147.309 bonds (distance) P-C4' energy: -158.304 flat angles C4'-P-C4' energy: -146.632 flat angles P-C4'-P energy: -96.192 tors. eta vs tors. theta energy: -134.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1623.380578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.380578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.380578 (E_RNA) where: Base-Base interactions energy: -993.682 where: short stacking energy: -480.369 Base-Backbone interact. energy: -0.433 local terms energy: -629.264659 where: bonds (distance) C4'-P energy: -146.911 bonds (distance) P-C4' energy: -160.286 flat angles C4'-P-C4' energy: -138.313 flat angles P-C4'-P energy: -90.413 tors. eta vs tors. theta energy: -93.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1415.150314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.150314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.150314 (E_RNA) where: Base-Base interactions energy: -839.779 where: short stacking energy: -389.726 Base-Backbone interact. energy: -3.155 local terms energy: -572.217026 where: bonds (distance) C4'-P energy: -138.205 bonds (distance) P-C4' energy: -150.813 flat angles C4'-P-C4' energy: -146.302 flat angles P-C4'-P energy: -71.039 tors. eta vs tors. theta energy: -65.857 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: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1088.829156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.829156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.829156 (E_RNA) where: Base-Base interactions energy: -606.244 where: short stacking energy: -294.994 Base-Backbone interact. energy: 3.728 local terms energy: -486.312864 where: bonds (distance) C4'-P energy: -139.253 bonds (distance) P-C4' energy: -123.156 flat angles C4'-P-C4' energy: -119.988 flat angles P-C4'-P energy: -79.017 tors. eta vs tors. theta energy: -24.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -823.852634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.852634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.852634 (E_RNA) where: Base-Base interactions energy: -391.955 where: short stacking energy: -220.467 Base-Backbone interact. energy: 2.776 local terms energy: -434.672999 where: bonds (distance) C4'-P energy: -119.184 bonds (distance) P-C4' energy: -136.883 flat angles C4'-P-C4' energy: -117.320 flat angles P-C4'-P energy: -80.895 tors. eta vs tors. theta energy: 19.609 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: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2896.382058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.382058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.382058 (E_RNA) where: Base-Base interactions energy: -1991.133 where: short stacking energy: -813.953 Base-Backbone interact. energy: -3.758 local terms energy: -901.491034 where: bonds (distance) C4'-P energy: -166.453 bonds (distance) P-C4' energy: -159.721 flat angles C4'-P-C4' energy: -192.109 flat angles P-C4'-P energy: -132.955 tors. eta vs tors. theta energy: -250.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2740.499103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.499103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.499103 (E_RNA) where: Base-Base interactions energy: -1910.560 where: short stacking energy: -799.722 Base-Backbone interact. energy: 1.372 local terms energy: -831.310573 where: bonds (distance) C4'-P energy: -142.754 bonds (distance) P-C4' energy: -162.251 flat angles C4'-P-C4' energy: -183.708 flat angles P-C4'-P energy: -120.971 tors. eta vs tors. theta energy: -221.627 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: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2666.618667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.618667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.618667 (E_RNA) where: Base-Base interactions energy: -1853.454 where: short stacking energy: -745.572 Base-Backbone interact. energy: -2.202 local terms energy: -810.963120 where: bonds (distance) C4'-P energy: -154.554 bonds (distance) P-C4' energy: -164.790 flat angles C4'-P-C4' energy: -180.088 flat angles P-C4'-P energy: -113.228 tors. eta vs tors. theta energy: -198.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2502.297563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.297563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.297563 (E_RNA) where: Base-Base interactions energy: -1715.455 where: short stacking energy: -731.790 Base-Backbone interact. energy: -3.336 local terms energy: -783.506203 where: bonds (distance) C4'-P energy: -133.667 bonds (distance) P-C4' energy: -141.753 flat angles C4'-P-C4' energy: -179.791 flat angles P-C4'-P energy: -119.240 tors. eta vs tors. theta energy: -209.055 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: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2184.609984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.609984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.609984 (E_RNA) where: Base-Base interactions energy: -1441.533 where: short stacking energy: -615.754 Base-Backbone interact. energy: -1.206 local terms energy: -741.871908 where: bonds (distance) C4'-P energy: -144.521 bonds (distance) P-C4' energy: -167.810 flat angles C4'-P-C4' energy: -165.551 flat angles P-C4'-P energy: -107.925 tors. eta vs tors. theta energy: -156.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2030.250724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.250724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.250724 (E_RNA) where: Base-Base interactions energy: -1352.101 where: short stacking energy: -586.333 Base-Backbone interact. energy: -4.566 local terms energy: -673.583406 where: bonds (distance) C4'-P energy: -125.456 bonds (distance) P-C4' energy: -144.103 flat angles C4'-P-C4' energy: -160.450 flat angles P-C4'-P energy: -107.400 tors. eta vs tors. theta energy: -136.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1571.374853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.374853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.374853 (E_RNA) where: Base-Base interactions energy: -957.718 where: short stacking energy: -464.551 Base-Backbone interact. energy: 0.028 local terms energy: -613.684297 where: bonds (distance) C4'-P energy: -135.764 bonds (distance) P-C4' energy: -142.592 flat angles C4'-P-C4' energy: -144.860 flat angles P-C4'-P energy: -86.539 tors. eta vs tors. theta energy: -103.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1440.942644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.942644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.942644 (E_RNA) where: Base-Base interactions energy: -864.659 where: short stacking energy: -390.541 Base-Backbone interact. energy: -1.696 local terms energy: -574.587185 where: bonds (distance) C4'-P energy: -121.263 bonds (distance) P-C4' energy: -147.150 flat angles C4'-P-C4' energy: -135.097 flat angles P-C4'-P energy: -88.553 tors. eta vs tors. theta energy: -82.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1137.435284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.435284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.435284 (E_RNA) where: Base-Base interactions energy: -643.386 where: short stacking energy: -318.113 Base-Backbone interact. energy: 3.036 local terms energy: -497.086049 where: bonds (distance) C4'-P energy: -116.506 bonds (distance) P-C4' energy: -144.196 flat angles C4'-P-C4' energy: -127.209 flat angles P-C4'-P energy: -75.098 tors. eta vs tors. theta energy: -34.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -847.350695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.350695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.350695 (E_RNA) where: Base-Base interactions energy: -384.367 where: short stacking energy: -201.511 Base-Backbone interact. energy: 0.075 local terms energy: -463.058834 where: bonds (distance) C4'-P energy: -128.616 bonds (distance) P-C4' energy: -132.614 flat angles C4'-P-C4' energy: -131.698 flat angles P-C4'-P energy: -86.584 tors. eta vs tors. theta energy: 16.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2914.550570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.550570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.550570 (E_RNA) where: Base-Base interactions energy: -2001.891 where: short stacking energy: -816.570 Base-Backbone interact. energy: -3.372 local terms energy: -909.287840 where: bonds (distance) C4'-P energy: -182.998 bonds (distance) P-C4' energy: -177.716 flat angles C4'-P-C4' energy: -189.507 flat angles P-C4'-P energy: -111.198 tors. eta vs tors. theta energy: -247.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2728.845495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.845495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.845495 (E_RNA) where: Base-Base interactions energy: -1879.385 where: short stacking energy: -791.280 Base-Backbone interact. energy: -2.853 local terms energy: -846.608215 where: bonds (distance) C4'-P energy: -162.574 bonds (distance) P-C4' energy: -160.339 flat angles C4'-P-C4' energy: -177.282 flat angles P-C4'-P energy: -122.511 tors. eta vs tors. theta energy: -223.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2633.723702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.723702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.723702 (E_RNA) where: Base-Base interactions energy: -1809.328 where: short stacking energy: -783.518 Base-Backbone interact. energy: -4.615 local terms energy: -819.781229 where: bonds (distance) C4'-P energy: -159.791 bonds (distance) P-C4' energy: -161.875 flat angles C4'-P-C4' energy: -172.377 flat angles P-C4'-P energy: -116.552 tors. eta vs tors. theta energy: -209.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2571.768369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.768369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.768369 (E_RNA) where: Base-Base interactions energy: -1768.032 where: short stacking energy: -766.752 Base-Backbone interact. energy: -1.976 local terms energy: -801.760445 where: bonds (distance) C4'-P energy: -140.520 bonds (distance) P-C4' energy: -158.932 flat angles C4'-P-C4' energy: -161.253 flat angles P-C4'-P energy: -109.565 tors. eta vs tors. theta energy: -231.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2122.669922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.669922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.669922 (E_RNA) where: Base-Base interactions energy: -1418.108 where: short stacking energy: -611.832 Base-Backbone interact. energy: -3.129 local terms energy: -701.432745 where: bonds (distance) C4'-P energy: -153.287 bonds (distance) P-C4' energy: -145.467 flat angles C4'-P-C4' energy: -152.772 flat angles P-C4'-P energy: -80.159 tors. eta vs tors. theta energy: -169.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2108.009641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.009641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.009641 (E_RNA) where: Base-Base interactions energy: -1404.874 where: short stacking energy: -578.396 Base-Backbone interact. energy: -2.040 local terms energy: -701.094872 where: bonds (distance) C4'-P energy: -156.726 bonds (distance) P-C4' energy: -154.922 flat angles C4'-P-C4' energy: -162.486 flat angles P-C4'-P energy: -92.047 tors. eta vs tors. theta energy: -134.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1620.723504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.723504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.723504 (E_RNA) where: Base-Base interactions energy: -975.359 where: short stacking energy: -431.602 Base-Backbone interact. energy: -2.409 local terms energy: -642.955595 where: bonds (distance) C4'-P energy: -140.886 bonds (distance) P-C4' energy: -150.181 flat angles C4'-P-C4' energy: -150.590 flat angles P-C4'-P energy: -110.544 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: 8, replica: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1344.021261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.021261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.021261 (E_RNA) where: Base-Base interactions energy: -808.022 where: short stacking energy: -395.515 Base-Backbone interact. energy: -0.297 local terms energy: -535.702008 where: bonds (distance) C4'-P energy: -113.004 bonds (distance) P-C4' energy: -141.835 flat angles C4'-P-C4' energy: -131.316 flat angles P-C4'-P energy: -92.489 tors. eta vs tors. theta energy: -57.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1073.284193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.284193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.284193 (E_RNA) where: Base-Base interactions energy: -556.668 where: short stacking energy: -283.631 Base-Backbone interact. energy: -0.450 local terms energy: -516.166017 where: bonds (distance) C4'-P energy: -143.128 bonds (distance) P-C4' energy: -145.015 flat angles C4'-P-C4' energy: -117.649 flat angles P-C4'-P energy: -86.271 tors. eta vs tors. theta energy: -24.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -879.307389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.307389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.307389 (E_RNA) where: Base-Base interactions energy: -453.325 where: short stacking energy: -253.667 Base-Backbone interact. energy: 7.171 local terms energy: -433.152600 where: bonds (distance) C4'-P energy: -122.341 bonds (distance) P-C4' energy: -132.633 flat angles C4'-P-C4' energy: -114.540 flat angles P-C4'-P energy: -59.004 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2850.066702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.066702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.066702 (E_RNA) where: Base-Base interactions energy: -1961.864 where: short stacking energy: -808.542 Base-Backbone interact. energy: -2.664 local terms energy: -885.538157 where: bonds (distance) C4'-P energy: -156.825 bonds (distance) P-C4' energy: -169.342 flat angles C4'-P-C4' energy: -181.202 flat angles P-C4'-P energy: -128.328 tors. eta vs tors. theta energy: -249.841 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: 2, replica: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2692.006864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.006864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.006864 (E_RNA) where: Base-Base interactions energy: -1871.727 where: short stacking energy: -797.146 Base-Backbone interact. energy: -1.530 local terms energy: -818.750000 where: bonds (distance) C4'-P energy: -161.088 bonds (distance) P-C4' energy: -143.571 flat angles C4'-P-C4' energy: -170.510 flat angles P-C4'-P energy: -118.637 tors. eta vs tors. theta energy: -224.944 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: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2617.160982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.160982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.160982 (E_RNA) where: Base-Base interactions energy: -1793.745 where: short stacking energy: -724.654 Base-Backbone interact. energy: 0.143 local terms energy: -823.558193 where: bonds (distance) C4'-P energy: -162.875 bonds (distance) P-C4' energy: -168.287 flat angles C4'-P-C4' energy: -173.887 flat angles P-C4'-P energy: -101.363 tors. eta vs tors. theta energy: -217.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2551.384925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.384925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.384925 (E_RNA) where: Base-Base interactions energy: -1743.782 where: short stacking energy: -757.693 Base-Backbone interact. energy: -2.365 local terms energy: -805.237909 where: bonds (distance) C4'-P energy: -117.456 bonds (distance) P-C4' energy: -164.557 flat angles C4'-P-C4' energy: -168.369 flat angles P-C4'-P energy: -125.759 tors. eta vs tors. theta energy: -229.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2157.671823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.671823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.671823 (E_RNA) where: Base-Base interactions energy: -1424.333 where: short stacking energy: -599.787 Base-Backbone interact. energy: 0.904 local terms energy: -734.242951 where: bonds (distance) C4'-P energy: -150.025 bonds (distance) P-C4' energy: -164.029 flat angles C4'-P-C4' energy: -163.388 flat angles P-C4'-P energy: -83.298 tors. eta vs tors. theta energy: -173.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2132.577989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.577989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.577989 (E_RNA) where: Base-Base interactions energy: -1423.871 where: short stacking energy: -591.418 Base-Backbone interact. energy: 4.282 local terms energy: -712.989355 where: bonds (distance) C4'-P energy: -138.545 bonds (distance) P-C4' energy: -149.016 flat angles C4'-P-C4' energy: -151.157 flat angles P-C4'-P energy: -100.654 tors. eta vs tors. theta energy: -173.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1624.013255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.013255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.013255 (E_RNA) where: Base-Base interactions energy: -1011.782 where: short stacking energy: -453.280 Base-Backbone interact. energy: 1.543 local terms energy: -613.774815 where: bonds (distance) C4'-P energy: -138.164 bonds (distance) P-C4' energy: -147.177 flat angles C4'-P-C4' energy: -146.195 flat angles P-C4'-P energy: -77.526 tors. eta vs tors. theta energy: -104.713 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: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1388.838846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.838846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.838846 (E_RNA) where: Base-Base interactions energy: -817.086 where: short stacking energy: -402.112 Base-Backbone interact. energy: -0.869 local terms energy: -570.883513 where: bonds (distance) C4'-P energy: -134.135 bonds (distance) P-C4' energy: -159.160 flat angles C4'-P-C4' energy: -129.124 flat angles P-C4'-P energy: -77.424 tors. eta vs tors. theta energy: -71.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1111.482545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.482545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.482545 (E_RNA) where: Base-Base interactions energy: -625.943 where: short stacking energy: -314.603 Base-Backbone interact. energy: 2.322 local terms energy: -487.861564 where: bonds (distance) C4'-P energy: -120.320 bonds (distance) P-C4' energy: -122.396 flat angles C4'-P-C4' energy: -140.091 flat angles P-C4'-P energy: -69.155 tors. eta vs tors. theta energy: -35.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -896.679423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.679423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.679423 (E_RNA) where: Base-Base interactions energy: -457.089 where: short stacking energy: -240.601 Base-Backbone interact. energy: 3.813 local terms energy: -443.402916 where: bonds (distance) C4'-P energy: -131.324 bonds (distance) P-C4' energy: -147.992 flat angles C4'-P-C4' energy: -95.282 flat angles P-C4'-P energy: -72.767 tors. eta vs tors. theta energy: 3.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2873.413243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.413243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.413243 (E_RNA) where: Base-Base interactions energy: -1961.724 where: short stacking energy: -817.441 Base-Backbone interact. energy: -7.210 local terms energy: -904.479339 where: bonds (distance) C4'-P energy: -160.604 bonds (distance) P-C4' energy: -163.468 flat angles C4'-P-C4' energy: -199.287 flat angles P-C4'-P energy: -126.261 tors. eta vs tors. theta energy: -254.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2718.309835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.309835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.309835 (E_RNA) where: Base-Base interactions energy: -1824.262 where: short stacking energy: -788.975 Base-Backbone interact. energy: -2.810 local terms energy: -891.237977 where: bonds (distance) C4'-P energy: -171.329 bonds (distance) P-C4' energy: -177.002 flat angles C4'-P-C4' energy: -185.257 flat angles P-C4'-P energy: -121.321 tors. eta vs tors. theta energy: -236.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2615.775265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.775265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.775265 (E_RNA) where: Base-Base interactions energy: -1787.356 where: short stacking energy: -739.419 Base-Backbone interact. energy: -4.326 local terms energy: -824.093880 where: bonds (distance) C4'-P energy: -168.355 bonds (distance) P-C4' energy: -153.866 flat angles C4'-P-C4' energy: -179.196 flat angles P-C4'-P energy: -114.204 tors. eta vs tors. theta energy: -208.473 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: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2555.626688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.626688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.626688 (E_RNA) where: Base-Base interactions energy: -1702.898 where: short stacking energy: -730.812 Base-Backbone interact. energy: 1.094 local terms energy: -853.823592 where: bonds (distance) C4'-P energy: -170.863 bonds (distance) P-C4' energy: -163.951 flat angles C4'-P-C4' energy: -173.505 flat angles P-C4'-P energy: -110.840 tors. eta vs tors. theta energy: -234.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2127.225966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.225966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.225966 (E_RNA) where: Base-Base interactions energy: -1406.743 where: short stacking energy: -588.684 Base-Backbone interact. energy: -3.881 local terms energy: -716.602345 where: bonds (distance) C4'-P energy: -141.986 bonds (distance) P-C4' energy: -148.569 flat angles C4'-P-C4' energy: -160.188 flat angles P-C4'-P energy: -104.416 tors. eta vs tors. theta energy: -161.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2045.483341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.483341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.483341 (E_RNA) where: Base-Base interactions energy: -1347.070 where: short stacking energy: -566.830 Base-Backbone interact. energy: 3.007 local terms energy: -701.420674 where: bonds (distance) C4'-P energy: -143.641 bonds (distance) P-C4' energy: -144.648 flat angles C4'-P-C4' energy: -142.821 flat angles P-C4'-P energy: -113.873 tors. eta vs tors. theta energy: -156.438 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: 4 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1626.608637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.608637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.608637 (E_RNA) where: Base-Base interactions energy: -1063.305 where: short stacking energy: -469.192 Base-Backbone interact. energy: 0.543 local terms energy: -563.846318 where: bonds (distance) C4'-P energy: -111.213 bonds (distance) P-C4' energy: -124.425 flat angles C4'-P-C4' energy: -146.531 flat angles P-C4'-P energy: -88.737 tors. eta vs tors. theta energy: -92.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1390.707683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.707683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.707683 (E_RNA) where: Base-Base interactions energy: -814.609 where: short stacking energy: -405.900 Base-Backbone interact. energy: -1.535 local terms energy: -574.563571 where: bonds (distance) C4'-P energy: -142.629 bonds (distance) P-C4' energy: -166.609 flat angles C4'-P-C4' energy: -120.864 flat angles P-C4'-P energy: -70.352 tors. eta vs tors. theta energy: -74.109 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: 2 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1089.350677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.350677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.350677 (E_RNA) where: Base-Base interactions energy: -582.535 where: short stacking energy: -329.264 Base-Backbone interact. energy: -1.403 local terms energy: -505.412070 where: bonds (distance) C4'-P energy: -149.679 bonds (distance) P-C4' energy: -127.733 flat angles C4'-P-C4' energy: -111.342 flat angles P-C4'-P energy: -80.947 tors. eta vs tors. theta energy: -35.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -933.892316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.892316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.892316 (E_RNA) where: Base-Base interactions energy: -456.329 where: short stacking energy: -248.129 Base-Backbone interact. energy: -3.454 local terms energy: -474.109209 where: bonds (distance) C4'-P energy: -138.280 bonds (distance) P-C4' energy: -138.996 flat angles C4'-P-C4' energy: -120.998 flat angles P-C4'-P energy: -85.497 tors. eta vs tors. theta energy: 9.662 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: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2898.662962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.662962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.662962 (E_RNA) where: Base-Base interactions energy: -1995.321 where: short stacking energy: -827.878 Base-Backbone interact. energy: -2.846 local terms energy: -900.495492 where: bonds (distance) C4'-P energy: -157.883 bonds (distance) P-C4' energy: -169.703 flat angles C4'-P-C4' energy: -187.084 flat angles P-C4'-P energy: -130.729 tors. eta vs tors. theta energy: -255.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2718.975617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.975617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.975617 (E_RNA) where: Base-Base interactions energy: -1893.250 where: short stacking energy: -811.646 Base-Backbone interact. energy: -4.737 local terms energy: -820.988596 where: bonds (distance) C4'-P energy: -134.916 bonds (distance) P-C4' energy: -148.072 flat angles C4'-P-C4' energy: -183.864 flat angles P-C4'-P energy: -119.998 tors. eta vs tors. theta energy: -234.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2625.186077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.186077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.186077 (E_RNA) where: Base-Base interactions energy: -1767.861 where: short stacking energy: -745.934 Base-Backbone interact. energy: -1.604 local terms energy: -855.720567 where: bonds (distance) C4'-P energy: -167.815 bonds (distance) P-C4' energy: -163.375 flat angles C4'-P-C4' energy: -174.271 flat angles P-C4'-P energy: -131.742 tors. eta vs tors. theta energy: -218.518 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: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2539.827922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.827922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.827922 (E_RNA) where: Base-Base interactions energy: -1707.832 where: short stacking energy: -735.697 Base-Backbone interact. energy: -2.000 local terms energy: -829.995492 where: bonds (distance) C4'-P energy: -149.742 bonds (distance) P-C4' energy: -162.349 flat angles C4'-P-C4' energy: -189.602 flat angles P-C4'-P energy: -98.559 tors. eta vs tors. theta energy: -229.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2148.538070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.538070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.538070 (E_RNA) where: Base-Base interactions energy: -1410.059 where: short stacking energy: -623.921 Base-Backbone interact. energy: -4.327 local terms energy: -734.152560 where: bonds (distance) C4'-P energy: -160.750 bonds (distance) P-C4' energy: -142.056 flat angles C4'-P-C4' energy: -169.738 flat angles P-C4'-P energy: -99.527 tors. eta vs tors. theta energy: -162.081 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: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2048.273367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.273367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.273367 (E_RNA) where: Base-Base interactions energy: -1371.118 where: short stacking energy: -598.302 Base-Backbone interact. energy: -5.738 local terms energy: -671.417030 where: bonds (distance) C4'-P energy: -119.439 bonds (distance) P-C4' energy: -146.952 flat angles C4'-P-C4' energy: -154.021 flat angles P-C4'-P energy: -88.634 tors. eta vs tors. theta energy: -162.371 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: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1656.276846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.276846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.276846 (E_RNA) where: Base-Base interactions energy: -1043.587 where: short stacking energy: -484.329 Base-Backbone interact. energy: 2.114 local terms energy: -614.803940 where: bonds (distance) C4'-P energy: -132.606 bonds (distance) P-C4' energy: -136.585 flat angles C4'-P-C4' energy: -144.460 flat angles P-C4'-P energy: -86.922 tors. eta vs tors. theta energy: -114.230 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: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1440.806619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.806619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.806619 (E_RNA) where: Base-Base interactions energy: -827.084 where: short stacking energy: -413.067 Base-Backbone interact. energy: 1.292 local terms energy: -615.014499 where: bonds (distance) C4'-P energy: -141.424 bonds (distance) P-C4' energy: -168.615 flat angles C4'-P-C4' energy: -149.644 flat angles P-C4'-P energy: -89.150 tors. eta vs tors. theta energy: -66.181 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: 2 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1068.941936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.941936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.941936 (E_RNA) where: Base-Base interactions energy: -579.335 where: short stacking energy: -300.350 Base-Backbone interact. energy: 3.348 local terms energy: -492.954748 where: bonds (distance) C4'-P energy: -146.662 bonds (distance) P-C4' energy: -141.383 flat angles C4'-P-C4' energy: -105.510 flat angles P-C4'-P energy: -80.108 tors. eta vs tors. theta energy: -19.292 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: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -861.838559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.838559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.838559 (E_RNA) where: Base-Base interactions energy: -412.084 where: short stacking energy: -220.211 Base-Backbone interact. energy: 1.173 local terms energy: -450.927465 where: bonds (distance) C4'-P energy: -136.396 bonds (distance) P-C4' energy: -133.855 flat angles C4'-P-C4' energy: -134.816 flat angles P-C4'-P energy: -57.892 tors. eta vs tors. theta energy: 12.032 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: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2884.776497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.776497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.776497 (E_RNA) where: Base-Base interactions energy: -1994.986 where: short stacking energy: -845.988 Base-Backbone interact. energy: 0.546 local terms energy: -890.337301 where: bonds (distance) C4'-P energy: -158.645 bonds (distance) P-C4' energy: -159.484 flat angles C4'-P-C4' energy: -194.227 flat angles P-C4'-P energy: -124.830 tors. eta vs tors. theta energy: -253.152 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: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2713.532071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.532071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.532071 (E_RNA) where: Base-Base interactions energy: -1866.863 where: short stacking energy: -786.543 Base-Backbone interact. energy: -1.619 local terms energy: -845.050173 where: bonds (distance) C4'-P energy: -162.995 bonds (distance) P-C4' energy: -157.426 flat angles C4'-P-C4' energy: -183.616 flat angles P-C4'-P energy: -118.444 tors. eta vs tors. theta energy: -222.569 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: 180 Temperature: 1.000000 Total energy: -2655.499573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.499573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.499573 (E_RNA) where: Base-Base interactions energy: -1783.571 where: short stacking energy: -767.361 Base-Backbone interact. energy: -6.279 local terms energy: -865.649595 where: bonds (distance) C4'-P energy: -160.272 bonds (distance) P-C4' energy: -169.495 flat angles C4'-P-C4' energy: -192.881 flat angles P-C4'-P energy: -121.018 tors. eta vs tors. theta energy: -221.983 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: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2559.228604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.228604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.228604 (E_RNA) where: Base-Base interactions energy: -1791.006 where: short stacking energy: -768.493 Base-Backbone interact. energy: -1.222 local terms energy: -767.000618 where: bonds (distance) C4'-P energy: -151.826 bonds (distance) P-C4' energy: -135.731 flat angles C4'-P-C4' energy: -166.909 flat angles P-C4'-P energy: -100.095 tors. eta vs tors. theta energy: -212.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2251.471602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.471602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.471602 (E_RNA) where: Base-Base interactions energy: -1490.743 where: short stacking energy: -631.057 Base-Backbone interact. energy: -3.701 local terms energy: -757.027889 where: bonds (distance) C4'-P energy: -163.336 bonds (distance) P-C4' energy: -136.703 flat angles C4'-P-C4' energy: -172.336 flat angles P-C4'-P energy: -107.415 tors. eta vs tors. theta energy: -177.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2018.444386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.444386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.444386 (E_RNA) where: Base-Base interactions energy: -1364.330 where: short stacking energy: -557.845 Base-Backbone interact. energy: 3.093 local terms energy: -657.207395 where: bonds (distance) C4'-P energy: -145.659 bonds (distance) P-C4' energy: -139.602 flat angles C4'-P-C4' energy: -135.358 flat angles P-C4'-P energy: -87.587 tors. eta vs tors. theta energy: -149.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1634.352023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.352023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.352023 (E_RNA) where: Base-Base interactions energy: -1006.131 where: short stacking energy: -468.332 Base-Backbone interact. energy: 8.703 local terms energy: -636.924110 where: bonds (distance) C4'-P energy: -142.514 bonds (distance) P-C4' energy: -150.069 flat angles C4'-P-C4' energy: -142.069 flat angles P-C4'-P energy: -83.478 tors. eta vs tors. theta energy: -118.794 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: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1413.224087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.224087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.224087 (E_RNA) where: Base-Base interactions energy: -836.723 where: short stacking energy: -416.866 Base-Backbone interact. energy: -1.477 local terms energy: -575.024500 where: bonds (distance) C4'-P energy: -132.808 bonds (distance) P-C4' energy: -137.458 flat angles C4'-P-C4' energy: -157.462 flat angles P-C4'-P energy: -77.423 tors. eta vs tors. theta energy: -69.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1217.937265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.937265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.937265 (E_RNA) where: Base-Base interactions energy: -706.776 where: short stacking energy: -346.844 Base-Backbone interact. energy: 3.002 local terms energy: -514.163814 where: bonds (distance) C4'-P energy: -125.812 bonds (distance) P-C4' energy: -138.508 flat angles C4'-P-C4' energy: -136.022 flat angles P-C4'-P energy: -90.764 tors. eta vs tors. theta energy: -23.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -853.852935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.852935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.852935 (E_RNA) where: Base-Base interactions energy: -425.548 where: short stacking energy: -241.780 Base-Backbone interact. energy: 2.369 local terms energy: -430.673695 where: bonds (distance) C4'-P energy: -132.712 bonds (distance) P-C4' energy: -131.820 flat angles C4'-P-C4' energy: -121.020 flat angles P-C4'-P energy: -41.115 tors. eta vs tors. theta energy: -4.006 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: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2863.959993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.959993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.959993 (E_RNA) where: Base-Base interactions energy: -1968.037 where: short stacking energy: -859.127 Base-Backbone interact. energy: -6.026 local terms energy: -889.897074 where: bonds (distance) C4'-P energy: -152.353 bonds (distance) P-C4' energy: -166.376 flat angles C4'-P-C4' energy: -192.892 flat angles P-C4'-P energy: -120.930 tors. eta vs tors. theta energy: -257.346 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: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2741.173176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.173176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.173176 (E_RNA) where: Base-Base interactions energy: -1867.981 where: short stacking energy: -824.010 Base-Backbone interact. energy: -1.231 local terms energy: -871.961005 where: bonds (distance) C4'-P energy: -166.298 bonds (distance) P-C4' energy: -161.043 flat angles C4'-P-C4' energy: -186.125 flat angles P-C4'-P energy: -122.201 tors. eta vs tors. theta energy: -236.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2669.830357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.830357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.830357 (E_RNA) where: Base-Base interactions energy: -1834.698 where: short stacking energy: -777.217 Base-Backbone interact. energy: -2.906 local terms energy: -832.227184 where: bonds (distance) C4'-P energy: -145.318 bonds (distance) P-C4' energy: -159.350 flat angles C4'-P-C4' energy: -183.207 flat angles P-C4'-P energy: -108.839 tors. eta vs tors. theta energy: -235.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2556.906988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.906988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.906988 (E_RNA) where: Base-Base interactions energy: -1742.001 where: short stacking energy: -731.416 Base-Backbone interact. energy: -3.821 local terms energy: -811.085802 where: bonds (distance) C4'-P energy: -144.430 bonds (distance) P-C4' energy: -137.702 flat angles C4'-P-C4' energy: -188.182 flat angles P-C4'-P energy: -114.033 tors. eta vs tors. theta energy: -226.739 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: 5, replica: 7 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2207.187262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.187262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.187262 (E_RNA) where: Base-Base interactions energy: -1485.109 where: short stacking energy: -635.138 Base-Backbone interact. energy: 1.104 local terms energy: -723.182010 where: bonds (distance) C4'-P energy: -161.791 bonds (distance) P-C4' energy: -142.112 flat angles C4'-P-C4' energy: -159.169 flat angles P-C4'-P energy: -101.713 tors. eta vs tors. theta energy: -158.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2034.755174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.755174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.755174 (E_RNA) where: Base-Base interactions energy: -1372.462 where: short stacking energy: -575.358 Base-Backbone interact. energy: -2.124 local terms energy: -660.168752 where: bonds (distance) C4'-P energy: -129.316 bonds (distance) P-C4' energy: -134.832 flat angles C4'-P-C4' energy: -149.495 flat angles P-C4'-P energy: -99.601 tors. eta vs tors. theta energy: -146.925 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: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1591.303288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.303288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.303288 (E_RNA) where: Base-Base interactions energy: -975.127 where: short stacking energy: -433.677 Base-Backbone interact. energy: -2.152 local terms energy: -614.024272 where: bonds (distance) C4'-P energy: -141.392 bonds (distance) P-C4' energy: -143.056 flat angles C4'-P-C4' energy: -153.688 flat angles P-C4'-P energy: -85.544 tors. eta vs tors. theta energy: -90.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1419.738695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.738695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.738695 (E_RNA) where: Base-Base interactions energy: -846.488 where: short stacking energy: -424.614 Base-Backbone interact. energy: -1.772 local terms energy: -571.478702 where: bonds (distance) C4'-P energy: -137.275 bonds (distance) P-C4' energy: -136.337 flat angles C4'-P-C4' energy: -138.467 flat angles P-C4'-P energy: -85.805 tors. eta vs tors. theta energy: -73.595 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: 9, replica: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1181.368719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.368719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.368719 (E_RNA) where: Base-Base interactions energy: -651.361 where: short stacking energy: -326.096 Base-Backbone interact. energy: 0.786 local terms energy: -530.793875 where: bonds (distance) C4'-P energy: -131.003 bonds (distance) P-C4' energy: -158.599 flat angles C4'-P-C4' energy: -120.843 flat angles P-C4'-P energy: -89.492 tors. eta vs tors. theta energy: -30.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -883.222330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.222330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.222330 (E_RNA) where: Base-Base interactions energy: -447.431 where: short stacking energy: -253.770 Base-Backbone interact. energy: -0.182 local terms energy: -435.609174 where: bonds (distance) C4'-P energy: -136.974 bonds (distance) P-C4' energy: -117.625 flat angles C4'-P-C4' energy: -131.475 flat angles P-C4'-P energy: -56.751 tors. eta vs tors. theta energy: 7.216 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: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2905.824658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.824658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.824658 (E_RNA) where: Base-Base interactions energy: -2012.394 where: short stacking energy: -856.518 Base-Backbone interact. energy: -5.291 local terms energy: -888.139766 where: bonds (distance) C4'-P energy: -146.725 bonds (distance) P-C4' energy: -170.522 flat angles C4'-P-C4' energy: -188.143 flat angles P-C4'-P energy: -130.076 tors. eta vs tors. theta energy: -252.675 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: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2761.989798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.989798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.989798 (E_RNA) where: Base-Base interactions energy: -1872.052 where: short stacking energy: -831.563 Base-Backbone interact. energy: -4.584 local terms energy: -885.354139 where: bonds (distance) C4'-P energy: -160.564 bonds (distance) P-C4' energy: -165.573 flat angles C4'-P-C4' energy: -196.068 flat angles P-C4'-P energy: -114.631 tors. eta vs tors. theta energy: -248.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2651.663353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.663353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.663353 (E_RNA) where: Base-Base interactions energy: -1808.987 where: short stacking energy: -738.233 Base-Backbone interact. energy: -0.560 local terms energy: -842.116458 where: bonds (distance) C4'-P energy: -162.118 bonds (distance) P-C4' energy: -154.752 flat angles C4'-P-C4' energy: -184.619 flat angles P-C4'-P energy: -124.021 tors. eta vs tors. theta energy: -216.605 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: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2526.924389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.924389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.924389 (E_RNA) where: Base-Base interactions energy: -1697.747 where: short stacking energy: -721.840 Base-Backbone interact. energy: -0.605 local terms energy: -828.572280 where: bonds (distance) C4'-P energy: -157.494 bonds (distance) P-C4' energy: -162.971 flat angles C4'-P-C4' energy: -169.472 flat angles P-C4'-P energy: -127.024 tors. eta vs tors. theta energy: -211.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2228.911897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.911897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.911897 (E_RNA) where: Base-Base interactions energy: -1487.997 where: short stacking energy: -607.644 Base-Backbone interact. energy: -1.991 local terms energy: -738.923885 where: bonds (distance) C4'-P energy: -158.649 bonds (distance) P-C4' energy: -150.882 flat angles C4'-P-C4' energy: -149.974 flat angles P-C4'-P energy: -98.850 tors. eta vs tors. theta energy: -180.568 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: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2126.484321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.484321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.484321 (E_RNA) where: Base-Base interactions energy: -1459.051 where: short stacking energy: -617.120 Base-Backbone interact. energy: 4.022 local terms energy: -671.455181 where: bonds (distance) C4'-P energy: -129.896 bonds (distance) P-C4' energy: -146.551 flat angles C4'-P-C4' energy: -150.263 flat angles P-C4'-P energy: -91.799 tors. eta vs tors. theta energy: -152.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1559.717773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.717773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.717773 (E_RNA) where: Base-Base interactions energy: -951.634 where: short stacking energy: -455.137 Base-Backbone interact. energy: -2.252 local terms energy: -605.831536 where: bonds (distance) C4'-P energy: -139.195 bonds (distance) P-C4' energy: -147.176 flat angles C4'-P-C4' energy: -126.881 flat angles P-C4'-P energy: -105.037 tors. eta vs tors. theta energy: -87.543 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: 5 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1331.422958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.422958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.422958 (E_RNA) where: Base-Base interactions energy: -802.579 where: short stacking energy: -399.517 Base-Backbone interact. energy: 5.499 local terms energy: -534.343068 where: bonds (distance) C4'-P energy: -123.572 bonds (distance) P-C4' energy: -141.489 flat angles C4'-P-C4' energy: -132.672 flat angles P-C4'-P energy: -86.068 tors. eta vs tors. theta energy: -50.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1178.821076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.821076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.821076 (E_RNA) where: Base-Base interactions energy: -649.529 where: short stacking energy: -299.796 Base-Backbone interact. energy: 1.560 local terms energy: -530.852250 where: bonds (distance) C4'-P energy: -152.881 bonds (distance) P-C4' energy: -162.067 flat angles C4'-P-C4' energy: -126.452 flat angles P-C4'-P energy: -75.419 tors. eta vs tors. theta energy: -14.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -841.848499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.848499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.848499 (E_RNA) where: Base-Base interactions energy: -392.960 where: short stacking energy: -211.080 Base-Backbone interact. energy: -2.611 local terms energy: -446.277480 where: bonds (distance) C4'-P energy: -129.099 bonds (distance) P-C4' energy: -147.822 flat angles C4'-P-C4' energy: -95.162 flat angles P-C4'-P energy: -91.374 tors. eta vs tors. theta energy: 17.180 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: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2909.955331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.955331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.955331 (E_RNA) where: Base-Base interactions energy: -1987.514 where: short stacking energy: -857.024 Base-Backbone interact. energy: -3.822 local terms energy: -918.618941 where: bonds (distance) C4'-P energy: -170.405 bonds (distance) P-C4' energy: -171.633 flat angles C4'-P-C4' energy: -199.865 flat angles P-C4'-P energy: -117.642 tors. eta vs tors. theta energy: -259.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2734.074629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.074629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.074629 (E_RNA) where: Base-Base interactions energy: -1815.790 where: short stacking energy: -809.161 Base-Backbone interact. energy: 1.931 local terms energy: -920.215617 where: bonds (distance) C4'-P energy: -170.022 bonds (distance) P-C4' energy: -175.096 flat angles C4'-P-C4' energy: -196.702 flat angles P-C4'-P energy: -128.561 tors. eta vs tors. theta energy: -249.835 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: 3, replica: 9 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2610.587370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.587370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.587370 (E_RNA) where: Base-Base interactions energy: -1773.107 where: short stacking energy: -744.394 Base-Backbone interact. energy: -2.903 local terms energy: -834.577020 where: bonds (distance) C4'-P energy: -160.484 bonds (distance) P-C4' energy: -170.387 flat angles C4'-P-C4' energy: -173.335 flat angles P-C4'-P energy: -110.217 tors. eta vs tors. theta energy: -220.154 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: 183 Temperature: 1.050000 Total energy: -2531.461995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.461995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.461995 (E_RNA) where: Base-Base interactions energy: -1739.531 where: short stacking energy: -756.027 Base-Backbone interact. energy: -2.124 local terms energy: -789.807219 where: bonds (distance) C4'-P energy: -133.227 bonds (distance) P-C4' energy: -158.930 flat angles C4'-P-C4' energy: -170.439 flat angles P-C4'-P energy: -114.981 tors. eta vs tors. theta energy: -212.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2233.652704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.652704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.652704 (E_RNA) where: Base-Base interactions energy: -1503.706 where: short stacking energy: -636.514 Base-Backbone interact. energy: -2.552 local terms energy: -727.394719 where: bonds (distance) C4'-P energy: -144.111 bonds (distance) P-C4' energy: -154.820 flat angles C4'-P-C4' energy: -158.116 flat angles P-C4'-P energy: -95.584 tors. eta vs tors. theta energy: -174.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2080.455390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.455390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.455390 (E_RNA) where: Base-Base interactions energy: -1419.151 where: short stacking energy: -602.038 Base-Backbone interact. energy: -1.845 local terms energy: -659.459711 where: bonds (distance) C4'-P energy: -138.264 bonds (distance) P-C4' energy: -126.321 flat angles C4'-P-C4' energy: -138.019 flat angles P-C4'-P energy: -98.388 tors. eta vs tors. theta energy: -158.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1549.004969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.004969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.004969 (E_RNA) where: Base-Base interactions energy: -947.362 where: short stacking energy: -431.983 Base-Backbone interact. energy: -0.541 local terms energy: -601.102234 where: bonds (distance) C4'-P energy: -126.293 bonds (distance) P-C4' energy: -146.600 flat angles C4'-P-C4' energy: -148.740 flat angles P-C4'-P energy: -81.485 tors. eta vs tors. theta energy: -97.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1314.788729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.788729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.788729 (E_RNA) where: Base-Base interactions energy: -756.259 where: short stacking energy: -358.454 Base-Backbone interact. energy: -1.759 local terms energy: -556.770786 where: bonds (distance) C4'-P energy: -135.082 bonds (distance) P-C4' energy: -153.610 flat angles C4'-P-C4' energy: -135.388 flat angles P-C4'-P energy: -86.653 tors. eta vs tors. theta energy: -46.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1164.440401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.440401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.440401 (E_RNA) where: Base-Base interactions energy: -682.699 where: short stacking energy: -320.189 Base-Backbone interact. energy: -0.728 local terms energy: -481.013547 where: bonds (distance) C4'-P energy: -132.821 bonds (distance) P-C4' energy: -143.739 flat angles C4'-P-C4' energy: -113.354 flat angles P-C4'-P energy: -66.588 tors. eta vs tors. theta energy: -24.511 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: 183 Temperature: 1.350000 Total energy: -863.932561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.932561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.932561 (E_RNA) where: Base-Base interactions energy: -428.798 where: short stacking energy: -254.687 Base-Backbone interact. energy: 1.510 local terms energy: -436.644757 where: bonds (distance) C4'-P energy: -124.254 bonds (distance) P-C4' energy: -144.743 flat angles C4'-P-C4' energy: -102.145 flat angles P-C4'-P energy: -67.544 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: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2899.019038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.019038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.019038 (E_RNA) where: Base-Base interactions energy: -2010.401 where: short stacking energy: -827.045 Base-Backbone interact. energy: -5.789 local terms energy: -882.829191 where: bonds (distance) C4'-P energy: -166.358 bonds (distance) P-C4' energy: -164.608 flat angles C4'-P-C4' energy: -186.033 flat angles P-C4'-P energy: -130.172 tors. eta vs tors. theta energy: -235.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2737.102690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.102690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.102690 (E_RNA) where: Base-Base interactions energy: -1837.532 where: short stacking energy: -805.362 Base-Backbone interact. energy: -9.126 local terms energy: -890.444159 where: bonds (distance) C4'-P energy: -177.216 bonds (distance) P-C4' energy: -155.044 flat angles C4'-P-C4' energy: -184.809 flat angles P-C4'-P energy: -125.626 tors. eta vs tors. theta energy: -247.749 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: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2607.079322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.079322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.079322 (E_RNA) where: Base-Base interactions energy: -1738.177 where: short stacking energy: -758.856 Base-Backbone interact. energy: -3.009 local terms energy: -865.892913 where: bonds (distance) C4'-P energy: -162.362 bonds (distance) P-C4' energy: -167.041 flat angles C4'-P-C4' energy: -182.580 flat angles P-C4'-P energy: -128.483 tors. eta vs tors. theta energy: -225.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2492.154758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.154758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.154758 (E_RNA) where: Base-Base interactions energy: -1696.149 where: short stacking energy: -715.836 Base-Backbone interact. energy: 0.997 local terms energy: -797.002771 where: bonds (distance) C4'-P energy: -140.577 bonds (distance) P-C4' energy: -145.501 flat angles C4'-P-C4' energy: -165.225 flat angles P-C4'-P energy: -127.658 tors. eta vs tors. theta energy: -218.042 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: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2235.349791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.349791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.349791 (E_RNA) where: Base-Base interactions energy: -1486.008 where: short stacking energy: -622.852 Base-Backbone interact. energy: -5.574 local terms energy: -743.767284 where: bonds (distance) C4'-P energy: -136.043 bonds (distance) P-C4' energy: -145.695 flat angles C4'-P-C4' energy: -173.004 flat angles P-C4'-P energy: -118.870 tors. eta vs tors. theta energy: -170.156 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: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2086.303086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.303086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.303086 (E_RNA) where: Base-Base interactions energy: -1388.356 where: short stacking energy: -570.406 Base-Backbone interact. energy: -3.024 local terms energy: -694.922988 where: bonds (distance) C4'-P energy: -141.873 bonds (distance) P-C4' energy: -134.133 flat angles C4'-P-C4' energy: -167.484 flat angles P-C4'-P energy: -115.726 tors. eta vs tors. theta energy: -135.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1604.290415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.290415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.290415 (E_RNA) where: Base-Base interactions energy: -1000.368 where: short stacking energy: -447.518 Base-Backbone interact. energy: -3.809 local terms energy: -600.113000 where: bonds (distance) C4'-P energy: -131.920 bonds (distance) P-C4' energy: -133.692 flat angles C4'-P-C4' energy: -152.632 flat angles P-C4'-P energy: -83.005 tors. eta vs tors. theta energy: -98.864 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: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1328.984699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.984699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.984699 (E_RNA) where: Base-Base interactions energy: -790.584 where: short stacking energy: -413.836 Base-Backbone interact. energy: -2.006 local terms energy: -536.395263 where: bonds (distance) C4'-P energy: -142.049 bonds (distance) P-C4' energy: -140.231 flat angles C4'-P-C4' energy: -137.389 flat angles P-C4'-P energy: -63.393 tors. eta vs tors. theta energy: -53.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1242.085286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.085286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.085286 (E_RNA) where: Base-Base interactions energy: -745.553 where: short stacking energy: -361.298 Base-Backbone interact. energy: -3.492 local terms energy: -493.040698 where: bonds (distance) C4'-P energy: -134.285 bonds (distance) P-C4' energy: -136.320 flat angles C4'-P-C4' energy: -131.120 flat angles P-C4'-P energy: -58.277 tors. eta vs tors. theta energy: -33.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -838.545452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.545452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.545452 (E_RNA) where: Base-Base interactions energy: -390.615 where: short stacking energy: -216.216 Base-Backbone interact. energy: -2.042 local terms energy: -445.887974 where: bonds (distance) C4'-P energy: -140.979 bonds (distance) P-C4' energy: -131.871 flat angles C4'-P-C4' energy: -125.630 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: 23.695 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: 185 Temperature: 0.900000 Total energy: -2869.841077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.841077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.841077 (E_RNA) where: Base-Base interactions energy: -1996.534 where: short stacking energy: -809.319 Base-Backbone interact. energy: -2.083 local terms energy: -871.224193 where: bonds (distance) C4'-P energy: -156.834 bonds (distance) P-C4' energy: -148.448 flat angles C4'-P-C4' energy: -181.779 flat angles P-C4'-P energy: -133.015 tors. eta vs tors. theta energy: -251.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2713.611258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.611258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.611258 (E_RNA) where: Base-Base interactions energy: -1849.364 where: short stacking energy: -790.063 Base-Backbone interact. energy: -4.848 local terms energy: -859.398936 where: bonds (distance) C4'-P energy: -172.845 bonds (distance) P-C4' energy: -158.044 flat angles C4'-P-C4' energy: -175.387 flat angles P-C4'-P energy: -118.223 tors. eta vs tors. theta energy: -234.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2552.941347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.941347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.941347 (E_RNA) where: Base-Base interactions energy: -1689.202 where: short stacking energy: -750.942 Base-Backbone interact. energy: -3.149 local terms energy: -860.590101 where: bonds (distance) C4'-P energy: -156.290 bonds (distance) P-C4' energy: -162.058 flat angles C4'-P-C4' energy: -185.211 flat angles P-C4'-P energy: -132.675 tors. eta vs tors. theta energy: -224.355 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: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2513.857915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.857915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.857915 (E_RNA) where: Base-Base interactions energy: -1727.430 where: short stacking energy: -748.154 Base-Backbone interact. energy: -0.576 local terms energy: -785.851491 where: bonds (distance) C4'-P energy: -148.956 bonds (distance) P-C4' energy: -137.468 flat angles C4'-P-C4' energy: -167.342 flat angles P-C4'-P energy: -122.351 tors. eta vs tors. theta energy: -209.734 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: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2274.220248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.220248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.220248 (E_RNA) where: Base-Base interactions energy: -1546.140 where: short stacking energy: -655.307 Base-Backbone interact. energy: -3.354 local terms energy: -724.725690 where: bonds (distance) C4'-P energy: -152.092 bonds (distance) P-C4' energy: -144.805 flat angles C4'-P-C4' energy: -157.144 flat angles P-C4'-P energy: -84.261 tors. eta vs tors. theta energy: -186.424 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: 185 Temperature: 1.150000 Total energy: -2055.304852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.304852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.304852 (E_RNA) where: Base-Base interactions energy: -1343.855 where: short stacking energy: -566.067 Base-Backbone interact. energy: -6.098 local terms energy: -705.351899 where: bonds (distance) C4'-P energy: -139.386 bonds (distance) P-C4' energy: -163.115 flat angles C4'-P-C4' energy: -160.058 flat angles P-C4'-P energy: -111.252 tors. eta vs tors. theta energy: -131.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1594.778647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.778647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.778647 (E_RNA) where: Base-Base interactions energy: -984.030 where: short stacking energy: -450.687 Base-Backbone interact. energy: 0.780 local terms energy: -611.528971 where: bonds (distance) C4'-P energy: -143.663 bonds (distance) P-C4' energy: -135.673 flat angles C4'-P-C4' energy: -161.518 flat angles P-C4'-P energy: -68.166 tors. eta vs tors. theta energy: -102.509 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: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1315.702754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.702754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.702754 (E_RNA) where: Base-Base interactions energy: -788.342 where: short stacking energy: -399.640 Base-Backbone interact. energy: 12.389 local terms energy: -539.749494 where: bonds (distance) C4'-P energy: -134.001 bonds (distance) P-C4' energy: -126.690 flat angles C4'-P-C4' energy: -138.797 flat angles P-C4'-P energy: -71.534 tors. eta vs tors. theta energy: -68.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1259.866327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.866327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.866327 (E_RNA) where: Base-Base interactions energy: -758.303 where: short stacking energy: -356.292 Base-Backbone interact. energy: 5.498 local terms energy: -507.060497 where: bonds (distance) C4'-P energy: -128.074 bonds (distance) P-C4' energy: -158.763 flat angles C4'-P-C4' energy: -122.605 flat angles P-C4'-P energy: -78.933 tors. eta vs tors. theta energy: -18.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -832.902225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.902225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.902225 (E_RNA) where: Base-Base interactions energy: -405.568 where: short stacking energy: -228.443 Base-Backbone interact. energy: 2.954 local terms energy: -430.288712 where: bonds (distance) C4'-P energy: -135.744 bonds (distance) P-C4' energy: -130.091 flat angles C4'-P-C4' energy: -100.484 flat angles P-C4'-P energy: -62.787 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2916.386684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.386684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.386684 (E_RNA) where: Base-Base interactions energy: -2018.090 where: short stacking energy: -813.403 Base-Backbone interact. energy: -3.819 local terms energy: -894.477900 where: bonds (distance) C4'-P energy: -177.188 bonds (distance) P-C4' energy: -156.830 flat angles C4'-P-C4' energy: -191.415 flat angles P-C4'-P energy: -131.670 tors. eta vs tors. theta energy: -237.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2707.779491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.779491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.779491 (E_RNA) where: Base-Base interactions energy: -1871.233 where: short stacking energy: -817.918 Base-Backbone interact. energy: -3.053 local terms energy: -833.492730 where: bonds (distance) C4'-P energy: -152.919 bonds (distance) P-C4' energy: -159.937 flat angles C4'-P-C4' energy: -171.065 flat angles P-C4'-P energy: -106.971 tors. eta vs tors. theta energy: -242.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2610.876542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.876542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.876542 (E_RNA) where: Base-Base interactions energy: -1757.591 where: short stacking energy: -781.251 Base-Backbone interact. energy: -4.016 local terms energy: -849.269337 where: bonds (distance) C4'-P energy: -163.289 bonds (distance) P-C4' energy: -146.581 flat angles C4'-P-C4' energy: -183.524 flat angles P-C4'-P energy: -129.063 tors. eta vs tors. theta energy: -226.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2472.303892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.303892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.303892 (E_RNA) where: Base-Base interactions energy: -1675.607 where: short stacking energy: -726.807 Base-Backbone interact. energy: 2.476 local terms energy: -799.173232 where: bonds (distance) C4'-P energy: -132.380 bonds (distance) P-C4' energy: -150.066 flat angles C4'-P-C4' energy: -185.200 flat angles P-C4'-P energy: -120.754 tors. eta vs tors. theta energy: -210.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2218.511168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.511168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.511168 (E_RNA) where: Base-Base interactions energy: -1475.384 where: short stacking energy: -651.662 Base-Backbone interact. energy: 5.286 local terms energy: -748.413351 where: bonds (distance) C4'-P energy: -137.765 bonds (distance) P-C4' energy: -152.820 flat angles C4'-P-C4' energy: -174.607 flat angles P-C4'-P energy: -116.968 tors. eta vs tors. theta energy: -166.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2114.720074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.720074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.720074 (E_RNA) where: Base-Base interactions energy: -1400.872 where: short stacking energy: -591.719 Base-Backbone interact. energy: -4.060 local terms energy: -709.788181 where: bonds (distance) C4'-P energy: -138.379 bonds (distance) P-C4' energy: -145.454 flat angles C4'-P-C4' energy: -175.301 flat angles P-C4'-P energy: -98.748 tors. eta vs tors. theta energy: -151.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1598.685816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.685816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.685816 (E_RNA) where: Base-Base interactions energy: -955.819 where: short stacking energy: -440.697 Base-Backbone interact. energy: -2.874 local terms energy: -639.992918 where: bonds (distance) C4'-P energy: -135.842 bonds (distance) P-C4' energy: -155.132 flat angles C4'-P-C4' energy: -137.888 flat angles P-C4'-P energy: -101.682 tors. eta vs tors. theta energy: -109.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1361.646404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.646404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.646404 (E_RNA) where: Base-Base interactions energy: -809.485 where: short stacking energy: -378.856 Base-Backbone interact. energy: 5.541 local terms energy: -557.702444 where: bonds (distance) C4'-P energy: -153.749 bonds (distance) P-C4' energy: -147.860 flat angles C4'-P-C4' energy: -132.800 flat angles P-C4'-P energy: -66.653 tors. eta vs tors. theta energy: -56.640 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: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1262.047463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.047463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.047463 (E_RNA) where: Base-Base interactions energy: -736.545 where: short stacking energy: -361.871 Base-Backbone interact. energy: -2.656 local terms energy: -522.846360 where: bonds (distance) C4'-P energy: -119.668 bonds (distance) P-C4' energy: -138.012 flat angles C4'-P-C4' energy: -127.842 flat angles P-C4'-P energy: -72.847 tors. eta vs tors. theta energy: -64.478 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: 186 Temperature: 1.350000 Total energy: -800.511821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.511821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.511821 (E_RNA) where: Base-Base interactions energy: -377.878 where: short stacking energy: -235.687 Base-Backbone interact. energy: 4.907 local terms energy: -427.541214 where: bonds (distance) C4'-P energy: -128.252 bonds (distance) P-C4' energy: -143.608 flat angles C4'-P-C4' energy: -110.755 flat angles P-C4'-P energy: -50.664 tors. eta vs tors. theta energy: 5.738 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: 187 Temperature: 0.900000 Total energy: -2928.995840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.995840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.995840 (E_RNA) where: Base-Base interactions energy: -2016.623 where: short stacking energy: -781.377 Base-Backbone interact. energy: -1.530 local terms energy: -910.843127 where: bonds (distance) C4'-P energy: -162.374 bonds (distance) P-C4' energy: -174.780 flat angles C4'-P-C4' energy: -192.990 flat angles P-C4'-P energy: -133.764 tors. eta vs tors. theta energy: -246.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2763.965801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.965801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.965801 (E_RNA) where: Base-Base interactions energy: -1871.195 where: short stacking energy: -823.764 Base-Backbone interact. energy: -3.417 local terms energy: -889.354027 where: bonds (distance) C4'-P energy: -166.232 bonds (distance) P-C4' energy: -154.002 flat angles C4'-P-C4' energy: -182.669 flat angles P-C4'-P energy: -129.311 tors. eta vs tors. theta energy: -257.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2549.244149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.244149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.244149 (E_RNA) where: Base-Base interactions energy: -1717.765 where: short stacking energy: -739.818 Base-Backbone interact. energy: -3.257 local terms energy: -828.222353 where: bonds (distance) C4'-P energy: -167.537 bonds (distance) P-C4' energy: -161.958 flat angles C4'-P-C4' energy: -177.204 flat angles P-C4'-P energy: -102.210 tors. eta vs tors. theta energy: -219.313 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: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2421.787598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.787598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.787598 (E_RNA) where: Base-Base interactions energy: -1629.827 where: short stacking energy: -719.219 Base-Backbone interact. energy: -2.155 local terms energy: -789.805644 where: bonds (distance) C4'-P energy: -157.930 bonds (distance) P-C4' energy: -165.473 flat angles C4'-P-C4' energy: -168.340 flat angles P-C4'-P energy: -100.452 tors. eta vs tors. theta energy: -197.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2236.125163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.125163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.125163 (E_RNA) where: Base-Base interactions energy: -1508.014 where: short stacking energy: -633.464 Base-Backbone interact. energy: -4.425 local terms energy: -723.686666 where: bonds (distance) C4'-P energy: -141.760 bonds (distance) P-C4' energy: -134.791 flat angles C4'-P-C4' energy: -175.598 flat angles P-C4'-P energy: -103.217 tors. eta vs tors. theta energy: -168.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2108.749389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.749389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.749389 (E_RNA) where: Base-Base interactions energy: -1426.729 where: short stacking energy: -633.828 Base-Backbone interact. energy: -3.882 local terms energy: -678.138539 where: bonds (distance) C4'-P energy: -142.544 bonds (distance) P-C4' energy: -147.666 flat angles C4'-P-C4' energy: -141.731 flat angles P-C4'-P energy: -83.619 tors. eta vs tors. theta energy: -162.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1550.468836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.468836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.468836 (E_RNA) where: Base-Base interactions energy: -948.494 where: short stacking energy: -432.993 Base-Backbone interact. energy: 1.369 local terms energy: -603.343838 where: bonds (distance) C4'-P energy: -157.216 bonds (distance) P-C4' energy: -143.237 flat angles C4'-P-C4' energy: -139.426 flat angles P-C4'-P energy: -80.991 tors. eta vs tors. theta energy: -82.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1338.194715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.194715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.194715 (E_RNA) where: Base-Base interactions energy: -801.954 where: short stacking energy: -400.318 Base-Backbone interact. energy: 0.285 local terms energy: -536.526446 where: bonds (distance) C4'-P energy: -141.009 bonds (distance) P-C4' energy: -154.744 flat angles C4'-P-C4' energy: -115.987 flat angles P-C4'-P energy: -68.264 tors. eta vs tors. theta energy: -56.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1227.326919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.326919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.326919 (E_RNA) where: Base-Base interactions energy: -724.719 where: short stacking energy: -344.557 Base-Backbone interact. energy: -2.203 local terms energy: -500.404932 where: bonds (distance) C4'-P energy: -136.267 bonds (distance) P-C4' energy: -124.242 flat angles C4'-P-C4' energy: -124.588 flat angles P-C4'-P energy: -84.917 tors. eta vs tors. theta energy: -30.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -795.278953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.278953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.278953 (E_RNA) where: Base-Base interactions energy: -381.308 where: short stacking energy: -222.365 Base-Backbone interact. energy: 1.596 local terms energy: -415.567618 where: bonds (distance) C4'-P energy: -126.299 bonds (distance) P-C4' energy: -144.016 flat angles C4'-P-C4' energy: -109.766 flat angles P-C4'-P energy: -61.354 tors. eta vs tors. theta energy: 25.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2923.661026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.661026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.661026 (E_RNA) where: Base-Base interactions energy: -2009.431 where: short stacking energy: -840.742 Base-Backbone interact. energy: -3.007 local terms energy: -911.223155 where: bonds (distance) C4'-P energy: -167.278 bonds (distance) P-C4' energy: -167.832 flat angles C4'-P-C4' energy: -185.535 flat angles P-C4'-P energy: -137.595 tors. eta vs tors. theta energy: -252.984 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: 188 Temperature: 0.950000 Total energy: -2765.340149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.340149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.340149 (E_RNA) where: Base-Base interactions energy: -1882.857 where: short stacking energy: -849.743 Base-Backbone interact. energy: -3.817 local terms energy: -878.666884 where: bonds (distance) C4'-P energy: -148.481 bonds (distance) P-C4' energy: -159.138 flat angles C4'-P-C4' energy: -191.424 flat angles P-C4'-P energy: -126.692 tors. eta vs tors. theta energy: -252.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2580.692395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.692395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.692395 (E_RNA) where: Base-Base interactions energy: -1753.717 where: short stacking energy: -711.274 Base-Backbone interact. energy: 1.988 local terms energy: -828.963814 where: bonds (distance) C4'-P energy: -139.737 bonds (distance) P-C4' energy: -162.996 flat angles C4'-P-C4' energy: -191.789 flat angles P-C4'-P energy: -124.882 tors. eta vs tors. theta energy: -209.559 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: 4, replica: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2487.866959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.866959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.866959 (E_RNA) where: Base-Base interactions energy: -1676.643 where: short stacking energy: -726.974 Base-Backbone interact. energy: 0.119 local terms energy: -811.343575 where: bonds (distance) C4'-P energy: -150.136 bonds (distance) P-C4' energy: -149.759 flat angles C4'-P-C4' energy: -191.748 flat angles P-C4'-P energy: -109.920 tors. eta vs tors. theta energy: -209.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2215.953698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.953698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.953698 (E_RNA) where: Base-Base interactions energy: -1528.274 where: short stacking energy: -619.414 Base-Backbone interact. energy: -2.354 local terms energy: -685.325729 where: bonds (distance) C4'-P energy: -133.268 bonds (distance) P-C4' energy: -152.224 flat angles C4'-P-C4' energy: -160.632 flat angles P-C4'-P energy: -87.016 tors. eta vs tors. theta energy: -152.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2038.013833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.013833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.013833 (E_RNA) where: Base-Base interactions energy: -1345.245 where: short stacking energy: -580.226 Base-Backbone interact. energy: 1.619 local terms energy: -694.387851 where: bonds (distance) C4'-P energy: -136.231 bonds (distance) P-C4' energy: -155.299 flat angles C4'-P-C4' energy: -140.894 flat angles P-C4'-P energy: -104.425 tors. eta vs tors. theta energy: -157.538 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: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1507.437612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.437612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.437612 (E_RNA) where: Base-Base interactions energy: -927.664 where: short stacking energy: -430.002 Base-Backbone interact. energy: -2.061 local terms energy: -577.712448 where: bonds (distance) C4'-P energy: -122.037 bonds (distance) P-C4' energy: -147.670 flat angles C4'-P-C4' energy: -142.079 flat angles P-C4'-P energy: -92.490 tors. eta vs tors. theta energy: -73.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1374.330282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.330282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.330282 (E_RNA) where: Base-Base interactions energy: -796.961 where: short stacking energy: -391.764 Base-Backbone interact. energy: -2.047 local terms energy: -575.322830 where: bonds (distance) C4'-P energy: -143.484 bonds (distance) P-C4' energy: -144.942 flat angles C4'-P-C4' energy: -136.549 flat angles P-C4'-P energy: -91.053 tors. eta vs tors. theta energy: -59.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1182.398012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.398012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.398012 (E_RNA) where: Base-Base interactions energy: -716.702 where: short stacking energy: -334.885 Base-Backbone interact. energy: -1.035 local terms energy: -464.660692 where: bonds (distance) C4'-P energy: -130.415 bonds (distance) P-C4' energy: -131.891 flat angles C4'-P-C4' energy: -107.002 flat angles P-C4'-P energy: -62.140 tors. eta vs tors. theta energy: -33.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -780.320457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.320457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.320457 (E_RNA) where: Base-Base interactions energy: -368.700 where: short stacking energy: -212.582 Base-Backbone interact. energy: -3.225 local terms energy: -408.395533 where: bonds (distance) C4'-P energy: -110.704 bonds (distance) P-C4' energy: -123.301 flat angles C4'-P-C4' energy: -95.311 flat angles P-C4'-P energy: -83.955 tors. eta vs tors. theta energy: 4.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2895.993784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.993784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.993784 (E_RNA) where: Base-Base interactions energy: -2003.132 where: short stacking energy: -825.586 Base-Backbone interact. energy: -6.618 local terms energy: -886.243835 where: bonds (distance) C4'-P energy: -163.804 bonds (distance) P-C4' energy: -170.270 flat angles C4'-P-C4' energy: -190.913 flat angles P-C4'-P energy: -113.031 tors. eta vs tors. theta energy: -248.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2790.552911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.552911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.552911 (E_RNA) where: Base-Base interactions energy: -1899.136 where: short stacking energy: -833.517 Base-Backbone interact. energy: -8.659 local terms energy: -882.758063 where: bonds (distance) C4'-P energy: -155.986 bonds (distance) P-C4' energy: -160.632 flat angles C4'-P-C4' energy: -188.820 flat angles P-C4'-P energy: -128.183 tors. eta vs tors. theta energy: -249.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2635.614639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.614639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.614639 (E_RNA) where: Base-Base interactions energy: -1816.078 where: short stacking energy: -754.637 Base-Backbone interact. energy: -0.072 local terms energy: -819.465081 where: bonds (distance) C4'-P energy: -163.114 bonds (distance) P-C4' energy: -162.561 flat angles C4'-P-C4' energy: -168.455 flat angles P-C4'-P energy: -110.103 tors. eta vs tors. theta energy: -215.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2421.550788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.550788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.550788 (E_RNA) where: Base-Base interactions energy: -1634.306 where: short stacking energy: -696.099 Base-Backbone interact. energy: -1.165 local terms energy: -786.079790 where: bonds (distance) C4'-P energy: -147.200 bonds (distance) P-C4' energy: -150.922 flat angles C4'-P-C4' energy: -174.717 flat angles P-C4'-P energy: -117.099 tors. eta vs tors. theta energy: -196.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2181.810812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.810812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.810812 (E_RNA) where: Base-Base interactions energy: -1435.633 where: short stacking energy: -622.201 Base-Backbone interact. energy: -3.542 local terms energy: -742.636073 where: bonds (distance) C4'-P energy: -159.192 bonds (distance) P-C4' energy: -150.520 flat angles C4'-P-C4' energy: -174.975 flat angles P-C4'-P energy: -91.215 tors. eta vs tors. theta energy: -166.735 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: 189 Temperature: 1.150000 Total energy: -2063.227506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.227506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.227506 (E_RNA) where: Base-Base interactions energy: -1391.982 where: short stacking energy: -576.506 Base-Backbone interact. energy: 3.723 local terms energy: -674.968565 where: bonds (distance) C4'-P energy: -126.851 bonds (distance) P-C4' energy: -151.144 flat angles C4'-P-C4' energy: -151.249 flat angles P-C4'-P energy: -105.592 tors. eta vs tors. theta energy: -140.133 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: 189 Temperature: 1.200000 Total energy: -1531.193567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.193567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.193567 (E_RNA) where: Base-Base interactions energy: -914.894 where: short stacking energy: -456.182 Base-Backbone interact. energy: -3.157 local terms energy: -613.141947 where: bonds (distance) C4'-P energy: -136.581 bonds (distance) P-C4' energy: -143.675 flat angles C4'-P-C4' energy: -146.608 flat angles P-C4'-P energy: -82.816 tors. eta vs tors. theta energy: -103.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1383.232554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.232554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.232554 (E_RNA) where: Base-Base interactions energy: -813.942 where: short stacking energy: -378.947 Base-Backbone interact. energy: 4.043 local terms energy: -573.333405 where: bonds (distance) C4'-P energy: -136.270 bonds (distance) P-C4' energy: -140.483 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -94.931 tors. eta vs tors. theta energy: -67.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1232.448378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.448378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.448378 (E_RNA) where: Base-Base interactions energy: -709.826 where: short stacking energy: -328.033 Base-Backbone interact. energy: 5.972 local terms energy: -528.594793 where: bonds (distance) C4'-P energy: -135.431 bonds (distance) P-C4' energy: -124.657 flat angles C4'-P-C4' energy: -131.579 flat angles P-C4'-P energy: -85.721 tors. eta vs tors. theta energy: -51.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -854.680692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.680692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.680692 (E_RNA) where: Base-Base interactions energy: -431.592 where: short stacking energy: -229.824 Base-Backbone interact. energy: 3.334 local terms energy: -426.422422 where: bonds (distance) C4'-P energy: -133.154 bonds (distance) P-C4' energy: -141.520 flat angles C4'-P-C4' energy: -111.653 flat angles P-C4'-P energy: -58.643 tors. eta vs tors. theta energy: 18.547 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: 190 Temperature: 0.900000 Total energy: -2913.666314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.666314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.666314 (E_RNA) where: Base-Base interactions energy: -2039.596 where: short stacking energy: -846.284 Base-Backbone interact. energy: -1.706 local terms energy: -872.363645 where: bonds (distance) C4'-P energy: -154.605 bonds (distance) P-C4' energy: -157.272 flat angles C4'-P-C4' energy: -193.523 flat angles P-C4'-P energy: -125.689 tors. eta vs tors. theta energy: -241.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2734.569386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.569386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.569386 (E_RNA) where: Base-Base interactions energy: -1857.843 where: short stacking energy: -810.169 Base-Backbone interact. energy: -3.268 local terms energy: -873.458074 where: bonds (distance) C4'-P energy: -166.411 bonds (distance) P-C4' energy: -158.060 flat angles C4'-P-C4' energy: -180.919 flat angles P-C4'-P energy: -121.551 tors. eta vs tors. theta energy: -246.518 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: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2612.071987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.071987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.071987 (E_RNA) where: Base-Base interactions energy: -1798.481 where: short stacking energy: -734.317 Base-Backbone interact. energy: -5.609 local terms energy: -807.981499 where: bonds (distance) C4'-P energy: -143.143 bonds (distance) P-C4' energy: -168.650 flat angles C4'-P-C4' energy: -176.795 flat angles P-C4'-P energy: -101.215 tors. eta vs tors. theta energy: -218.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2418.659609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.659609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.659609 (E_RNA) where: Base-Base interactions energy: -1631.664 where: short stacking energy: -722.383 Base-Backbone interact. energy: 0.281 local terms energy: -787.276548 where: bonds (distance) C4'-P energy: -149.179 bonds (distance) P-C4' energy: -153.126 flat angles C4'-P-C4' energy: -173.078 flat angles P-C4'-P energy: -97.428 tors. eta vs tors. theta energy: -214.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2133.168908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.168908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.168908 (E_RNA) where: Base-Base interactions energy: -1398.588 where: short stacking energy: -634.286 Base-Backbone interact. energy: -0.063 local terms energy: -734.517640 where: bonds (distance) C4'-P energy: -138.962 bonds (distance) P-C4' energy: -158.067 flat angles C4'-P-C4' energy: -168.245 flat angles P-C4'-P energy: -101.271 tors. eta vs tors. theta energy: -167.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1974.890022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.890022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.890022 (E_RNA) where: Base-Base interactions energy: -1287.625 where: short stacking energy: -512.628 Base-Backbone interact. energy: -2.943 local terms energy: -684.322525 where: bonds (distance) C4'-P energy: -144.084 bonds (distance) P-C4' energy: -159.616 flat angles C4'-P-C4' energy: -153.636 flat angles P-C4'-P energy: -102.747 tors. eta vs tors. theta energy: -124.240 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: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1529.143325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.143325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.143325 (E_RNA) where: Base-Base interactions energy: -923.203 where: short stacking energy: -436.515 Base-Backbone interact. energy: -0.422 local terms energy: -605.518291 where: bonds (distance) C4'-P energy: -153.888 bonds (distance) P-C4' energy: -153.919 flat angles C4'-P-C4' energy: -124.488 flat angles P-C4'-P energy: -94.420 tors. eta vs tors. theta energy: -78.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1314.348291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.348291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.348291 (E_RNA) where: Base-Base interactions energy: -758.159 where: short stacking energy: -343.936 Base-Backbone interact. energy: -4.764 local terms energy: -551.425336 where: bonds (distance) C4'-P energy: -142.966 bonds (distance) P-C4' energy: -136.501 flat angles C4'-P-C4' energy: -137.386 flat angles P-C4'-P energy: -91.449 tors. eta vs tors. theta energy: -43.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1221.830322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.830322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.830322 (E_RNA) where: Base-Base interactions energy: -733.414 where: short stacking energy: -349.221 Base-Backbone interact. energy: 0.660 local terms energy: -489.075780 where: bonds (distance) C4'-P energy: -132.778 bonds (distance) P-C4' energy: -117.976 flat angles C4'-P-C4' energy: -113.278 flat angles P-C4'-P energy: -85.755 tors. eta vs tors. theta energy: -39.288 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: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -842.290078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.290078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.290078 (E_RNA) where: Base-Base interactions energy: -399.193 where: short stacking energy: -235.027 Base-Backbone interact. energy: 1.427 local terms energy: -444.523864 where: bonds (distance) C4'-P energy: -128.335 bonds (distance) P-C4' energy: -129.261 flat angles C4'-P-C4' energy: -113.954 flat angles P-C4'-P energy: -87.921 tors. eta vs tors. theta energy: 14.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2911.722214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.722214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.722214 (E_RNA) where: Base-Base interactions energy: -2002.222 where: short stacking energy: -840.055 Base-Backbone interact. energy: -1.348 local terms energy: -908.151702 where: bonds (distance) C4'-P energy: -169.770 bonds (distance) P-C4' energy: -173.302 flat angles C4'-P-C4' energy: -184.979 flat angles P-C4'-P energy: -131.652 tors. eta vs tors. theta energy: -248.448 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: 8 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2760.416321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.416321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.416321 (E_RNA) where: Base-Base interactions energy: -1880.697 where: short stacking energy: -803.556 Base-Backbone interact. energy: -2.984 local terms energy: -876.735194 where: bonds (distance) C4'-P energy: -152.511 bonds (distance) P-C4' energy: -153.718 flat angles C4'-P-C4' energy: -180.390 flat angles P-C4'-P energy: -132.855 tors. eta vs tors. theta energy: -257.262 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: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2654.513010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.513010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.513010 (E_RNA) where: Base-Base interactions energy: -1829.705 where: short stacking energy: -767.464 Base-Backbone interact. energy: -1.895 local terms energy: -822.913435 where: bonds (distance) C4'-P energy: -161.447 bonds (distance) P-C4' energy: -153.139 flat angles C4'-P-C4' energy: -180.237 flat angles P-C4'-P energy: -102.188 tors. eta vs tors. theta energy: -225.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2438.807637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.807637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.807637 (E_RNA) where: Base-Base interactions energy: -1637.347 where: short stacking energy: -692.493 Base-Backbone interact. energy: 2.382 local terms energy: -803.843036 where: bonds (distance) C4'-P energy: -152.327 bonds (distance) P-C4' energy: -155.005 flat angles C4'-P-C4' energy: -180.940 flat angles P-C4'-P energy: -111.118 tors. eta vs tors. theta energy: -204.454 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: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2104.859047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.859047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.859047 (E_RNA) where: Base-Base interactions energy: -1383.762 where: short stacking energy: -568.984 Base-Backbone interact. energy: 1.154 local terms energy: -722.250546 where: bonds (distance) C4'-P energy: -157.865 bonds (distance) P-C4' energy: -134.473 flat angles C4'-P-C4' energy: -157.141 flat angles P-C4'-P energy: -124.974 tors. eta vs tors. theta energy: -147.798 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: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2001.191883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.191883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.191883 (E_RNA) where: Base-Base interactions energy: -1371.342 where: short stacking energy: -597.017 Base-Backbone interact. energy: -4.276 local terms energy: -625.573916 where: bonds (distance) C4'-P energy: -102.364 bonds (distance) P-C4' energy: -125.946 flat angles C4'-P-C4' energy: -139.179 flat angles P-C4'-P energy: -113.049 tors. eta vs tors. theta energy: -145.036 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: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1498.095117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.095117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.095117 (E_RNA) where: Base-Base interactions energy: -895.492 where: short stacking energy: -403.492 Base-Backbone interact. energy: 1.890 local terms energy: -604.492700 where: bonds (distance) C4'-P energy: -136.352 bonds (distance) P-C4' energy: -156.581 flat angles C4'-P-C4' energy: -138.186 flat angles P-C4'-P energy: -94.225 tors. eta vs tors. theta energy: -79.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1359.691540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.691540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.691540 (E_RNA) where: Base-Base interactions energy: -814.352 where: short stacking energy: -379.441 Base-Backbone interact. energy: 5.573 local terms energy: -550.913096 where: bonds (distance) C4'-P energy: -144.090 bonds (distance) P-C4' energy: -150.804 flat angles C4'-P-C4' energy: -124.096 flat angles P-C4'-P energy: -75.470 tors. eta vs tors. theta energy: -56.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1172.213368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.213368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.213368 (E_RNA) where: Base-Base interactions energy: -676.953 where: short stacking energy: -316.561 Base-Backbone interact. energy: -0.769 local terms energy: -494.490618 where: bonds (distance) C4'-P energy: -127.568 bonds (distance) P-C4' energy: -143.306 flat angles C4'-P-C4' energy: -119.028 flat angles P-C4'-P energy: -77.080 tors. eta vs tors. theta energy: -27.508 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: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -807.451072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.451072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.451072 (E_RNA) where: Base-Base interactions energy: -345.295 where: short stacking energy: -216.982 Base-Backbone interact. energy: -0.171 local terms energy: -461.984364 where: bonds (distance) C4'-P energy: -131.145 bonds (distance) P-C4' energy: -139.289 flat angles C4'-P-C4' energy: -110.157 flat angles P-C4'-P energy: -89.243 tors. eta vs tors. theta energy: 7.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2929.451247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.451247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.451247 (E_RNA) where: Base-Base interactions energy: -2039.916 where: short stacking energy: -861.580 Base-Backbone interact. energy: -2.824 local terms energy: -886.711103 where: bonds (distance) C4'-P energy: -173.666 bonds (distance) P-C4' energy: -157.576 flat angles C4'-P-C4' energy: -200.568 flat angles P-C4'-P energy: -105.170 tors. eta vs tors. theta energy: -249.732 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: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2765.879391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.879391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.879391 (E_RNA) where: Base-Base interactions energy: -1858.927 where: short stacking energy: -832.717 Base-Backbone interact. energy: -4.591 local terms energy: -902.361869 where: bonds (distance) C4'-P energy: -145.876 bonds (distance) P-C4' energy: -174.261 flat angles C4'-P-C4' energy: -187.208 flat angles P-C4'-P energy: -134.673 tors. eta vs tors. theta energy: -260.344 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: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2691.147622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.147622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.147622 (E_RNA) where: Base-Base interactions energy: -1854.632 where: short stacking energy: -777.586 Base-Backbone interact. energy: -3.169 local terms energy: -833.346328 where: bonds (distance) C4'-P energy: -153.070 bonds (distance) P-C4' energy: -164.827 flat angles C4'-P-C4' energy: -172.230 flat angles P-C4'-P energy: -124.659 tors. eta vs tors. theta energy: -218.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2400.205742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.205742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.205742 (E_RNA) where: Base-Base interactions energy: -1611.064 where: short stacking energy: -715.294 Base-Backbone interact. energy: -0.981 local terms energy: -788.161120 where: bonds (distance) C4'-P energy: -143.909 bonds (distance) P-C4' energy: -170.671 flat angles C4'-P-C4' energy: -161.881 flat angles P-C4'-P energy: -106.956 tors. eta vs tors. theta energy: -204.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2074.491264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.491264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.491264 (E_RNA) where: Base-Base interactions energy: -1358.919 where: short stacking energy: -593.696 Base-Backbone interact. energy: -5.786 local terms energy: -709.785650 where: bonds (distance) C4'-P energy: -149.877 bonds (distance) P-C4' energy: -153.129 flat angles C4'-P-C4' energy: -152.773 flat angles P-C4'-P energy: -86.014 tors. eta vs tors. theta energy: -167.993 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: 192 Temperature: 1.150000 Total energy: -2101.152605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.152605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.152605 (E_RNA) where: Base-Base interactions energy: -1388.008 where: short stacking energy: -574.132 Base-Backbone interact. energy: -5.508 local terms energy: -707.636254 where: bonds (distance) C4'-P energy: -146.946 bonds (distance) P-C4' energy: -164.623 flat angles C4'-P-C4' energy: -159.890 flat angles P-C4'-P energy: -102.135 tors. eta vs tors. theta energy: -134.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1548.903418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.903418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.903418 (E_RNA) where: Base-Base interactions energy: -924.568 where: short stacking energy: -461.258 Base-Backbone interact. energy: -0.666 local terms energy: -623.669837 where: bonds (distance) C4'-P energy: -134.074 bonds (distance) P-C4' energy: -144.137 flat angles C4'-P-C4' energy: -152.871 flat angles P-C4'-P energy: -95.070 tors. eta vs tors. theta energy: -97.517 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: 5 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1370.618081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.618081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.618081 (E_RNA) where: Base-Base interactions energy: -805.076 where: short stacking energy: -377.847 Base-Backbone interact. energy: 6.715 local terms energy: -572.257131 where: bonds (distance) C4'-P energy: -166.258 bonds (distance) P-C4' energy: -151.362 flat angles C4'-P-C4' energy: -121.360 flat angles P-C4'-P energy: -86.963 tors. eta vs tors. theta energy: -46.314 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: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1223.881408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.881408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.881408 (E_RNA) where: Base-Base interactions energy: -712.922 where: short stacking energy: -332.969 Base-Backbone interact. energy: 1.353 local terms energy: -512.312177 where: bonds (distance) C4'-P energy: -131.576 bonds (distance) P-C4' energy: -130.521 flat angles C4'-P-C4' energy: -153.305 flat angles P-C4'-P energy: -72.349 tors. eta vs tors. theta energy: -24.561 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: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -776.387818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.387818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.387818 (E_RNA) where: Base-Base interactions energy: -328.281 where: short stacking energy: -211.721 Base-Backbone interact. energy: -2.440 local terms energy: -445.666739 where: bonds (distance) C4'-P energy: -143.180 bonds (distance) P-C4' energy: -135.965 flat angles C4'-P-C4' energy: -119.406 flat angles P-C4'-P energy: -60.722 tors. eta vs tors. theta energy: 13.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2899.702284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.702284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.702284 (E_RNA) where: Base-Base interactions energy: -2001.730 where: short stacking energy: -836.260 Base-Backbone interact. energy: -5.428 local terms energy: -892.545075 where: bonds (distance) C4'-P energy: -158.548 bonds (distance) P-C4' energy: -165.864 flat angles C4'-P-C4' energy: -190.866 flat angles P-C4'-P energy: -125.656 tors. eta vs tors. theta energy: -251.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2762.308188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.308188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.308188 (E_RNA) where: Base-Base interactions energy: -1895.776 where: short stacking energy: -826.795 Base-Backbone interact. energy: -1.479 local terms energy: -865.053825 where: bonds (distance) C4'-P energy: -142.841 bonds (distance) P-C4' energy: -163.144 flat angles C4'-P-C4' energy: -185.541 flat angles P-C4'-P energy: -124.238 tors. eta vs tors. theta energy: -249.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2658.835130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.835130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.835130 (E_RNA) where: Base-Base interactions energy: -1807.192 where: short stacking energy: -779.083 Base-Backbone interact. energy: -3.835 local terms energy: -847.807801 where: bonds (distance) C4'-P energy: -143.639 bonds (distance) P-C4' energy: -159.631 flat angles C4'-P-C4' energy: -192.054 flat angles P-C4'-P energy: -118.541 tors. eta vs tors. theta energy: -233.943 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: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2441.902686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.902686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.902686 (E_RNA) where: Base-Base interactions energy: -1656.647 where: short stacking energy: -704.208 Base-Backbone interact. energy: -1.335 local terms energy: -783.921230 where: bonds (distance) C4'-P energy: -146.968 bonds (distance) P-C4' energy: -158.165 flat angles C4'-P-C4' energy: -169.889 flat angles P-C4'-P energy: -105.319 tors. eta vs tors. theta energy: -203.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2123.350998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.350998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.350998 (E_RNA) where: Base-Base interactions energy: -1373.179 where: short stacking energy: -579.979 Base-Backbone interact. energy: -3.121 local terms energy: -747.050816 where: bonds (distance) C4'-P energy: -162.069 bonds (distance) P-C4' energy: -165.334 flat angles C4'-P-C4' energy: -154.545 flat angles P-C4'-P energy: -113.367 tors. eta vs tors. theta energy: -151.735 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: 193 Temperature: 1.150000 Total energy: -2030.538556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.538556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.538556 (E_RNA) where: Base-Base interactions energy: -1362.943 where: short stacking energy: -575.975 Base-Backbone interact. energy: -6.916 local terms energy: -660.679998 where: bonds (distance) C4'-P energy: -142.077 bonds (distance) P-C4' energy: -161.531 flat angles C4'-P-C4' energy: -146.352 flat angles P-C4'-P energy: -83.210 tors. eta vs tors. theta energy: -127.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1506.150536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.150536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.150536 (E_RNA) where: Base-Base interactions energy: -932.105 where: short stacking energy: -390.330 Base-Backbone interact. energy: 0.751 local terms energy: -574.795947 where: bonds (distance) C4'-P energy: -145.955 bonds (distance) P-C4' energy: -138.364 flat angles C4'-P-C4' energy: -134.343 flat angles P-C4'-P energy: -82.833 tors. eta vs tors. theta energy: -73.301 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: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1379.765127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.765127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.765127 (E_RNA) where: Base-Base interactions energy: -813.719 where: short stacking energy: -381.097 Base-Backbone interact. energy: 0.342 local terms energy: -566.388128 where: bonds (distance) C4'-P energy: -135.935 bonds (distance) P-C4' energy: -143.502 flat angles C4'-P-C4' energy: -133.411 flat angles P-C4'-P energy: -94.965 tors. eta vs tors. theta energy: -58.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1209.272739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.272739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.272739 (E_RNA) where: Base-Base interactions energy: -706.749 where: short stacking energy: -345.174 Base-Backbone interact. energy: -0.623 local terms energy: -501.900665 where: bonds (distance) C4'-P energy: -135.679 bonds (distance) P-C4' energy: -140.055 flat angles C4'-P-C4' energy: -126.390 flat angles P-C4'-P energy: -62.408 tors. eta vs tors. theta energy: -37.369 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: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -816.847025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.847025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.847025 (E_RNA) where: Base-Base interactions energy: -415.672 where: short stacking energy: -191.202 Base-Backbone interact. energy: -2.438 local terms energy: -398.737129 where: bonds (distance) C4'-P energy: -125.192 bonds (distance) P-C4' energy: -141.163 flat angles C4'-P-C4' energy: -112.175 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: 31.896 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: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2882.046902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.046902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.046902 (E_RNA) where: Base-Base interactions energy: -1978.467 where: short stacking energy: -821.815 Base-Backbone interact. energy: -4.383 local terms energy: -899.196700 where: bonds (distance) C4'-P energy: -153.859 bonds (distance) P-C4' energy: -164.232 flat angles C4'-P-C4' energy: -196.593 flat angles P-C4'-P energy: -132.938 tors. eta vs tors. theta energy: -251.575 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: 194 Temperature: 0.950000 Total energy: -2757.416227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.416227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.416227 (E_RNA) where: Base-Base interactions energy: -1864.601 where: short stacking energy: -795.996 Base-Backbone interact. energy: -3.283 local terms energy: -889.532377 where: bonds (distance) C4'-P energy: -160.656 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -179.329 flat angles P-C4'-P energy: -127.190 tors. eta vs tors. theta energy: -249.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2655.606110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.606110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.606110 (E_RNA) where: Base-Base interactions energy: -1847.993 where: short stacking energy: -764.089 Base-Backbone interact. energy: 2.797 local terms energy: -810.410683 where: bonds (distance) C4'-P energy: -155.350 bonds (distance) P-C4' energy: -158.108 flat angles C4'-P-C4' energy: -180.841 flat angles P-C4'-P energy: -91.066 tors. eta vs tors. theta energy: -225.046 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: 4, replica: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2440.190232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.190232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.190232 (E_RNA) where: Base-Base interactions energy: -1642.571 where: short stacking energy: -708.952 Base-Backbone interact. energy: -4.778 local terms energy: -792.840665 where: bonds (distance) C4'-P energy: -158.118 bonds (distance) P-C4' energy: -153.409 flat angles C4'-P-C4' energy: -162.686 flat angles P-C4'-P energy: -114.899 tors. eta vs tors. theta energy: -203.728 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: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2097.006433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.006433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.006433 (E_RNA) where: Base-Base interactions energy: -1394.760 where: short stacking energy: -609.185 Base-Backbone interact. energy: -4.376 local terms energy: -697.870310 where: bonds (distance) C4'-P energy: -134.937 bonds (distance) P-C4' energy: -149.638 flat angles C4'-P-C4' energy: -164.406 flat angles P-C4'-P energy: -101.545 tors. eta vs tors. theta energy: -147.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2042.413480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.413480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.413480 (E_RNA) where: Base-Base interactions energy: -1325.109 where: short stacking energy: -573.536 Base-Backbone interact. energy: -2.337 local terms energy: -714.967266 where: bonds (distance) C4'-P energy: -150.148 bonds (distance) P-C4' energy: -153.559 flat angles C4'-P-C4' energy: -165.753 flat angles P-C4'-P energy: -97.587 tors. eta vs tors. theta energy: -147.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1555.745755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.745755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.745755 (E_RNA) where: Base-Base interactions energy: -962.759 where: short stacking energy: -458.912 Base-Backbone interact. energy: -1.495 local terms energy: -591.491455 where: bonds (distance) C4'-P energy: -143.062 bonds (distance) P-C4' energy: -137.393 flat angles C4'-P-C4' energy: -141.058 flat angles P-C4'-P energy: -74.468 tors. eta vs tors. theta energy: -95.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1339.575182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.575182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.575182 (E_RNA) where: Base-Base interactions energy: -839.835 where: short stacking energy: -393.172 Base-Backbone interact. energy: 5.925 local terms energy: -505.664485 where: bonds (distance) C4'-P energy: -120.413 bonds (distance) P-C4' energy: -131.527 flat angles C4'-P-C4' energy: -136.623 flat angles P-C4'-P energy: -74.762 tors. eta vs tors. theta energy: -42.339 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: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1217.794316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.794316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.794316 (E_RNA) where: Base-Base interactions energy: -686.812 where: short stacking energy: -338.205 Base-Backbone interact. energy: 5.439 local terms energy: -536.421230 where: bonds (distance) C4'-P energy: -134.334 bonds (distance) P-C4' energy: -140.340 flat angles C4'-P-C4' energy: -138.149 flat angles P-C4'-P energy: -84.874 tors. eta vs tors. theta energy: -38.725 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: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -807.159945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.159945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.159945 (E_RNA) where: Base-Base interactions energy: -397.086 where: short stacking energy: -256.789 Base-Backbone interact. energy: 0.018 local terms energy: -410.092082 where: bonds (distance) C4'-P energy: -112.696 bonds (distance) P-C4' energy: -134.191 flat angles C4'-P-C4' energy: -101.787 flat angles P-C4'-P energy: -68.397 tors. eta vs tors. theta energy: 6.979 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: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2880.834983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.834983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.834983 (E_RNA) where: Base-Base interactions energy: -1970.055 where: short stacking energy: -825.361 Base-Backbone interact. energy: -5.546 local terms energy: -905.233661 where: bonds (distance) C4'-P energy: -163.474 bonds (distance) P-C4' energy: -159.946 flat angles C4'-P-C4' energy: -188.384 flat angles P-C4'-P energy: -139.054 tors. eta vs tors. theta energy: -254.376 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: 8 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2720.283337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.283337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.283337 (E_RNA) where: Base-Base interactions energy: -1861.304 where: short stacking energy: -796.904 Base-Backbone interact. energy: -2.034 local terms energy: -856.945441 where: bonds (distance) C4'-P energy: -167.758 bonds (distance) P-C4' energy: -159.862 flat angles C4'-P-C4' energy: -180.672 flat angles P-C4'-P energy: -114.721 tors. eta vs tors. theta energy: -233.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2654.736125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.736125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.736125 (E_RNA) where: Base-Base interactions energy: -1836.521 where: short stacking energy: -766.514 Base-Backbone interact. energy: -3.206 local terms energy: -815.009531 where: bonds (distance) C4'-P energy: -147.856 bonds (distance) P-C4' energy: -159.885 flat angles C4'-P-C4' energy: -174.333 flat angles P-C4'-P energy: -104.094 tors. eta vs tors. theta energy: -228.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2435.823035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.823035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.823035 (E_RNA) where: Base-Base interactions energy: -1633.836 where: short stacking energy: -694.044 Base-Backbone interact. energy: -0.950 local terms energy: -801.036423 where: bonds (distance) C4'-P energy: -149.001 bonds (distance) P-C4' energy: -157.217 flat angles C4'-P-C4' energy: -187.342 flat angles P-C4'-P energy: -116.766 tors. eta vs tors. theta energy: -190.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2157.541490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.541490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.541490 (E_RNA) where: Base-Base interactions energy: -1425.142 where: short stacking energy: -648.351 Base-Backbone interact. energy: -1.352 local terms energy: -731.047135 where: bonds (distance) C4'-P energy: -128.693 bonds (distance) P-C4' energy: -159.206 flat angles C4'-P-C4' energy: -162.614 flat angles P-C4'-P energy: -104.883 tors. eta vs tors. theta energy: -175.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1979.462047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.462047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.462047 (E_RNA) where: Base-Base interactions energy: -1296.462 where: short stacking energy: -550.510 Base-Backbone interact. energy: 7.071 local terms energy: -690.070427 where: bonds (distance) C4'-P energy: -162.982 bonds (distance) P-C4' energy: -144.867 flat angles C4'-P-C4' energy: -154.889 flat angles P-C4'-P energy: -97.611 tors. eta vs tors. theta energy: -129.722 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: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1550.677938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.677938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.677938 (E_RNA) where: Base-Base interactions energy: -907.336 where: short stacking energy: -468.328 Base-Backbone interact. energy: -3.898 local terms energy: -639.444316 where: bonds (distance) C4'-P energy: -140.966 bonds (distance) P-C4' energy: -142.648 flat angles C4'-P-C4' energy: -143.976 flat angles P-C4'-P energy: -96.056 tors. eta vs tors. theta energy: -115.799 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: 5 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1355.109910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.109910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.109910 (E_RNA) where: Base-Base interactions energy: -797.222 where: short stacking energy: -391.473 Base-Backbone interact. energy: 9.308 local terms energy: -567.196047 where: bonds (distance) C4'-P energy: -126.911 bonds (distance) P-C4' energy: -142.757 flat angles C4'-P-C4' energy: -145.892 flat angles P-C4'-P energy: -99.692 tors. eta vs tors. theta energy: -51.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1259.240009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.240009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.240009 (E_RNA) where: Base-Base interactions energy: -727.711 where: short stacking energy: -368.202 Base-Backbone interact. energy: 4.256 local terms energy: -535.785312 where: bonds (distance) C4'-P energy: -141.598 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -131.632 flat angles P-C4'-P energy: -79.893 tors. eta vs tors. theta energy: -39.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -828.428087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.428087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.428087 (E_RNA) where: Base-Base interactions energy: -375.984 where: short stacking energy: -191.451 Base-Backbone interact. energy: -0.553 local terms energy: -451.890462 where: bonds (distance) C4'-P energy: -119.050 bonds (distance) P-C4' energy: -154.947 flat angles C4'-P-C4' energy: -119.835 flat angles P-C4'-P energy: -83.048 tors. eta vs tors. theta energy: 24.989 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: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2874.169433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.169433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.169433 (E_RNA) where: Base-Base interactions energy: -1989.291 where: short stacking energy: -828.277 Base-Backbone interact. energy: -1.892 local terms energy: -882.985747 where: bonds (distance) C4'-P energy: -180.984 bonds (distance) P-C4' energy: -154.208 flat angles C4'-P-C4' energy: -178.399 flat angles P-C4'-P energy: -121.757 tors. eta vs tors. theta energy: -247.637 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: 196 Temperature: 0.950000 Total energy: -2745.828291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.828291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.828291 (E_RNA) where: Base-Base interactions energy: -1871.806 where: short stacking energy: -819.378 Base-Backbone interact. energy: -3.663 local terms energy: -870.359896 where: bonds (distance) C4'-P energy: -164.084 bonds (distance) P-C4' energy: -150.118 flat angles C4'-P-C4' energy: -187.817 flat angles P-C4'-P energy: -116.052 tors. eta vs tors. theta energy: -252.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2689.321134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.321134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.321134 (E_RNA) where: Base-Base interactions energy: -1841.465 where: short stacking energy: -792.319 Base-Backbone interact. energy: -3.233 local terms energy: -844.623581 where: bonds (distance) C4'-P energy: -156.327 bonds (distance) P-C4' energy: -162.379 flat angles C4'-P-C4' energy: -173.927 flat angles P-C4'-P energy: -120.657 tors. eta vs tors. theta energy: -231.334 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: 4, replica: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2411.541997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.541997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.541997 (E_RNA) where: Base-Base interactions energy: -1649.130 where: short stacking energy: -703.843 Base-Backbone interact. energy: -2.156 local terms energy: -760.255469 where: bonds (distance) C4'-P energy: -146.757 bonds (distance) P-C4' energy: -156.299 flat angles C4'-P-C4' energy: -163.187 flat angles P-C4'-P energy: -90.049 tors. eta vs tors. theta energy: -203.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2202.121409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.121409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.121409 (E_RNA) where: Base-Base interactions energy: -1464.289 where: short stacking energy: -643.409 Base-Backbone interact. energy: 0.020 local terms energy: -737.852141 where: bonds (distance) C4'-P energy: -153.939 bonds (distance) P-C4' energy: -142.387 flat angles C4'-P-C4' energy: -160.828 flat angles P-C4'-P energy: -108.428 tors. eta vs tors. theta energy: -172.271 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: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2009.681368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.681368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.681368 (E_RNA) where: Base-Base interactions energy: -1342.867 where: short stacking energy: -574.547 Base-Backbone interact. energy: -2.431 local terms energy: -664.383645 where: bonds (distance) C4'-P energy: -130.933 bonds (distance) P-C4' energy: -144.632 flat angles C4'-P-C4' energy: -148.761 flat angles P-C4'-P energy: -103.472 tors. eta vs tors. theta energy: -136.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1501.115534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.115534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.115534 (E_RNA) where: Base-Base interactions energy: -903.427 where: short stacking energy: -448.103 Base-Backbone interact. energy: -0.926 local terms energy: -596.762099 where: bonds (distance) C4'-P energy: -147.809 bonds (distance) P-C4' energy: -137.714 flat angles C4'-P-C4' energy: -128.980 flat angles P-C4'-P energy: -89.210 tors. eta vs tors. theta energy: -93.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1436.037271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.037271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.037271 (E_RNA) where: Base-Base interactions energy: -879.572 where: short stacking energy: -403.433 Base-Backbone interact. energy: -2.355 local terms energy: -554.110638 where: bonds (distance) C4'-P energy: -132.268 bonds (distance) P-C4' energy: -149.254 flat angles C4'-P-C4' energy: -119.197 flat angles P-C4'-P energy: -76.498 tors. eta vs tors. theta energy: -76.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1245.482365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.482365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.482365 (E_RNA) where: Base-Base interactions energy: -726.638 where: short stacking energy: -329.847 Base-Backbone interact. energy: -3.687 local terms energy: -515.157342 where: bonds (distance) C4'-P energy: -128.418 bonds (distance) P-C4' energy: -132.091 flat angles C4'-P-C4' energy: -132.266 flat angles P-C4'-P energy: -78.639 tors. eta vs tors. theta energy: -43.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -853.576967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.576967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.576967 (E_RNA) where: Base-Base interactions energy: -395.566 where: short stacking energy: -232.933 Base-Backbone interact. energy: 3.592 local terms energy: -461.602818 where: bonds (distance) C4'-P energy: -129.634 bonds (distance) P-C4' energy: -162.279 flat angles C4'-P-C4' energy: -125.631 flat angles P-C4'-P energy: -64.885 tors. eta vs tors. theta energy: 20.826 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: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2842.216810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.216810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.216810 (E_RNA) where: Base-Base interactions energy: -1927.342 where: short stacking energy: -826.858 Base-Backbone interact. energy: -3.489 local terms energy: -911.386031 where: bonds (distance) C4'-P energy: -167.382 bonds (distance) P-C4' energy: -166.576 flat angles C4'-P-C4' energy: -192.973 flat angles P-C4'-P energy: -129.088 tors. eta vs tors. theta energy: -255.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2763.233847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.233847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.233847 (E_RNA) where: Base-Base interactions energy: -1896.662 where: short stacking energy: -810.427 Base-Backbone interact. energy: -4.394 local terms energy: -862.177892 where: bonds (distance) C4'-P energy: -163.319 bonds (distance) P-C4' energy: -158.274 flat angles C4'-P-C4' energy: -187.161 flat angles P-C4'-P energy: -116.140 tors. eta vs tors. theta energy: -237.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2703.933297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.933297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.933297 (E_RNA) where: Base-Base interactions energy: -1846.749 where: short stacking energy: -756.126 Base-Backbone interact. energy: -2.521 local terms energy: -854.663881 where: bonds (distance) C4'-P energy: -147.454 bonds (distance) P-C4' energy: -168.051 flat angles C4'-P-C4' energy: -186.623 flat angles P-C4'-P energy: -126.548 tors. eta vs tors. theta energy: -225.988 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: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2439.655040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.655040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.655040 (E_RNA) where: Base-Base interactions energy: -1638.518 where: short stacking energy: -694.446 Base-Backbone interact. energy: -1.986 local terms energy: -799.151202 where: bonds (distance) C4'-P energy: -158.663 bonds (distance) P-C4' energy: -143.576 flat angles C4'-P-C4' energy: -173.355 flat angles P-C4'-P energy: -121.220 tors. eta vs tors. theta energy: -202.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2116.192538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.192538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.192538 (E_RNA) where: Base-Base interactions energy: -1418.415 where: short stacking energy: -595.503 Base-Backbone interact. energy: 3.409 local terms energy: -701.186581 where: bonds (distance) C4'-P energy: -124.307 bonds (distance) P-C4' energy: -161.363 flat angles C4'-P-C4' energy: -150.563 flat angles P-C4'-P energy: -104.908 tors. eta vs tors. theta energy: -160.046 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: 197 Temperature: 1.150000 Total energy: -1979.830392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.830392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.830392 (E_RNA) where: Base-Base interactions energy: -1309.683 where: short stacking energy: -542.259 Base-Backbone interact. energy: -2.377 local terms energy: -667.770912 where: bonds (distance) C4'-P energy: -136.507 bonds (distance) P-C4' energy: -144.008 flat angles C4'-P-C4' energy: -155.859 flat angles P-C4'-P energy: -100.559 tors. eta vs tors. theta energy: -130.838 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: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1432.662781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.662781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.662781 (E_RNA) where: Base-Base interactions energy: -853.034 where: short stacking energy: -421.654 Base-Backbone interact. energy: 4.157 local terms energy: -583.785635 where: bonds (distance) C4'-P energy: -127.784 bonds (distance) P-C4' energy: -136.531 flat angles C4'-P-C4' energy: -149.326 flat angles P-C4'-P energy: -82.498 tors. eta vs tors. theta energy: -87.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1425.598080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.598080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.598080 (E_RNA) where: Base-Base interactions energy: -827.722 where: short stacking energy: -403.506 Base-Backbone interact. energy: -4.438 local terms energy: -593.439070 where: bonds (distance) C4'-P energy: -126.208 bonds (distance) P-C4' energy: -164.118 flat angles C4'-P-C4' energy: -130.993 flat angles P-C4'-P energy: -97.599 tors. eta vs tors. theta energy: -74.521 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: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1243.011748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.011748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.011748 (E_RNA) where: Base-Base interactions energy: -714.772 where: short stacking energy: -358.038 Base-Backbone interact. energy: 1.377 local terms energy: -529.616651 where: bonds (distance) C4'-P energy: -121.271 bonds (distance) P-C4' energy: -143.993 flat angles C4'-P-C4' energy: -126.677 flat angles P-C4'-P energy: -87.952 tors. eta vs tors. theta energy: -49.724 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: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -865.622830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.622830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.622830 (E_RNA) where: Base-Base interactions energy: -409.549 where: short stacking energy: -237.969 Base-Backbone interact. energy: -3.390 local terms energy: -452.683778 where: bonds (distance) C4'-P energy: -117.618 bonds (distance) P-C4' energy: -130.874 flat angles C4'-P-C4' energy: -135.625 flat angles P-C4'-P energy: -52.246 tors. eta vs tors. theta energy: -16.321 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: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2868.622227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.622227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.622227 (E_RNA) where: Base-Base interactions energy: -1951.062 where: short stacking energy: -814.464 Base-Backbone interact. energy: -5.091 local terms energy: -912.469235 where: bonds (distance) C4'-P energy: -176.391 bonds (distance) P-C4' energy: -172.687 flat angles C4'-P-C4' energy: -196.536 flat angles P-C4'-P energy: -123.381 tors. eta vs tors. theta energy: -243.474 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: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2759.974662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.974662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.974662 (E_RNA) where: Base-Base interactions energy: -1874.780 where: short stacking energy: -812.413 Base-Backbone interact. energy: -1.899 local terms energy: -883.295634 where: bonds (distance) C4'-P energy: -157.943 bonds (distance) P-C4' energy: -154.255 flat angles C4'-P-C4' energy: -184.797 flat angles P-C4'-P energy: -122.522 tors. eta vs tors. theta energy: -263.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2714.791724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.791724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.791724 (E_RNA) where: Base-Base interactions energy: -1878.849 where: short stacking energy: -777.126 Base-Backbone interact. energy: -5.211 local terms energy: -830.731317 where: bonds (distance) C4'-P energy: -147.822 bonds (distance) P-C4' energy: -145.741 flat angles C4'-P-C4' energy: -178.781 flat angles P-C4'-P energy: -119.253 tors. eta vs tors. theta energy: -239.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2403.639992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.639992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.639992 (E_RNA) where: Base-Base interactions energy: -1624.430 where: short stacking energy: -701.376 Base-Backbone interact. energy: 2.067 local terms energy: -781.277061 where: bonds (distance) C4'-P energy: -135.985 bonds (distance) P-C4' energy: -145.801 flat angles C4'-P-C4' energy: -181.872 flat angles P-C4'-P energy: -100.966 tors. eta vs tors. theta energy: -216.653 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: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2138.328076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.328076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.328076 (E_RNA) where: Base-Base interactions energy: -1425.319 where: short stacking energy: -612.612 Base-Backbone interact. energy: -2.683 local terms energy: -710.326145 where: bonds (distance) C4'-P energy: -144.740 bonds (distance) P-C4' energy: -146.847 flat angles C4'-P-C4' energy: -161.683 flat angles P-C4'-P energy: -94.038 tors. eta vs tors. theta energy: -163.018 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: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2069.561249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.561249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.561249 (E_RNA) where: Base-Base interactions energy: -1359.165 where: short stacking energy: -609.476 Base-Backbone interact. energy: -3.787 local terms energy: -706.609465 where: bonds (distance) C4'-P energy: -155.240 bonds (distance) P-C4' energy: -134.905 flat angles C4'-P-C4' energy: -148.299 flat angles P-C4'-P energy: -102.660 tors. eta vs tors. theta energy: -165.506 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: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1476.640777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.640777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.640777 (E_RNA) where: Base-Base interactions energy: -869.675 where: short stacking energy: -398.794 Base-Backbone interact. energy: -2.798 local terms energy: -604.167720 where: bonds (distance) C4'-P energy: -137.034 bonds (distance) P-C4' energy: -157.144 flat angles C4'-P-C4' energy: -138.559 flat angles P-C4'-P energy: -90.826 tors. eta vs tors. theta energy: -80.606 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: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1280.400955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.400955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.400955 (E_RNA) where: Base-Base interactions energy: -735.567 where: short stacking energy: -356.911 Base-Backbone interact. energy: 3.357 local terms energy: -548.190377 where: bonds (distance) C4'-P energy: -142.643 bonds (distance) P-C4' energy: -159.014 flat angles C4'-P-C4' energy: -124.404 flat angles P-C4'-P energy: -63.004 tors. eta vs tors. theta energy: -59.125 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: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1274.101189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.101189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.101189 (E_RNA) where: Base-Base interactions energy: -740.848 where: short stacking energy: -355.737 Base-Backbone interact. energy: 1.158 local terms energy: -534.411081 where: bonds (distance) C4'-P energy: -125.930 bonds (distance) P-C4' energy: -126.129 flat angles C4'-P-C4' energy: -144.285 flat angles P-C4'-P energy: -81.282 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: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -877.167333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.167333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.167333 (E_RNA) where: Base-Base interactions energy: -414.641 where: short stacking energy: -230.274 Base-Backbone interact. energy: -4.704 local terms energy: -457.821458 where: bonds (distance) C4'-P energy: -139.143 bonds (distance) P-C4' energy: -157.545 flat angles C4'-P-C4' energy: -113.596 flat angles P-C4'-P energy: -47.570 tors. eta vs tors. theta energy: 0.033 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: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2878.511331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.511331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.511331 (E_RNA) where: Base-Base interactions energy: -1967.689 where: short stacking energy: -817.138 Base-Backbone interact. energy: -8.382 local terms energy: -902.440626 where: bonds (distance) C4'-P energy: -172.904 bonds (distance) P-C4' energy: -161.534 flat angles C4'-P-C4' energy: -186.149 flat angles P-C4'-P energy: -129.262 tors. eta vs tors. theta energy: -252.592 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: 199 Temperature: 0.950000 Total energy: -2777.822948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.822948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.822948 (E_RNA) where: Base-Base interactions energy: -1861.738 where: short stacking energy: -811.504 Base-Backbone interact. energy: -1.914 local terms energy: -914.171112 where: bonds (distance) C4'-P energy: -158.463 bonds (distance) P-C4' energy: -175.928 flat angles C4'-P-C4' energy: -199.984 flat angles P-C4'-P energy: -121.103 tors. eta vs tors. theta energy: -258.693 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: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2702.115069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.115069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.115069 (E_RNA) where: Base-Base interactions energy: -1844.117 where: short stacking energy: -783.181 Base-Backbone interact. energy: -1.558 local terms energy: -856.439998 where: bonds (distance) C4'-P energy: -158.155 bonds (distance) P-C4' energy: -159.107 flat angles C4'-P-C4' energy: -182.524 flat angles P-C4'-P energy: -124.327 tors. eta vs tors. theta energy: -232.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2394.344733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.344733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.344733 (E_RNA) where: Base-Base interactions energy: -1620.123 where: short stacking energy: -697.389 Base-Backbone interact. energy: -1.521 local terms energy: -772.700834 where: bonds (distance) C4'-P energy: -159.680 bonds (distance) P-C4' energy: -135.390 flat angles C4'-P-C4' energy: -181.329 flat angles P-C4'-P energy: -108.614 tors. eta vs tors. theta energy: -187.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2163.604320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.604320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.604320 (E_RNA) where: Base-Base interactions energy: -1426.267 where: short stacking energy: -614.810 Base-Backbone interact. energy: -0.068 local terms energy: -737.268761 where: bonds (distance) C4'-P energy: -137.931 bonds (distance) P-C4' energy: -162.459 flat angles C4'-P-C4' energy: -167.590 flat angles P-C4'-P energy: -94.338 tors. eta vs tors. theta energy: -174.951 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: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2039.507101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.507101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.507101 (E_RNA) where: Base-Base interactions energy: -1343.747 where: short stacking energy: -629.918 Base-Backbone interact. energy: -3.219 local terms energy: -692.541421 where: bonds (distance) C4'-P energy: -127.105 bonds (distance) P-C4' energy: -131.634 flat angles C4'-P-C4' energy: -160.619 flat angles P-C4'-P energy: -116.843 tors. eta vs tors. theta energy: -156.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1462.801626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.801626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.801626 (E_RNA) where: Base-Base interactions energy: -872.405 where: short stacking energy: -410.595 Base-Backbone interact. energy: -3.126 local terms energy: -587.270645 where: bonds (distance) C4'-P energy: -147.264 bonds (distance) P-C4' energy: -145.048 flat angles C4'-P-C4' energy: -144.786 flat angles P-C4'-P energy: -84.360 tors. eta vs tors. theta energy: -65.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1384.877198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.877198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.877198 (E_RNA) where: Base-Base interactions energy: -854.239 where: short stacking energy: -416.103 Base-Backbone interact. energy: -0.749 local terms energy: -529.888325 where: bonds (distance) C4'-P energy: -126.710 bonds (distance) P-C4' energy: -118.941 flat angles C4'-P-C4' energy: -143.733 flat angles P-C4'-P energy: -82.180 tors. eta vs tors. theta energy: -58.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1224.308694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.308694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.308694 (E_RNA) where: Base-Base interactions energy: -690.957 where: short stacking energy: -345.596 Base-Backbone interact. energy: 0.807 local terms energy: -534.158379 where: bonds (distance) C4'-P energy: -127.493 bonds (distance) P-C4' energy: -129.059 flat angles C4'-P-C4' energy: -146.666 flat angles P-C4'-P energy: -69.067 tors. eta vs tors. theta energy: -61.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -851.981160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.981160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.981160 (E_RNA) where: Base-Base interactions energy: -365.922 where: short stacking energy: -206.985 Base-Backbone interact. energy: -0.340 local terms energy: -485.719225 where: bonds (distance) C4'-P energy: -138.739 bonds (distance) P-C4' energy: -145.570 flat angles C4'-P-C4' energy: -124.053 flat angles P-C4'-P energy: -81.166 tors. eta vs tors. theta energy: 3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2800.537154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.537154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.537154 (E_RNA) where: Base-Base interactions energy: -1913.188 where: short stacking energy: -834.099 Base-Backbone interact. energy: -2.300 local terms energy: -885.048440 where: bonds (distance) C4'-P energy: -181.411 bonds (distance) P-C4' energy: -158.251 flat angles C4'-P-C4' energy: -178.568 flat angles P-C4'-P energy: -119.411 tors. eta vs tors. theta energy: -247.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2806.081095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.081095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.081095 (E_RNA) where: Base-Base interactions energy: -1914.907 where: short stacking energy: -794.461 Base-Backbone interact. energy: -1.810 local terms energy: -889.363582 where: bonds (distance) C4'-P energy: -162.420 bonds (distance) P-C4' energy: -168.385 flat angles C4'-P-C4' energy: -184.302 flat angles P-C4'-P energy: -129.436 tors. eta vs tors. theta energy: -244.821 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: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2633.200570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.200570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.200570 (E_RNA) where: Base-Base interactions energy: -1807.642 where: short stacking energy: -738.502 Base-Backbone interact. energy: -5.524 local terms energy: -820.034853 where: bonds (distance) C4'-P energy: -162.924 bonds (distance) P-C4' energy: -131.796 flat angles C4'-P-C4' energy: -186.484 flat angles P-C4'-P energy: -122.208 tors. eta vs tors. theta energy: -216.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2443.546461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.546461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.546461 (E_RNA) where: Base-Base interactions energy: -1646.085 where: short stacking energy: -728.212 Base-Backbone interact. energy: -1.733 local terms energy: -795.728610 where: bonds (distance) C4'-P energy: -147.865 bonds (distance) P-C4' energy: -150.956 flat angles C4'-P-C4' energy: -188.876 flat angles P-C4'-P energy: -110.927 tors. eta vs tors. theta energy: -197.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2167.682445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.682445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.682445 (E_RNA) where: Base-Base interactions energy: -1414.425 where: short stacking energy: -593.114 Base-Backbone interact. energy: -0.380 local terms energy: -752.877757 where: bonds (distance) C4'-P energy: -148.844 bonds (distance) P-C4' energy: -162.233 flat angles C4'-P-C4' energy: -170.172 flat angles P-C4'-P energy: -121.463 tors. eta vs tors. theta energy: -150.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1988.368565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.368565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.368565 (E_RNA) where: Base-Base interactions energy: -1316.471 where: short stacking energy: -606.518 Base-Backbone interact. energy: 0.708 local terms energy: -672.605592 where: bonds (distance) C4'-P energy: -138.742 bonds (distance) P-C4' energy: -141.836 flat angles C4'-P-C4' energy: -149.236 flat angles P-C4'-P energy: -79.880 tors. eta vs tors. theta energy: -162.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1518.860777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.860777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.860777 (E_RNA) where: Base-Base interactions energy: -890.069 where: short stacking energy: -435.012 Base-Backbone interact. energy: -0.981 local terms energy: -627.811186 where: bonds (distance) C4'-P energy: -146.259 bonds (distance) P-C4' energy: -160.592 flat angles C4'-P-C4' energy: -159.209 flat angles P-C4'-P energy: -72.301 tors. eta vs tors. theta energy: -89.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1418.196442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.196442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.196442 (E_RNA) where: Base-Base interactions energy: -827.469 where: short stacking energy: -394.550 Base-Backbone interact. energy: -3.918 local terms energy: -586.809450 where: bonds (distance) C4'-P energy: -129.678 bonds (distance) P-C4' energy: -151.725 flat angles C4'-P-C4' energy: -144.858 flat angles P-C4'-P energy: -89.123 tors. eta vs tors. theta energy: -71.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1179.802792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.802792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.802792 (E_RNA) where: Base-Base interactions energy: -686.074 where: short stacking energy: -348.930 Base-Backbone interact. energy: -2.052 local terms energy: -491.676571 where: bonds (distance) C4'-P energy: -100.828 bonds (distance) P-C4' energy: -143.614 flat angles C4'-P-C4' energy: -116.352 flat angles P-C4'-P energy: -85.969 tors. eta vs tors. theta energy: -44.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -906.550586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.550586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.550586 (E_RNA) where: Base-Base interactions energy: -435.426 where: short stacking energy: -252.080 Base-Backbone interact. energy: 4.551 local terms energy: -475.676164 where: bonds (distance) C4'-P energy: -135.496 bonds (distance) P-C4' energy: -136.646 flat angles C4'-P-C4' energy: -108.379 flat angles P-C4'-P energy: -81.971 tors. eta vs tors. theta energy: -13.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2875.016999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.016999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.016999 (E_RNA) where: Base-Base interactions energy: -1964.312 where: short stacking energy: -853.096 Base-Backbone interact. energy: -0.719 local terms energy: -909.986506 where: bonds (distance) C4'-P energy: -155.475 bonds (distance) P-C4' energy: -172.682 flat angles C4'-P-C4' energy: -196.470 flat angles P-C4'-P energy: -116.363 tors. eta vs tors. theta energy: -268.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2720.705872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.705872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.705872 (E_RNA) where: Base-Base interactions energy: -1847.364 where: short stacking energy: -780.083 Base-Backbone interact. energy: -8.382 local terms energy: -864.959551 where: bonds (distance) C4'-P energy: -162.222 bonds (distance) P-C4' energy: -172.446 flat angles C4'-P-C4' energy: -172.554 flat angles P-C4'-P energy: -123.948 tors. eta vs tors. theta energy: -233.790 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: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2731.068691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.068691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.068691 (E_RNA) where: Base-Base interactions energy: -1889.008 where: short stacking energy: -800.458 Base-Backbone interact. energy: -7.519 local terms energy: -834.541807 where: bonds (distance) C4'-P energy: -143.882 bonds (distance) P-C4' energy: -145.827 flat angles C4'-P-C4' energy: -177.892 flat angles P-C4'-P energy: -114.984 tors. eta vs tors. theta energy: -251.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2423.339685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.339685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.339685 (E_RNA) where: Base-Base interactions energy: -1636.828 where: short stacking energy: -681.434 Base-Backbone interact. energy: 2.426 local terms energy: -788.937545 where: bonds (distance) C4'-P energy: -134.714 bonds (distance) P-C4' energy: -167.440 flat angles C4'-P-C4' energy: -174.784 flat angles P-C4'-P energy: -109.142 tors. eta vs tors. theta energy: -202.858 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: 201 Temperature: 1.100000 Total energy: -2192.655615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.655615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.655615 (E_RNA) where: Base-Base interactions energy: -1454.962 where: short stacking energy: -611.945 Base-Backbone interact. energy: -1.574 local terms energy: -736.119224 where: bonds (distance) C4'-P energy: -153.556 bonds (distance) P-C4' energy: -142.573 flat angles C4'-P-C4' energy: -156.596 flat angles P-C4'-P energy: -115.006 tors. eta vs tors. theta energy: -168.389 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: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2006.571020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.571020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.571020 (E_RNA) where: Base-Base interactions energy: -1323.133 where: short stacking energy: -579.063 Base-Backbone interact. energy: -0.612 local terms energy: -682.826359 where: bonds (distance) C4'-P energy: -129.250 bonds (distance) P-C4' energy: -140.550 flat angles C4'-P-C4' energy: -157.643 flat angles P-C4'-P energy: -106.460 tors. eta vs tors. theta energy: -148.923 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: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1567.274874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.274874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.274874 (E_RNA) where: Base-Base interactions energy: -977.529 where: short stacking energy: -467.662 Base-Backbone interact. energy: -2.149 local terms energy: -587.596591 where: bonds (distance) C4'-P energy: -149.168 bonds (distance) P-C4' energy: -149.512 flat angles C4'-P-C4' energy: -134.565 flat angles P-C4'-P energy: -71.963 tors. eta vs tors. theta energy: -82.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1367.534414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.534414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.534414 (E_RNA) where: Base-Base interactions energy: -772.614 where: short stacking energy: -356.636 Base-Backbone interact. energy: -0.020 local terms energy: -594.900043 where: bonds (distance) C4'-P energy: -136.444 bonds (distance) P-C4' energy: -150.664 flat angles C4'-P-C4' energy: -153.693 flat angles P-C4'-P energy: -102.325 tors. eta vs tors. theta energy: -51.774 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: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1232.950926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.950926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.950926 (E_RNA) where: Base-Base interactions energy: -721.449 where: short stacking energy: -337.843 Base-Backbone interact. energy: 3.145 local terms energy: -514.646544 where: bonds (distance) C4'-P energy: -136.105 bonds (distance) P-C4' energy: -135.575 flat angles C4'-P-C4' energy: -123.043 flat angles P-C4'-P energy: -78.176 tors. eta vs tors. theta energy: -41.747 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: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -849.078078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.078078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.078078 (E_RNA) where: Base-Base interactions energy: -400.504 where: short stacking energy: -234.102 Base-Backbone interact. energy: -4.036 local terms energy: -444.537748 where: bonds (distance) C4'-P energy: -124.945 bonds (distance) P-C4' energy: -155.176 flat angles C4'-P-C4' energy: -128.745 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: 19.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2860.530468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.530468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.530468 (E_RNA) where: Base-Base interactions energy: -1971.444 where: short stacking energy: -863.249 Base-Backbone interact. energy: -1.512 local terms energy: -887.574491 where: bonds (distance) C4'-P energy: -170.694 bonds (distance) P-C4' energy: -149.318 flat angles C4'-P-C4' energy: -185.766 flat angles P-C4'-P energy: -125.770 tors. eta vs tors. theta energy: -256.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2736.851119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.851119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.851119 (E_RNA) where: Base-Base interactions energy: -1889.744 where: short stacking energy: -774.923 Base-Backbone interact. energy: -2.575 local terms energy: -844.532348 where: bonds (distance) C4'-P energy: -153.371 bonds (distance) P-C4' energy: -167.153 flat angles C4'-P-C4' energy: -167.914 flat angles P-C4'-P energy: -111.407 tors. eta vs tors. theta energy: -244.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2696.367962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.367962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.367962 (E_RNA) where: Base-Base interactions energy: -1832.901 where: short stacking energy: -785.075 Base-Backbone interact. energy: 2.765 local terms energy: -866.231425 where: bonds (distance) C4'-P energy: -155.943 bonds (distance) P-C4' energy: -158.710 flat angles C4'-P-C4' energy: -189.340 flat angles P-C4'-P energy: -110.370 tors. eta vs tors. theta energy: -251.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2420.371241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.371241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.371241 (E_RNA) where: Base-Base interactions energy: -1625.857 where: short stacking energy: -696.943 Base-Backbone interact. energy: 0.816 local terms energy: -795.330431 where: bonds (distance) C4'-P energy: -146.126 bonds (distance) P-C4' energy: -159.075 flat angles C4'-P-C4' energy: -175.884 flat angles P-C4'-P energy: -107.635 tors. eta vs tors. theta energy: -206.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2179.503427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.503427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.503427 (E_RNA) where: Base-Base interactions energy: -1446.973 where: short stacking energy: -626.916 Base-Backbone interact. energy: -1.793 local terms energy: -730.736665 where: bonds (distance) C4'-P energy: -155.492 bonds (distance) P-C4' energy: -153.111 flat angles C4'-P-C4' energy: -147.402 flat angles P-C4'-P energy: -114.172 tors. eta vs tors. theta energy: -160.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2025.558003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.558003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.558003 (E_RNA) where: Base-Base interactions energy: -1329.611 where: short stacking energy: -598.803 Base-Backbone interact. energy: -2.835 local terms energy: -693.112508 where: bonds (distance) C4'-P energy: -124.610 bonds (distance) P-C4' energy: -141.448 flat angles C4'-P-C4' energy: -155.548 flat angles P-C4'-P energy: -103.226 tors. eta vs tors. theta energy: -168.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1470.163616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.163616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.163616 (E_RNA) where: Base-Base interactions energy: -872.429 where: short stacking energy: -395.460 Base-Backbone interact. energy: -0.431 local terms energy: -597.302941 where: bonds (distance) C4'-P energy: -152.202 bonds (distance) P-C4' energy: -169.522 flat angles C4'-P-C4' energy: -131.407 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -67.369 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: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1397.275482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.275482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.275482 (E_RNA) where: Base-Base interactions energy: -830.277 where: short stacking energy: -386.521 Base-Backbone interact. energy: 0.065 local terms energy: -567.064396 where: bonds (distance) C4'-P energy: -149.991 bonds (distance) P-C4' energy: -132.924 flat angles C4'-P-C4' energy: -126.076 flat angles P-C4'-P energy: -80.000 tors. eta vs tors. theta energy: -78.073 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: 9, replica: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1299.849795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.849795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.849795 (E_RNA) where: Base-Base interactions energy: -758.047 where: short stacking energy: -360.656 Base-Backbone interact. energy: 0.316 local terms energy: -542.118296 where: bonds (distance) C4'-P energy: -126.461 bonds (distance) P-C4' energy: -144.315 flat angles C4'-P-C4' energy: -131.489 flat angles P-C4'-P energy: -95.364 tors. eta vs tors. theta energy: -44.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -880.056841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.056841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.056841 (E_RNA) where: Base-Base interactions energy: -433.893 where: short stacking energy: -242.517 Base-Backbone interact. energy: 5.666 local terms energy: -451.829936 where: bonds (distance) C4'-P energy: -132.351 bonds (distance) P-C4' energy: -132.440 flat angles C4'-P-C4' energy: -123.135 flat angles P-C4'-P energy: -75.784 tors. eta vs tors. theta energy: 11.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2856.906316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.906316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.906316 (E_RNA) where: Base-Base interactions energy: -1961.100 where: short stacking energy: -854.167 Base-Backbone interact. energy: -4.151 local terms energy: -891.655745 where: bonds (distance) C4'-P energy: -163.499 bonds (distance) P-C4' energy: -167.285 flat angles C4'-P-C4' energy: -182.974 flat angles P-C4'-P energy: -107.011 tors. eta vs tors. theta energy: -270.887 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: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2770.184143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.184143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.184143 (E_RNA) where: Base-Base interactions energy: -1890.348 where: short stacking energy: -776.250 Base-Backbone interact. energy: -5.882 local terms energy: -873.953880 where: bonds (distance) C4'-P energy: -160.533 bonds (distance) P-C4' energy: -163.235 flat angles C4'-P-C4' energy: -182.690 flat angles P-C4'-P energy: -111.841 tors. eta vs tors. theta energy: -255.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2701.269834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.269834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.269834 (E_RNA) where: Base-Base interactions energy: -1863.313 where: short stacking energy: -783.692 Base-Backbone interact. energy: -4.345 local terms energy: -833.612647 where: bonds (distance) C4'-P energy: -148.268 bonds (distance) P-C4' energy: -154.577 flat angles C4'-P-C4' energy: -176.038 flat angles P-C4'-P energy: -117.370 tors. eta vs tors. theta energy: -237.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2376.856049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.856049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.856049 (E_RNA) where: Base-Base interactions energy: -1589.717 where: short stacking energy: -656.537 Base-Backbone interact. energy: -4.570 local terms energy: -782.569287 where: bonds (distance) C4'-P energy: -154.193 bonds (distance) P-C4' energy: -176.140 flat angles C4'-P-C4' energy: -161.894 flat angles P-C4'-P energy: -115.676 tors. eta vs tors. theta energy: -174.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2225.148318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.148318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.148318 (E_RNA) where: Base-Base interactions energy: -1476.318 where: short stacking energy: -614.602 Base-Backbone interact. energy: -1.562 local terms energy: -747.268554 where: bonds (distance) C4'-P energy: -145.714 bonds (distance) P-C4' energy: -151.861 flat angles C4'-P-C4' energy: -169.773 flat angles P-C4'-P energy: -114.861 tors. eta vs tors. theta energy: -165.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2070.764111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.764111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.764111 (E_RNA) where: Base-Base interactions energy: -1380.980 where: short stacking energy: -577.842 Base-Backbone interact. energy: -4.158 local terms energy: -685.625589 where: bonds (distance) C4'-P energy: -156.691 bonds (distance) P-C4' energy: -145.889 flat angles C4'-P-C4' energy: -139.162 flat angles P-C4'-P energy: -88.831 tors. eta vs tors. theta energy: -155.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1497.575242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.575242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.575242 (E_RNA) where: Base-Base interactions energy: -890.462 where: short stacking energy: -407.645 Base-Backbone interact. energy: -4.147 local terms energy: -602.965981 where: bonds (distance) C4'-P energy: -127.736 bonds (distance) P-C4' energy: -144.871 flat angles C4'-P-C4' energy: -152.455 flat angles P-C4'-P energy: -98.951 tors. eta vs tors. theta energy: -78.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1400.197440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.197440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.197440 (E_RNA) where: Base-Base interactions energy: -852.532 where: short stacking energy: -398.805 Base-Backbone interact. energy: 1.468 local terms energy: -549.133244 where: bonds (distance) C4'-P energy: -127.793 bonds (distance) P-C4' energy: -130.673 flat angles C4'-P-C4' energy: -125.875 flat angles P-C4'-P energy: -92.035 tors. eta vs tors. theta energy: -72.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1293.366945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.366945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.366945 (E_RNA) where: Base-Base interactions energy: -736.104 where: short stacking energy: -382.017 Base-Backbone interact. energy: 0.204 local terms energy: -557.467750 where: bonds (distance) C4'-P energy: -128.926 bonds (distance) P-C4' energy: -142.859 flat angles C4'-P-C4' energy: -132.993 flat angles P-C4'-P energy: -79.998 tors. eta vs tors. theta energy: -72.692 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: 203 Temperature: 1.350000 Total energy: -879.009443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.009443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.009443 (E_RNA) where: Base-Base interactions energy: -428.639 where: short stacking energy: -221.204 Base-Backbone interact. energy: -2.698 local terms energy: -447.672684 where: bonds (distance) C4'-P energy: -141.518 bonds (distance) P-C4' energy: -134.142 flat angles C4'-P-C4' energy: -127.347 flat angles P-C4'-P energy: -53.924 tors. eta vs tors. theta energy: 9.259 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: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2888.975950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.975950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.975950 (E_RNA) where: Base-Base interactions energy: -1965.574 where: short stacking energy: -872.413 Base-Backbone interact. energy: -1.488 local terms energy: -921.913702 where: bonds (distance) C4'-P energy: -160.493 bonds (distance) P-C4' energy: -177.310 flat angles C4'-P-C4' energy: -190.150 flat angles P-C4'-P energy: -125.542 tors. eta vs tors. theta energy: -268.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2755.630354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.630354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.630354 (E_RNA) where: Base-Base interactions energy: -1901.876 where: short stacking energy: -797.921 Base-Backbone interact. energy: -5.124 local terms energy: -848.631161 where: bonds (distance) C4'-P energy: -155.251 bonds (distance) P-C4' energy: -153.246 flat angles C4'-P-C4' energy: -176.301 flat angles P-C4'-P energy: -107.686 tors. eta vs tors. theta energy: -256.148 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: 3, replica: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2686.239949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.239949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.239949 (E_RNA) where: Base-Base interactions energy: -1832.945 where: short stacking energy: -795.167 Base-Backbone interact. energy: -2.395 local terms energy: -850.900287 where: bonds (distance) C4'-P energy: -160.104 bonds (distance) P-C4' energy: -158.258 flat angles C4'-P-C4' energy: -178.288 flat angles P-C4'-P energy: -125.968 tors. eta vs tors. theta energy: -228.281 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: 9 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2349.630145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.630145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.630145 (E_RNA) where: Base-Base interactions energy: -1597.645 where: short stacking energy: -656.499 Base-Backbone interact. energy: 0.035 local terms energy: -752.020026 where: bonds (distance) C4'-P energy: -145.218 bonds (distance) P-C4' energy: -165.996 flat angles C4'-P-C4' energy: -170.380 flat angles P-C4'-P energy: -94.175 tors. eta vs tors. theta energy: -176.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2144.230981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.230981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.230981 (E_RNA) where: Base-Base interactions energy: -1428.969 where: short stacking energy: -606.805 Base-Backbone interact. energy: -4.753 local terms energy: -710.508549 where: bonds (distance) C4'-P energy: -148.793 bonds (distance) P-C4' energy: -140.772 flat angles C4'-P-C4' energy: -145.880 flat angles P-C4'-P energy: -98.332 tors. eta vs tors. theta energy: -176.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2044.554051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.554051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.554051 (E_RNA) where: Base-Base interactions energy: -1337.383 where: short stacking energy: -581.316 Base-Backbone interact. energy: -4.046 local terms energy: -703.125893 where: bonds (distance) C4'-P energy: -150.982 bonds (distance) P-C4' energy: -153.517 flat angles C4'-P-C4' energy: -152.057 flat angles P-C4'-P energy: -93.567 tors. eta vs tors. theta energy: -153.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1542.847449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.847449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.847449 (E_RNA) where: Base-Base interactions energy: -948.969 where: short stacking energy: -436.541 Base-Backbone interact. energy: 5.168 local terms energy: -599.045964 where: bonds (distance) C4'-P energy: -125.043 bonds (distance) P-C4' energy: -149.719 flat angles C4'-P-C4' energy: -141.809 flat angles P-C4'-P energy: -99.603 tors. eta vs tors. theta energy: -82.872 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: 8, replica: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1353.131833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.131833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.131833 (E_RNA) where: Base-Base interactions energy: -826.128 where: short stacking energy: -394.718 Base-Backbone interact. energy: 3.264 local terms energy: -530.268043 where: bonds (distance) C4'-P energy: -139.810 bonds (distance) P-C4' energy: -139.018 flat angles C4'-P-C4' energy: -118.579 flat angles P-C4'-P energy: -80.522 tors. eta vs tors. theta energy: -52.339 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: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1218.606396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.606396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.606396 (E_RNA) where: Base-Base interactions energy: -707.580 where: short stacking energy: -342.334 Base-Backbone interact. energy: 3.538 local terms energy: -514.564374 where: bonds (distance) C4'-P energy: -137.543 bonds (distance) P-C4' energy: -135.930 flat angles C4'-P-C4' energy: -110.403 flat angles P-C4'-P energy: -79.404 tors. eta vs tors. theta energy: -51.285 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: 204 Temperature: 1.350000 Total energy: -822.298982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.298982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.298982 (E_RNA) where: Base-Base interactions energy: -402.760 where: short stacking energy: -217.595 Base-Backbone interact. energy: 4.636 local terms energy: -424.175531 where: bonds (distance) C4'-P energy: -124.075 bonds (distance) P-C4' energy: -134.920 flat angles C4'-P-C4' energy: -102.005 flat angles P-C4'-P energy: -90.592 tors. eta vs tors. theta energy: 27.416 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: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2890.008099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.008099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.008099 (E_RNA) where: Base-Base interactions energy: -1960.043 where: short stacking energy: -835.692 Base-Backbone interact. energy: -3.984 local terms energy: -925.981667 where: bonds (distance) C4'-P energy: -156.828 bonds (distance) P-C4' energy: -176.780 flat angles C4'-P-C4' energy: -192.869 flat angles P-C4'-P energy: -138.439 tors. eta vs tors. theta energy: -261.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2774.356593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.356593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.356593 (E_RNA) where: Base-Base interactions energy: -1886.732 where: short stacking energy: -782.519 Base-Backbone interact. energy: -3.718 local terms energy: -883.906197 where: bonds (distance) C4'-P energy: -178.331 bonds (distance) P-C4' energy: -161.856 flat angles C4'-P-C4' energy: -185.152 flat angles P-C4'-P energy: -113.192 tors. eta vs tors. theta energy: -245.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2682.414089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.414089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.414089 (E_RNA) where: Base-Base interactions energy: -1821.422 where: short stacking energy: -742.219 Base-Backbone interact. energy: -4.461 local terms energy: -856.531695 where: bonds (distance) C4'-P energy: -172.935 bonds (distance) P-C4' energy: -168.549 flat angles C4'-P-C4' energy: -177.941 flat angles P-C4'-P energy: -110.648 tors. eta vs tors. theta energy: -226.459 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: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2393.160340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.160340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.160340 (E_RNA) where: Base-Base interactions energy: -1579.718 where: short stacking energy: -664.939 Base-Backbone interact. energy: -1.990 local terms energy: -811.452776 where: bonds (distance) C4'-P energy: -156.438 bonds (distance) P-C4' energy: -157.431 flat angles C4'-P-C4' energy: -179.276 flat angles P-C4'-P energy: -119.291 tors. eta vs tors. theta energy: -199.017 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: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2176.295547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.295547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.295547 (E_RNA) where: Base-Base interactions energy: -1449.924 where: short stacking energy: -599.136 Base-Backbone interact. energy: -1.606 local terms energy: -724.765444 where: bonds (distance) C4'-P energy: -156.564 bonds (distance) P-C4' energy: -163.314 flat angles C4'-P-C4' energy: -146.065 flat angles P-C4'-P energy: -97.245 tors. eta vs tors. theta energy: -161.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2008.615392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.615392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.615392 (E_RNA) where: Base-Base interactions energy: -1276.916 where: short stacking energy: -596.820 Base-Backbone interact. energy: -0.404 local terms energy: -731.295244 where: bonds (distance) C4'-P energy: -141.298 bonds (distance) P-C4' energy: -153.491 flat angles C4'-P-C4' energy: -163.644 flat angles P-C4'-P energy: -115.073 tors. eta vs tors. theta energy: -157.789 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: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1600.045892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.045892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.045892 (E_RNA) where: Base-Base interactions energy: -1015.035 where: short stacking energy: -454.044 Base-Backbone interact. energy: 0.328 local terms energy: -585.339341 where: bonds (distance) C4'-P energy: -148.551 bonds (distance) P-C4' energy: -140.768 flat angles C4'-P-C4' energy: -126.257 flat angles P-C4'-P energy: -99.595 tors. eta vs tors. theta energy: -70.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1364.206730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.206730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.206730 (E_RNA) where: Base-Base interactions energy: -788.329 where: short stacking energy: -377.887 Base-Backbone interact. energy: 0.753 local terms energy: -576.630351 where: bonds (distance) C4'-P energy: -124.617 bonds (distance) P-C4' energy: -160.985 flat angles C4'-P-C4' energy: -139.035 flat angles P-C4'-P energy: -83.053 tors. eta vs tors. theta energy: -68.941 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: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1137.216420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.216420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.216420 (E_RNA) where: Base-Base interactions energy: -645.097 where: short stacking energy: -329.444 Base-Backbone interact. energy: 2.382 local terms energy: -494.501538 where: bonds (distance) C4'-P energy: -139.766 bonds (distance) P-C4' energy: -137.890 flat angles C4'-P-C4' energy: -114.073 flat angles P-C4'-P energy: -64.449 tors. eta vs tors. theta energy: -38.324 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: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -833.932883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.932883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.932883 (E_RNA) where: Base-Base interactions energy: -394.392 where: short stacking energy: -243.106 Base-Backbone interact. energy: -2.082 local terms energy: -437.457987 where: bonds (distance) C4'-P energy: -121.765 bonds (distance) P-C4' energy: -132.367 flat angles C4'-P-C4' energy: -110.784 flat angles P-C4'-P energy: -60.966 tors. eta vs tors. theta energy: -11.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2873.588764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.588764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.588764 (E_RNA) where: Base-Base interactions energy: -1952.279 where: short stacking energy: -868.790 Base-Backbone interact. energy: -0.950 local terms energy: -920.360046 where: bonds (distance) C4'-P energy: -172.559 bonds (distance) P-C4' energy: -157.712 flat angles C4'-P-C4' energy: -194.126 flat angles P-C4'-P energy: -131.092 tors. eta vs tors. theta energy: -264.871 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: 1 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2815.422450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.422450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.422450 (E_RNA) where: Base-Base interactions energy: -1931.878 where: short stacking energy: -841.186 Base-Backbone interact. energy: -3.003 local terms energy: -880.541555 where: bonds (distance) C4'-P energy: -164.364 bonds (distance) P-C4' energy: -160.027 flat angles C4'-P-C4' energy: -193.034 flat angles P-C4'-P energy: -121.020 tors. eta vs tors. theta energy: -242.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2672.462698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.462698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.462698 (E_RNA) where: Base-Base interactions energy: -1818.136 where: short stacking energy: -748.131 Base-Backbone interact. energy: -6.609 local terms energy: -847.717967 where: bonds (distance) C4'-P energy: -155.734 bonds (distance) P-C4' energy: -153.859 flat angles C4'-P-C4' energy: -184.530 flat angles P-C4'-P energy: -117.768 tors. eta vs tors. theta energy: -235.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2398.643113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.643113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.643113 (E_RNA) where: Base-Base interactions energy: -1604.217 where: short stacking energy: -689.469 Base-Backbone interact. energy: 3.775 local terms energy: -798.201496 where: bonds (distance) C4'-P energy: -147.115 bonds (distance) P-C4' energy: -165.351 flat angles C4'-P-C4' energy: -167.549 flat angles P-C4'-P energy: -122.864 tors. eta vs tors. theta energy: -195.322 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: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2232.345613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.345613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.345613 (E_RNA) where: Base-Base interactions energy: -1464.390 where: short stacking energy: -638.879 Base-Backbone interact. energy: -4.073 local terms energy: -763.882581 where: bonds (distance) C4'-P energy: -146.951 bonds (distance) P-C4' energy: -162.193 flat angles C4'-P-C4' energy: -168.931 flat angles P-C4'-P energy: -110.675 tors. eta vs tors. theta energy: -175.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1974.067078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.067078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.067078 (E_RNA) where: Base-Base interactions energy: -1284.398 where: short stacking energy: -576.333 Base-Backbone interact. energy: -5.528 local terms energy: -684.141718 where: bonds (distance) C4'-P energy: -135.954 bonds (distance) P-C4' energy: -150.565 flat angles C4'-P-C4' energy: -143.118 flat angles P-C4'-P energy: -112.874 tors. eta vs tors. theta energy: -141.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1491.550917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.550917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.550917 (E_RNA) where: Base-Base interactions energy: -871.494 where: short stacking energy: -428.944 Base-Backbone interact. energy: -1.708 local terms energy: -618.348919 where: bonds (distance) C4'-P energy: -158.645 bonds (distance) P-C4' energy: -136.315 flat angles C4'-P-C4' energy: -150.446 flat angles P-C4'-P energy: -91.312 tors. eta vs tors. theta energy: -81.631 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: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1389.308963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.308963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.308963 (E_RNA) where: Base-Base interactions energy: -837.522 where: short stacking energy: -383.242 Base-Backbone interact. energy: 3.440 local terms energy: -555.227413 where: bonds (distance) C4'-P energy: -128.237 bonds (distance) P-C4' energy: -141.421 flat angles C4'-P-C4' energy: -154.182 flat angles P-C4'-P energy: -83.300 tors. eta vs tors. theta energy: -48.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1156.553564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.553564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.553564 (E_RNA) where: Base-Base interactions energy: -644.011 where: short stacking energy: -288.784 Base-Backbone interact. energy: 3.115 local terms energy: -515.657027 where: bonds (distance) C4'-P energy: -135.430 bonds (distance) P-C4' energy: -141.288 flat angles C4'-P-C4' energy: -139.032 flat angles P-C4'-P energy: -77.962 tors. eta vs tors. theta energy: -21.945 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: 206 Temperature: 1.350000 Total energy: -882.515945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.515945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.515945 (E_RNA) where: Base-Base interactions energy: -433.324 where: short stacking energy: -242.106 Base-Backbone interact. energy: 3.186 local terms energy: -452.377773 where: bonds (distance) C4'-P energy: -137.463 bonds (distance) P-C4' energy: -148.834 flat angles C4'-P-C4' energy: -111.648 flat angles P-C4'-P energy: -61.981 tors. eta vs tors. theta energy: 7.548 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: 1, replica: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2826.208821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.208821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.208821 (E_RNA) where: Base-Base interactions energy: -1938.546 where: short stacking energy: -823.389 Base-Backbone interact. energy: -0.989 local terms energy: -886.673601 where: bonds (distance) C4'-P energy: -156.723 bonds (distance) P-C4' energy: -158.463 flat angles C4'-P-C4' energy: -191.232 flat angles P-C4'-P energy: -131.958 tors. eta vs tors. theta energy: -248.299 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: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2809.229872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.229872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.229872 (E_RNA) where: Base-Base interactions energy: -1913.950 where: short stacking energy: -815.608 Base-Backbone interact. energy: -3.518 local terms energy: -891.761780 where: bonds (distance) C4'-P energy: -175.328 bonds (distance) P-C4' energy: -169.726 flat angles C4'-P-C4' energy: -195.527 flat angles P-C4'-P energy: -108.927 tors. eta vs tors. theta energy: -242.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2635.596163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.596163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.596163 (E_RNA) where: Base-Base interactions energy: -1757.880 where: short stacking energy: -744.220 Base-Backbone interact. energy: -2.475 local terms energy: -875.241468 where: bonds (distance) C4'-P energy: -168.451 bonds (distance) P-C4' energy: -169.600 flat angles C4'-P-C4' energy: -182.301 flat angles P-C4'-P energy: -116.416 tors. eta vs tors. theta energy: -238.474 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: 207 Temperature: 1.050000 Total energy: -2420.852565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.852565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.852565 (E_RNA) where: Base-Base interactions energy: -1639.416 where: short stacking energy: -731.608 Base-Backbone interact. energy: 0.414 local terms energy: -781.851056 where: bonds (distance) C4'-P energy: -133.014 bonds (distance) P-C4' energy: -163.543 flat angles C4'-P-C4' energy: -163.207 flat angles P-C4'-P energy: -108.105 tors. eta vs tors. theta energy: -213.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2184.240885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.240885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.240885 (E_RNA) where: Base-Base interactions energy: -1462.377 where: short stacking energy: -632.608 Base-Backbone interact. energy: -3.058 local terms energy: -718.806083 where: bonds (distance) C4'-P energy: -128.890 bonds (distance) P-C4' energy: -149.327 flat angles C4'-P-C4' energy: -154.945 flat angles P-C4'-P energy: -110.886 tors. eta vs tors. theta energy: -174.758 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: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1908.228459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.228459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.228459 (E_RNA) where: Base-Base interactions energy: -1254.122 where: short stacking energy: -557.148 Base-Backbone interact. energy: -3.009 local terms energy: -651.097380 where: bonds (distance) C4'-P energy: -131.364 bonds (distance) P-C4' energy: -161.810 flat angles C4'-P-C4' energy: -151.906 flat angles P-C4'-P energy: -86.757 tors. eta vs tors. theta energy: -119.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1497.236358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.236358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.236358 (E_RNA) where: Base-Base interactions energy: -899.169 where: short stacking energy: -406.905 Base-Backbone interact. energy: -0.948 local terms energy: -597.119707 where: bonds (distance) C4'-P energy: -151.918 bonds (distance) P-C4' energy: -151.937 flat angles C4'-P-C4' energy: -138.683 flat angles P-C4'-P energy: -80.623 tors. eta vs tors. theta energy: -73.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1431.244847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.244847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.244847 (E_RNA) where: Base-Base interactions energy: -861.624 where: short stacking energy: -399.495 Base-Backbone interact. energy: 1.781 local terms energy: -571.402242 where: bonds (distance) C4'-P energy: -132.364 bonds (distance) P-C4' energy: -149.396 flat angles C4'-P-C4' energy: -140.796 flat angles P-C4'-P energy: -92.998 tors. eta vs tors. theta energy: -55.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1145.496284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.496284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.496284 (E_RNA) where: Base-Base interactions energy: -624.319 where: short stacking energy: -316.938 Base-Backbone interact. energy: 1.869 local terms energy: -523.046066 where: bonds (distance) C4'-P energy: -147.425 bonds (distance) P-C4' energy: -146.359 flat angles C4'-P-C4' energy: -120.519 flat angles P-C4'-P energy: -80.479 tors. eta vs tors. theta energy: -28.265 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: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -867.170107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.170107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.170107 (E_RNA) where: Base-Base interactions energy: -457.893 where: short stacking energy: -243.443 Base-Backbone interact. energy: 0.611 local terms energy: -409.887444 where: bonds (distance) C4'-P energy: -114.761 bonds (distance) P-C4' energy: -138.455 flat angles C4'-P-C4' energy: -93.931 flat angles P-C4'-P energy: -66.811 tors. eta vs tors. theta energy: 4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2862.479776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.479776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.479776 (E_RNA) where: Base-Base interactions energy: -1933.771 where: short stacking energy: -829.266 Base-Backbone interact. energy: -3.001 local terms energy: -925.708338 where: bonds (distance) C4'-P energy: -171.825 bonds (distance) P-C4' energy: -167.285 flat angles C4'-P-C4' energy: -196.210 flat angles P-C4'-P energy: -134.971 tors. eta vs tors. theta energy: -255.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2839.942985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.942985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.942985 (E_RNA) where: Base-Base interactions energy: -1908.964 where: short stacking energy: -831.060 Base-Backbone interact. energy: -4.894 local terms energy: -926.085785 where: bonds (distance) C4'-P energy: -159.304 bonds (distance) P-C4' energy: -168.723 flat angles C4'-P-C4' energy: -200.451 flat angles P-C4'-P energy: -135.846 tors. eta vs tors. theta energy: -261.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2644.739002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.739002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.739002 (E_RNA) where: Base-Base interactions energy: -1798.587 where: short stacking energy: -769.841 Base-Backbone interact. energy: -7.755 local terms energy: -838.396446 where: bonds (distance) C4'-P energy: -154.824 bonds (distance) P-C4' energy: -163.808 flat angles C4'-P-C4' energy: -171.929 flat angles P-C4'-P energy: -108.137 tors. eta vs tors. theta energy: -239.698 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: 9 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2467.410093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.410093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.410093 (E_RNA) where: Base-Base interactions energy: -1671.219 where: short stacking energy: -701.058 Base-Backbone interact. energy: -6.047 local terms energy: -790.143979 where: bonds (distance) C4'-P energy: -139.088 bonds (distance) P-C4' energy: -172.315 flat angles C4'-P-C4' energy: -161.360 flat angles P-C4'-P energy: -98.344 tors. eta vs tors. theta energy: -219.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2219.989592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.989592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.989592 (E_RNA) where: Base-Base interactions energy: -1491.403 where: short stacking energy: -632.778 Base-Backbone interact. energy: -7.757 local terms energy: -720.829333 where: bonds (distance) C4'-P energy: -144.343 bonds (distance) P-C4' energy: -146.075 flat angles C4'-P-C4' energy: -146.018 flat angles P-C4'-P energy: -117.791 tors. eta vs tors. theta energy: -166.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1884.925223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.925223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.925223 (E_RNA) where: Base-Base interactions energy: -1203.496 where: short stacking energy: -558.564 Base-Backbone interact. energy: -1.255 local terms energy: -680.173874 where: bonds (distance) C4'-P energy: -157.849 bonds (distance) P-C4' energy: -135.597 flat angles C4'-P-C4' energy: -137.406 flat angles P-C4'-P energy: -113.191 tors. eta vs tors. theta energy: -136.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1543.433367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.433367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.433367 (E_RNA) where: Base-Base interactions energy: -949.815 where: short stacking energy: -452.573 Base-Backbone interact. energy: -0.863 local terms energy: -592.755048 where: bonds (distance) C4'-P energy: -119.169 bonds (distance) P-C4' energy: -144.978 flat angles C4'-P-C4' energy: -166.520 flat angles P-C4'-P energy: -82.445 tors. eta vs tors. theta energy: -79.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1409.160677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.160677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.160677 (E_RNA) where: Base-Base interactions energy: -794.067 where: short stacking energy: -380.754 Base-Backbone interact. energy: -1.300 local terms energy: -613.793514 where: bonds (distance) C4'-P energy: -133.805 bonds (distance) P-C4' energy: -164.940 flat angles C4'-P-C4' energy: -132.502 flat angles P-C4'-P energy: -108.666 tors. eta vs tors. theta energy: -73.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1167.519080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.519080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.519080 (E_RNA) where: Base-Base interactions energy: -641.753 where: short stacking energy: -331.141 Base-Backbone interact. energy: -2.043 local terms energy: -523.723736 where: bonds (distance) C4'-P energy: -132.477 bonds (distance) P-C4' energy: -138.565 flat angles C4'-P-C4' energy: -118.057 flat angles P-C4'-P energy: -92.742 tors. eta vs tors. theta energy: -41.883 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: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -882.438963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.438963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.438963 (E_RNA) where: Base-Base interactions energy: -460.491 where: short stacking energy: -243.085 Base-Backbone interact. energy: 0.796 local terms energy: -422.743465 where: bonds (distance) C4'-P energy: -135.984 bonds (distance) P-C4' energy: -132.850 flat angles C4'-P-C4' energy: -114.957 flat angles P-C4'-P energy: -59.920 tors. eta vs tors. theta energy: 20.967 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: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2875.823132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.823132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.823132 (E_RNA) where: Base-Base interactions energy: -1969.715 where: short stacking energy: -867.480 Base-Backbone interact. energy: -2.954 local terms energy: -903.153327 where: bonds (distance) C4'-P energy: -163.383 bonds (distance) P-C4' energy: -179.005 flat angles C4'-P-C4' energy: -171.505 flat angles P-C4'-P energy: -121.265 tors. eta vs tors. theta energy: -267.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2764.566474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.566474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.566474 (E_RNA) where: Base-Base interactions energy: -1882.556 where: short stacking energy: -773.138 Base-Backbone interact. energy: -0.836 local terms energy: -881.173969 where: bonds (distance) C4'-P energy: -162.872 bonds (distance) P-C4' energy: -164.154 flat angles C4'-P-C4' energy: -190.988 flat angles P-C4'-P energy: -139.432 tors. eta vs tors. theta energy: -223.728 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: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2643.770131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.770131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.770131 (E_RNA) where: Base-Base interactions energy: -1816.964 where: short stacking energy: -759.863 Base-Backbone interact. energy: 1.728 local terms energy: -828.534739 where: bonds (distance) C4'-P energy: -159.706 bonds (distance) P-C4' energy: -148.638 flat angles C4'-P-C4' energy: -183.911 flat angles P-C4'-P energy: -119.260 tors. eta vs tors. theta energy: -217.019 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: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2456.415920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.415920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.415920 (E_RNA) where: Base-Base interactions energy: -1643.136 where: short stacking energy: -715.406 Base-Backbone interact. energy: -2.235 local terms energy: -811.044273 where: bonds (distance) C4'-P energy: -155.390 bonds (distance) P-C4' energy: -160.557 flat angles C4'-P-C4' energy: -184.044 flat angles P-C4'-P energy: -104.259 tors. eta vs tors. theta energy: -206.795 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: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2251.116692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.116692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.116692 (E_RNA) where: Base-Base interactions energy: -1530.718 where: short stacking energy: -624.885 Base-Backbone interact. energy: -0.946 local terms energy: -719.452566 where: bonds (distance) C4'-P energy: -137.215 bonds (distance) P-C4' energy: -140.395 flat angles C4'-P-C4' energy: -175.399 flat angles P-C4'-P energy: -99.101 tors. eta vs tors. theta energy: -167.342 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: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1810.684325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.684325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.684325 (E_RNA) where: Base-Base interactions energy: -1168.696 where: short stacking energy: -501.145 Base-Backbone interact. energy: -5.953 local terms energy: -636.034910 where: bonds (distance) C4'-P energy: -140.385 bonds (distance) P-C4' energy: -141.531 flat angles C4'-P-C4' energy: -161.019 flat angles P-C4'-P energy: -86.949 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: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1489.447335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.447335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.447335 (E_RNA) where: Base-Base interactions energy: -921.404 where: short stacking energy: -413.706 Base-Backbone interact. energy: 1.509 local terms energy: -569.552027 where: bonds (distance) C4'-P energy: -147.450 bonds (distance) P-C4' energy: -147.223 flat angles C4'-P-C4' energy: -133.889 flat angles P-C4'-P energy: -79.664 tors. eta vs tors. theta energy: -61.326 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: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1434.484490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.484490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.484490 (E_RNA) where: Base-Base interactions energy: -839.649 where: short stacking energy: -405.768 Base-Backbone interact. energy: -2.522 local terms energy: -592.313492 where: bonds (distance) C4'-P energy: -142.399 bonds (distance) P-C4' energy: -152.716 flat angles C4'-P-C4' energy: -131.611 flat angles P-C4'-P energy: -84.700 tors. eta vs tors. theta energy: -80.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1100.295703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.295703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.295703 (E_RNA) where: Base-Base interactions energy: -624.451 where: short stacking energy: -303.190 Base-Backbone interact. energy: 2.239 local terms energy: -478.084239 where: bonds (distance) C4'-P energy: -137.614 bonds (distance) P-C4' energy: -134.213 flat angles C4'-P-C4' energy: -130.550 flat angles P-C4'-P energy: -52.178 tors. eta vs tors. theta energy: -23.529 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: 209 Temperature: 1.350000 Total energy: -838.390293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.390293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.390293 (E_RNA) where: Base-Base interactions energy: -391.871 where: short stacking energy: -231.594 Base-Backbone interact. energy: 5.333 local terms energy: -451.852030 where: bonds (distance) C4'-P energy: -125.201 bonds (distance) P-C4' energy: -157.791 flat angles C4'-P-C4' energy: -103.232 flat angles P-C4'-P energy: -65.394 tors. eta vs tors. theta energy: -0.235 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: 1, replica: 8 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2887.938829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.938829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.938829 (E_RNA) where: Base-Base interactions energy: -1987.407 where: short stacking energy: -873.018 Base-Backbone interact. energy: -3.457 local terms energy: -897.074768 where: bonds (distance) C4'-P energy: -162.269 bonds (distance) P-C4' energy: -162.277 flat angles C4'-P-C4' energy: -200.441 flat angles P-C4'-P energy: -117.696 tors. eta vs tors. theta energy: -254.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2814.534330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.534330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.534330 (E_RNA) where: Base-Base interactions energy: -1931.845 where: short stacking energy: -818.944 Base-Backbone interact. energy: -2.212 local terms energy: -880.477329 where: bonds (distance) C4'-P energy: -142.008 bonds (distance) P-C4' energy: -150.893 flat angles C4'-P-C4' energy: -188.739 flat angles P-C4'-P energy: -139.010 tors. eta vs tors. theta energy: -259.827 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: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2680.704030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.704030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.704030 (E_RNA) where: Base-Base interactions energy: -1828.607 where: short stacking energy: -773.042 Base-Backbone interact. energy: 0.711 local terms energy: -852.807665 where: bonds (distance) C4'-P energy: -152.051 bonds (distance) P-C4' energy: -162.638 flat angles C4'-P-C4' energy: -181.287 flat angles P-C4'-P energy: -124.124 tors. eta vs tors. theta energy: -232.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2469.408115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.408115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.408115 (E_RNA) where: Base-Base interactions energy: -1664.672 where: short stacking energy: -751.750 Base-Backbone interact. energy: -4.347 local terms energy: -800.389579 where: bonds (distance) C4'-P energy: -154.148 bonds (distance) P-C4' energy: -138.154 flat angles C4'-P-C4' energy: -167.936 flat angles P-C4'-P energy: -122.991 tors. eta vs tors. theta energy: -217.162 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: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2308.948666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.948666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.948666 (E_RNA) where: Base-Base interactions energy: -1557.322 where: short stacking energy: -658.354 Base-Backbone interact. energy: -3.632 local terms energy: -747.994590 where: bonds (distance) C4'-P energy: -152.294 bonds (distance) P-C4' energy: -138.239 flat angles C4'-P-C4' energy: -169.896 flat angles P-C4'-P energy: -111.416 tors. eta vs tors. theta energy: -176.150 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: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1928.389641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.389641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.389641 (E_RNA) where: Base-Base interactions energy: -1238.825 where: short stacking energy: -532.832 Base-Backbone interact. energy: -3.240 local terms energy: -686.324723 where: bonds (distance) C4'-P energy: -149.150 bonds (distance) P-C4' energy: -141.625 flat angles C4'-P-C4' energy: -149.215 flat angles P-C4'-P energy: -114.310 tors. eta vs tors. theta energy: -132.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1481.398676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.398676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.398676 (E_RNA) where: Base-Base interactions energy: -881.832 where: short stacking energy: -446.130 Base-Backbone interact. energy: 4.714 local terms energy: -604.281141 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -142.935 flat angles C4'-P-C4' energy: -153.550 flat angles P-C4'-P energy: -97.513 tors. eta vs tors. theta energy: -82.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1334.211174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.211174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.211174 (E_RNA) where: Base-Base interactions energy: -815.612 where: short stacking energy: -361.114 Base-Backbone interact. energy: 2.349 local terms energy: -520.948670 where: bonds (distance) C4'-P energy: -127.125 bonds (distance) P-C4' energy: -155.002 flat angles C4'-P-C4' energy: -125.032 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -40.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1088.124310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.124310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.124310 (E_RNA) where: Base-Base interactions energy: -610.565 where: short stacking energy: -292.576 Base-Backbone interact. energy: 9.169 local terms energy: -486.728202 where: bonds (distance) C4'-P energy: -121.834 bonds (distance) P-C4' energy: -144.090 flat angles C4'-P-C4' energy: -124.101 flat angles P-C4'-P energy: -76.357 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: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -875.824799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.824799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.824799 (E_RNA) where: Base-Base interactions energy: -428.004 where: short stacking energy: -232.844 Base-Backbone interact. energy: -0.056 local terms energy: -447.765196 where: bonds (distance) C4'-P energy: -104.476 bonds (distance) P-C4' energy: -143.286 flat angles C4'-P-C4' energy: -128.158 flat angles P-C4'-P energy: -74.460 tors. eta vs tors. theta energy: 2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2896.817451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.817451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.817451 (E_RNA) where: Base-Base interactions energy: -1982.401 where: short stacking energy: -874.647 Base-Backbone interact. energy: -2.098 local terms energy: -912.318784 where: bonds (distance) C4'-P energy: -158.901 bonds (distance) P-C4' energy: -173.837 flat angles C4'-P-C4' energy: -193.215 flat angles P-C4'-P energy: -127.283 tors. eta vs tors. theta energy: -259.083 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: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2826.331389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.331389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.331389 (E_RNA) where: Base-Base interactions energy: -1963.171 where: short stacking energy: -815.266 Base-Backbone interact. energy: -1.802 local terms energy: -861.359130 where: bonds (distance) C4'-P energy: -166.748 bonds (distance) P-C4' energy: -157.494 flat angles C4'-P-C4' energy: -184.792 flat angles P-C4'-P energy: -103.703 tors. eta vs tors. theta energy: -248.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2604.364619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.364619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.364619 (E_RNA) where: Base-Base interactions energy: -1773.165 where: short stacking energy: -743.226 Base-Backbone interact. energy: -0.094 local terms energy: -831.105675 where: bonds (distance) C4'-P energy: -162.726 bonds (distance) P-C4' energy: -162.340 flat angles C4'-P-C4' energy: -178.538 flat angles P-C4'-P energy: -114.543 tors. eta vs tors. theta energy: -212.958 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: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2403.041115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.041115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.041115 (E_RNA) where: Base-Base interactions energy: -1637.318 where: short stacking energy: -714.032 Base-Backbone interact. energy: -3.333 local terms energy: -762.390215 where: bonds (distance) C4'-P energy: -143.296 bonds (distance) P-C4' energy: -145.481 flat angles C4'-P-C4' energy: -166.897 flat angles P-C4'-P energy: -111.773 tors. eta vs tors. theta energy: -194.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2266.943308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.943308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.943308 (E_RNA) where: Base-Base interactions energy: -1502.168 where: short stacking energy: -652.737 Base-Backbone interact. energy: -5.296 local terms energy: -759.479547 where: bonds (distance) C4'-P energy: -148.208 bonds (distance) P-C4' energy: -151.258 flat angles C4'-P-C4' energy: -173.260 flat angles P-C4'-P energy: -106.682 tors. eta vs tors. theta energy: -180.071 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: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1865.005584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.005584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.005584 (E_RNA) where: Base-Base interactions energy: -1213.245 where: short stacking energy: -525.646 Base-Backbone interact. energy: 0.534 local terms energy: -652.294387 where: bonds (distance) C4'-P energy: -123.914 bonds (distance) P-C4' energy: -141.934 flat angles C4'-P-C4' energy: -168.896 flat angles P-C4'-P energy: -88.959 tors. eta vs tors. theta energy: -128.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1438.609740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.609740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.609740 (E_RNA) where: Base-Base interactions energy: -881.904 where: short stacking energy: -420.248 Base-Backbone interact. energy: -2.811 local terms energy: -553.894715 where: bonds (distance) C4'-P energy: -141.554 bonds (distance) P-C4' energy: -132.550 flat angles C4'-P-C4' energy: -127.918 flat angles P-C4'-P energy: -82.941 tors. eta vs tors. theta energy: -68.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1305.354159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.354159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.354159 (E_RNA) where: Base-Base interactions energy: -752.583 where: short stacking energy: -368.649 Base-Backbone interact. energy: 3.703 local terms energy: -556.474581 where: bonds (distance) C4'-P energy: -136.270 bonds (distance) P-C4' energy: -149.969 flat angles C4'-P-C4' energy: -145.170 flat angles P-C4'-P energy: -81.154 tors. eta vs tors. theta energy: -43.911 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: 9, replica: 4 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -996.980380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.980380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.980380 (E_RNA) where: Base-Base interactions energy: -549.806 where: short stacking energy: -279.300 Base-Backbone interact. energy: 4.188 local terms energy: -451.362859 where: bonds (distance) C4'-P energy: -140.813 bonds (distance) P-C4' energy: -132.174 flat angles C4'-P-C4' energy: -105.826 flat angles P-C4'-P energy: -59.353 tors. eta vs tors. theta energy: -13.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -836.283762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.283762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.283762 (E_RNA) where: Base-Base interactions energy: -411.923 where: short stacking energy: -217.112 Base-Backbone interact. energy: 1.872 local terms energy: -426.232724 where: bonds (distance) C4'-P energy: -158.162 bonds (distance) P-C4' energy: -120.889 flat angles C4'-P-C4' energy: -109.104 flat angles P-C4'-P energy: -61.026 tors. eta vs tors. theta energy: 22.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2878.952552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.952552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.952552 (E_RNA) where: Base-Base interactions energy: -1957.919 where: short stacking energy: -845.370 Base-Backbone interact. energy: 2.285 local terms energy: -923.318668 where: bonds (distance) C4'-P energy: -161.936 bonds (distance) P-C4' energy: -168.305 flat angles C4'-P-C4' energy: -194.899 flat angles P-C4'-P energy: -136.105 tors. eta vs tors. theta energy: -262.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2833.151255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.151255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.151255 (E_RNA) where: Base-Base interactions energy: -1933.300 where: short stacking energy: -829.213 Base-Backbone interact. energy: -5.704 local terms energy: -894.147489 where: bonds (distance) C4'-P energy: -162.572 bonds (distance) P-C4' energy: -157.104 flat angles C4'-P-C4' energy: -187.685 flat angles P-C4'-P energy: -130.078 tors. eta vs tors. theta energy: -256.708 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: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2659.453055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.453055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.453055 (E_RNA) where: Base-Base interactions energy: -1830.748 where: short stacking energy: -775.494 Base-Backbone interact. energy: 0.601 local terms energy: -829.305951 where: bonds (distance) C4'-P energy: -151.001 bonds (distance) P-C4' energy: -163.406 flat angles C4'-P-C4' energy: -178.820 flat angles P-C4'-P energy: -116.512 tors. eta vs tors. theta energy: -219.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2423.566070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.566070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.566070 (E_RNA) where: Base-Base interactions energy: -1630.899 where: short stacking energy: -715.404 Base-Backbone interact. energy: -1.923 local terms energy: -790.743662 where: bonds (distance) C4'-P energy: -148.399 bonds (distance) P-C4' energy: -150.793 flat angles C4'-P-C4' energy: -164.858 flat angles P-C4'-P energy: -105.364 tors. eta vs tors. theta energy: -221.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2219.076794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.076794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.076794 (E_RNA) where: Base-Base interactions energy: -1483.531 where: short stacking energy: -654.913 Base-Backbone interact. energy: -2.059 local terms energy: -733.486948 where: bonds (distance) C4'-P energy: -164.022 bonds (distance) P-C4' energy: -125.068 flat angles C4'-P-C4' energy: -176.468 flat angles P-C4'-P energy: -98.572 tors. eta vs tors. theta energy: -169.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1851.682209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.682209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.682209 (E_RNA) where: Base-Base interactions energy: -1190.599 where: short stacking energy: -512.442 Base-Backbone interact. energy: -4.751 local terms energy: -656.332017 where: bonds (distance) C4'-P energy: -145.004 bonds (distance) P-C4' energy: -161.253 flat angles C4'-P-C4' energy: -148.269 flat angles P-C4'-P energy: -85.053 tors. eta vs tors. theta energy: -116.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1443.566125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.566125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.566125 (E_RNA) where: Base-Base interactions energy: -860.461 where: short stacking energy: -406.519 Base-Backbone interact. energy: -0.575 local terms energy: -582.530409 where: bonds (distance) C4'-P energy: -131.216 bonds (distance) P-C4' energy: -155.878 flat angles C4'-P-C4' energy: -141.299 flat angles P-C4'-P energy: -91.980 tors. eta vs tors. theta energy: -62.157 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: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1333.116263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.116263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.116263 (E_RNA) where: Base-Base interactions energy: -789.433 where: short stacking energy: -392.140 Base-Backbone interact. energy: -1.777 local terms energy: -541.905370 where: bonds (distance) C4'-P energy: -138.663 bonds (distance) P-C4' energy: -120.031 flat angles C4'-P-C4' energy: -135.967 flat angles P-C4'-P energy: -79.365 tors. eta vs tors. theta energy: -67.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1037.755811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.755811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.755811 (E_RNA) where: Base-Base interactions energy: -550.936 where: short stacking energy: -278.100 Base-Backbone interact. energy: -0.587 local terms energy: -486.232563 where: bonds (distance) C4'-P energy: -132.774 bonds (distance) P-C4' energy: -154.680 flat angles C4'-P-C4' energy: -130.669 flat angles P-C4'-P energy: -54.536 tors. eta vs tors. theta energy: -13.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -808.074845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.074845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.074845 (E_RNA) where: Base-Base interactions energy: -376.474 where: short stacking energy: -243.608 Base-Backbone interact. energy: 0.295 local terms energy: -431.895133 where: bonds (distance) C4'-P energy: -113.629 bonds (distance) P-C4' energy: -136.494 flat angles C4'-P-C4' energy: -115.590 flat angles P-C4'-P energy: -72.541 tors. eta vs tors. theta energy: 6.360 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: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2885.517031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.517031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.517031 (E_RNA) where: Base-Base interactions energy: -1950.236 where: short stacking energy: -863.863 Base-Backbone interact. energy: -3.173 local terms energy: -932.108054 where: bonds (distance) C4'-P energy: -162.340 bonds (distance) P-C4' energy: -181.184 flat angles C4'-P-C4' energy: -188.842 flat angles P-C4'-P energy: -128.632 tors. eta vs tors. theta energy: -271.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2819.572589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.572589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.572589 (E_RNA) where: Base-Base interactions energy: -1931.090 where: short stacking energy: -835.588 Base-Backbone interact. energy: -3.300 local terms energy: -885.182129 where: bonds (distance) C4'-P energy: -162.130 bonds (distance) P-C4' energy: -152.069 flat angles C4'-P-C4' energy: -191.604 flat angles P-C4'-P energy: -128.628 tors. eta vs tors. theta energy: -250.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2674.411685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.411685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.411685 (E_RNA) where: Base-Base interactions energy: -1802.062 where: short stacking energy: -761.563 Base-Backbone interact. energy: -3.177 local terms energy: -869.172905 where: bonds (distance) C4'-P energy: -164.995 bonds (distance) P-C4' energy: -173.838 flat angles C4'-P-C4' energy: -181.933 flat angles P-C4'-P energy: -125.614 tors. eta vs tors. theta energy: -222.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2364.930956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.930956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.930956 (E_RNA) where: Base-Base interactions energy: -1563.563 where: short stacking energy: -653.031 Base-Backbone interact. energy: -3.135 local terms energy: -798.233166 where: bonds (distance) C4'-P energy: -146.216 bonds (distance) P-C4' energy: -160.948 flat angles C4'-P-C4' energy: -179.105 flat angles P-C4'-P energy: -107.752 tors. eta vs tors. theta energy: -204.213 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: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2222.099734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.099734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.099734 (E_RNA) where: Base-Base interactions energy: -1502.131 where: short stacking energy: -638.878 Base-Backbone interact. energy: 2.173 local terms energy: -722.141457 where: bonds (distance) C4'-P energy: -137.987 bonds (distance) P-C4' energy: -148.553 flat angles C4'-P-C4' energy: -155.320 flat angles P-C4'-P energy: -106.178 tors. eta vs tors. theta energy: -174.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1869.128427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.128427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.128427 (E_RNA) where: Base-Base interactions energy: -1202.572 where: short stacking energy: -528.924 Base-Backbone interact. energy: -3.926 local terms energy: -662.631113 where: bonds (distance) C4'-P energy: -137.462 bonds (distance) P-C4' energy: -155.891 flat angles C4'-P-C4' energy: -170.406 flat angles P-C4'-P energy: -67.435 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: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1478.158690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.158690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.158690 (E_RNA) where: Base-Base interactions energy: -877.769 where: short stacking energy: -411.810 Base-Backbone interact. energy: -1.632 local terms energy: -598.757443 where: bonds (distance) C4'-P energy: -145.847 bonds (distance) P-C4' energy: -148.370 flat angles C4'-P-C4' energy: -152.856 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -76.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1319.995793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.995793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.995793 (E_RNA) where: Base-Base interactions energy: -769.197 where: short stacking energy: -412.435 Base-Backbone interact. energy: 0.841 local terms energy: -551.639789 where: bonds (distance) C4'-P energy: -121.291 bonds (distance) P-C4' energy: -141.597 flat angles C4'-P-C4' energy: -156.064 flat angles P-C4'-P energy: -73.937 tors. eta vs tors. theta energy: -58.750 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: 4 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1067.224590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.224590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.224590 (E_RNA) where: Base-Base interactions energy: -575.507 where: short stacking energy: -285.818 Base-Backbone interact. energy: -6.409 local terms energy: -485.308983 where: bonds (distance) C4'-P energy: -139.518 bonds (distance) P-C4' energy: -136.766 flat angles C4'-P-C4' energy: -112.168 flat angles P-C4'-P energy: -73.159 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: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -832.752754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.752754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.752754 (E_RNA) where: Base-Base interactions energy: -378.262 where: short stacking energy: -219.331 Base-Backbone interact. energy: 8.496 local terms energy: -462.986770 where: bonds (distance) C4'-P energy: -131.610 bonds (distance) P-C4' energy: -160.647 flat angles C4'-P-C4' energy: -115.915 flat angles P-C4'-P energy: -61.606 tors. eta vs tors. theta energy: 6.793 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: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2919.809438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.809438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.809438 (E_RNA) where: Base-Base interactions energy: -2002.729 where: short stacking energy: -879.690 Base-Backbone interact. energy: -7.107 local terms energy: -909.972559 where: bonds (distance) C4'-P energy: -157.770 bonds (distance) P-C4' energy: -172.047 flat angles C4'-P-C4' energy: -194.609 flat angles P-C4'-P energy: -119.739 tors. eta vs tors. theta energy: -265.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2798.975406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.975406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.975406 (E_RNA) where: Base-Base interactions energy: -1940.774 where: short stacking energy: -840.367 Base-Backbone interact. energy: -0.343 local terms energy: -857.858284 where: bonds (distance) C4'-P energy: -155.098 bonds (distance) P-C4' energy: -148.961 flat angles C4'-P-C4' energy: -183.268 flat angles P-C4'-P energy: -115.363 tors. eta vs tors. theta energy: -255.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2648.453324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.453324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.453324 (E_RNA) where: Base-Base interactions energy: -1814.096 where: short stacking energy: -771.013 Base-Backbone interact. energy: 0.222 local terms energy: -834.579628 where: bonds (distance) C4'-P energy: -166.279 bonds (distance) P-C4' energy: -155.304 flat angles C4'-P-C4' energy: -172.661 flat angles P-C4'-P energy: -117.407 tors. eta vs tors. theta energy: -222.928 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: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2379.051791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.051791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.051791 (E_RNA) where: Base-Base interactions energy: -1605.965 where: short stacking energy: -688.842 Base-Backbone interact. energy: -3.230 local terms energy: -769.856660 where: bonds (distance) C4'-P energy: -156.730 bonds (distance) P-C4' energy: -155.444 flat angles C4'-P-C4' energy: -162.035 flat angles P-C4'-P energy: -85.936 tors. eta vs tors. theta energy: -209.711 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: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2206.415458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.415458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.415458 (E_RNA) where: Base-Base interactions energy: -1502.220 where: short stacking energy: -643.251 Base-Backbone interact. energy: 2.135 local terms energy: -706.330142 where: bonds (distance) C4'-P energy: -145.434 bonds (distance) P-C4' energy: -158.204 flat angles C4'-P-C4' energy: -148.788 flat angles P-C4'-P energy: -76.850 tors. eta vs tors. theta energy: -177.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1976.645597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.645597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.645597 (E_RNA) where: Base-Base interactions energy: -1301.646 where: short stacking energy: -568.180 Base-Backbone interact. energy: 0.420 local terms energy: -675.418853 where: bonds (distance) C4'-P energy: -147.448 bonds (distance) P-C4' energy: -125.200 flat angles C4'-P-C4' energy: -160.509 flat angles P-C4'-P energy: -99.555 tors. eta vs tors. theta energy: -142.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1364.654146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.654146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.654146 (E_RNA) where: Base-Base interactions energy: -808.070 where: short stacking energy: -404.027 Base-Backbone interact. energy: 0.050 local terms energy: -556.634795 where: bonds (distance) C4'-P energy: -138.945 bonds (distance) P-C4' energy: -127.807 flat angles C4'-P-C4' energy: -145.731 flat angles P-C4'-P energy: -85.506 tors. eta vs tors. theta energy: -58.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1406.513759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.513759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.513759 (E_RNA) where: Base-Base interactions energy: -856.507 where: short stacking energy: -406.662 Base-Backbone interact. energy: 3.482 local terms energy: -553.489183 where: bonds (distance) C4'-P energy: -123.263 bonds (distance) P-C4' energy: -138.373 flat angles C4'-P-C4' energy: -150.508 flat angles P-C4'-P energy: -76.104 tors. eta vs tors. theta energy: -65.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -985.321125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.321125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.321125 (E_RNA) where: Base-Base interactions energy: -532.565 where: short stacking energy: -275.521 Base-Backbone interact. energy: 3.420 local terms energy: -456.176474 where: bonds (distance) C4'-P energy: -129.149 bonds (distance) P-C4' energy: -131.751 flat angles C4'-P-C4' energy: -106.854 flat angles P-C4'-P energy: -78.426 tors. eta vs tors. theta energy: -9.997 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: 214 Temperature: 1.350000 Total energy: -802.853967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.853967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.853967 (E_RNA) where: Base-Base interactions energy: -373.682 where: short stacking energy: -202.651 Base-Backbone interact. energy: 6.087 local terms energy: -435.259055 where: bonds (distance) C4'-P energy: -132.205 bonds (distance) P-C4' energy: -120.951 flat angles C4'-P-C4' energy: -122.607 flat angles P-C4'-P energy: -80.882 tors. eta vs tors. theta energy: 21.385 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: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2882.585507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.585507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.585507 (E_RNA) where: Base-Base interactions energy: -1954.290 where: short stacking energy: -869.020 Base-Backbone interact. energy: -0.384 local terms energy: -927.910825 where: bonds (distance) C4'-P energy: -168.475 bonds (distance) P-C4' energy: -162.405 flat angles C4'-P-C4' energy: -190.660 flat angles P-C4'-P energy: -145.695 tors. eta vs tors. theta energy: -260.676 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: 2, replica: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2761.773127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.773127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.773127 (E_RNA) where: Base-Base interactions energy: -1880.831 where: short stacking energy: -813.262 Base-Backbone interact. energy: 0.497 local terms energy: -881.438516 where: bonds (distance) C4'-P energy: -153.939 bonds (distance) P-C4' energy: -176.837 flat angles C4'-P-C4' energy: -182.920 flat angles P-C4'-P energy: -106.471 tors. eta vs tors. theta energy: -261.271 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: 3, replica: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2664.905562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.905562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.905562 (E_RNA) where: Base-Base interactions energy: -1788.846 where: short stacking energy: -735.797 Base-Backbone interact. energy: -4.117 local terms energy: -871.942572 where: bonds (distance) C4'-P energy: -165.552 bonds (distance) P-C4' energy: -161.952 flat angles C4'-P-C4' energy: -182.208 flat angles P-C4'-P energy: -134.270 tors. eta vs tors. theta energy: -227.960 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: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2386.947233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.947233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.947233 (E_RNA) where: Base-Base interactions energy: -1570.460 where: short stacking energy: -699.408 Base-Backbone interact. energy: -0.844 local terms energy: -815.642719 where: bonds (distance) C4'-P energy: -171.991 bonds (distance) P-C4' energy: -168.979 flat angles C4'-P-C4' energy: -164.607 flat angles P-C4'-P energy: -118.600 tors. eta vs tors. theta energy: -191.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2194.473431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.473431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.473431 (E_RNA) where: Base-Base interactions energy: -1449.557 where: short stacking energy: -624.736 Base-Backbone interact. energy: -0.249 local terms energy: -744.667499 where: bonds (distance) C4'-P energy: -147.762 bonds (distance) P-C4' energy: -153.140 flat angles C4'-P-C4' energy: -164.052 flat angles P-C4'-P energy: -113.536 tors. eta vs tors. theta energy: -166.177 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: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2052.363839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.363839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.363839 (E_RNA) where: Base-Base interactions energy: -1335.499 where: short stacking energy: -566.032 Base-Backbone interact. energy: -4.058 local terms energy: -712.807097 where: bonds (distance) C4'-P energy: -120.038 bonds (distance) P-C4' energy: -154.711 flat angles C4'-P-C4' energy: -181.839 flat angles P-C4'-P energy: -100.272 tors. eta vs tors. theta energy: -155.947 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: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1426.550556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.550556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.550556 (E_RNA) where: Base-Base interactions energy: -829.078 where: short stacking energy: -387.408 Base-Backbone interact. energy: 3.144 local terms energy: -600.616781 where: bonds (distance) C4'-P energy: -128.333 bonds (distance) P-C4' energy: -164.164 flat angles C4'-P-C4' energy: -158.455 flat angles P-C4'-P energy: -90.671 tors. eta vs tors. theta energy: -58.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1373.816042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.816042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.816042 (E_RNA) where: Base-Base interactions energy: -796.411 where: short stacking energy: -378.517 Base-Backbone interact. energy: 0.982 local terms energy: -578.387095 where: bonds (distance) C4'-P energy: -144.223 bonds (distance) P-C4' energy: -137.411 flat angles C4'-P-C4' energy: -148.901 flat angles P-C4'-P energy: -92.117 tors. eta vs tors. theta energy: -55.735 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: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -858.000574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.000574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.000574 (E_RNA) where: Base-Base interactions energy: -381.315 where: short stacking energy: -239.241 Base-Backbone interact. energy: -0.039 local terms energy: -476.646247 where: bonds (distance) C4'-P energy: -146.097 bonds (distance) P-C4' energy: -130.533 flat angles C4'-P-C4' energy: -129.829 flat angles P-C4'-P energy: -74.399 tors. eta vs tors. theta energy: 4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -875.113316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.113316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.113316 (E_RNA) where: Base-Base interactions energy: -451.101 where: short stacking energy: -247.566 Base-Backbone interact. energy: 3.181 local terms energy: -427.193422 where: bonds (distance) C4'-P energy: -109.415 bonds (distance) P-C4' energy: -144.788 flat angles C4'-P-C4' energy: -117.241 flat angles P-C4'-P energy: -62.970 tors. eta vs tors. theta energy: 7.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2861.603946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.603946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.603946 (E_RNA) where: Base-Base interactions energy: -1970.431 where: short stacking energy: -843.836 Base-Backbone interact. energy: -2.084 local terms energy: -889.088296 where: bonds (distance) C4'-P energy: -161.748 bonds (distance) P-C4' energy: -161.146 flat angles C4'-P-C4' energy: -200.440 flat angles P-C4'-P energy: -123.292 tors. eta vs tors. theta energy: -242.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2786.023296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.023296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.023296 (E_RNA) where: Base-Base interactions energy: -1909.890 where: short stacking energy: -804.772 Base-Backbone interact. energy: -5.275 local terms energy: -870.858398 where: bonds (distance) C4'-P energy: -151.915 bonds (distance) P-C4' energy: -161.525 flat angles C4'-P-C4' energy: -195.434 flat angles P-C4'-P energy: -118.754 tors. eta vs tors. theta energy: -243.230 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: 3, replica: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2690.558244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.558244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.558244 (E_RNA) where: Base-Base interactions energy: -1851.498 where: short stacking energy: -779.815 Base-Backbone interact. energy: -2.049 local terms energy: -837.012215 where: bonds (distance) C4'-P energy: -158.069 bonds (distance) P-C4' energy: -141.750 flat angles C4'-P-C4' energy: -186.289 flat angles P-C4'-P energy: -123.681 tors. eta vs tors. theta energy: -227.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2398.482882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.482882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.482882 (E_RNA) where: Base-Base interactions energy: -1595.835 where: short stacking energy: -708.589 Base-Backbone interact. energy: -2.190 local terms energy: -800.457866 where: bonds (distance) C4'-P energy: -153.597 bonds (distance) P-C4' energy: -143.865 flat angles C4'-P-C4' energy: -185.888 flat angles P-C4'-P energy: -111.221 tors. eta vs tors. theta energy: -205.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2257.299711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.299711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.299711 (E_RNA) where: Base-Base interactions energy: -1489.898 where: short stacking energy: -658.256 Base-Backbone interact. energy: -3.224 local terms energy: -764.177734 where: bonds (distance) C4'-P energy: -147.620 bonds (distance) P-C4' energy: -158.971 flat angles C4'-P-C4' energy: -176.662 flat angles P-C4'-P energy: -99.095 tors. eta vs tors. theta energy: -181.831 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: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2048.665247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.665247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.665247 (E_RNA) where: Base-Base interactions energy: -1340.541 where: short stacking energy: -588.128 Base-Backbone interact. energy: 2.213 local terms energy: -710.337200 where: bonds (distance) C4'-P energy: -146.041 bonds (distance) P-C4' energy: -142.675 flat angles C4'-P-C4' energy: -159.623 flat angles P-C4'-P energy: -84.735 tors. eta vs tors. theta energy: -177.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1485.508351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.508351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.508351 (E_RNA) where: Base-Base interactions energy: -902.365 where: short stacking energy: -420.335 Base-Backbone interact. energy: -2.921 local terms energy: -580.222278 where: bonds (distance) C4'-P energy: -124.720 bonds (distance) P-C4' energy: -127.276 flat angles C4'-P-C4' energy: -149.315 flat angles P-C4'-P energy: -108.112 tors. eta vs tors. theta energy: -70.799 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: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1300.994366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.994366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.994366 (E_RNA) where: Base-Base interactions energy: -755.195 where: short stacking energy: -382.418 Base-Backbone interact. energy: -0.129 local terms energy: -545.669803 where: bonds (distance) C4'-P energy: -145.908 bonds (distance) P-C4' energy: -157.407 flat angles C4'-P-C4' energy: -113.003 flat angles P-C4'-P energy: -78.556 tors. eta vs tors. theta energy: -50.797 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: 216 Temperature: 1.300000 Total energy: -907.066520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.066520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.066520 (E_RNA) where: Base-Base interactions energy: -435.355 where: short stacking energy: -243.102 Base-Backbone interact. energy: 0.127 local terms energy: -471.838509 where: bonds (distance) C4'-P energy: -138.582 bonds (distance) P-C4' energy: -158.563 flat angles C4'-P-C4' energy: -105.270 flat angles P-C4'-P energy: -75.306 tors. eta vs tors. theta energy: 5.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -750.978625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.978625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.978625 (E_RNA) where: Base-Base interactions energy: -344.704 where: short stacking energy: -208.969 Base-Backbone interact. energy: 3.721 local terms energy: -409.994985 where: bonds (distance) C4'-P energy: -126.617 bonds (distance) P-C4' energy: -154.765 flat angles C4'-P-C4' energy: -87.026 flat angles P-C4'-P energy: -57.943 tors. eta vs tors. theta energy: 16.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2852.299013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.299013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.299013 (E_RNA) where: Base-Base interactions energy: -1928.014 where: short stacking energy: -829.663 Base-Backbone interact. energy: -4.243 local terms energy: -920.041740 where: bonds (distance) C4'-P energy: -166.124 bonds (distance) P-C4' energy: -180.753 flat angles C4'-P-C4' energy: -192.136 flat angles P-C4'-P energy: -118.261 tors. eta vs tors. theta energy: -262.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2794.598631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.598631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.598631 (E_RNA) where: Base-Base interactions energy: -1913.831 where: short stacking energy: -819.548 Base-Backbone interact. energy: -4.012 local terms energy: -876.755765 where: bonds (distance) C4'-P energy: -153.092 bonds (distance) P-C4' energy: -159.721 flat angles C4'-P-C4' energy: -185.778 flat angles P-C4'-P energy: -126.794 tors. eta vs tors. theta energy: -251.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2651.655066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.655066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.655066 (E_RNA) where: Base-Base interactions energy: -1836.561 where: short stacking energy: -769.195 Base-Backbone interact. energy: -2.403 local terms energy: -812.690293 where: bonds (distance) C4'-P energy: -157.124 bonds (distance) P-C4' energy: -136.720 flat angles C4'-P-C4' energy: -170.546 flat angles P-C4'-P energy: -127.077 tors. eta vs tors. theta energy: -221.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2382.991329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.991329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.991329 (E_RNA) where: Base-Base interactions energy: -1600.389 where: short stacking energy: -743.687 Base-Backbone interact. energy: -2.377 local terms energy: -780.226199 where: bonds (distance) C4'-P energy: -156.573 bonds (distance) P-C4' energy: -143.055 flat angles C4'-P-C4' energy: -175.325 flat angles P-C4'-P energy: -90.867 tors. eta vs tors. theta energy: -214.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2255.254186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.254186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.254186 (E_RNA) where: Base-Base interactions energy: -1512.907 where: short stacking energy: -660.738 Base-Backbone interact. energy: -3.710 local terms energy: -738.637205 where: bonds (distance) C4'-P energy: -143.354 bonds (distance) P-C4' energy: -156.004 flat angles C4'-P-C4' energy: -147.024 flat angles P-C4'-P energy: -115.158 tors. eta vs tors. theta energy: -177.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1950.600202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.600202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.600202 (E_RNA) where: Base-Base interactions energy: -1278.653 where: short stacking energy: -578.665 Base-Backbone interact. energy: -0.568 local terms energy: -671.379652 where: bonds (distance) C4'-P energy: -134.790 bonds (distance) P-C4' energy: -130.332 flat angles C4'-P-C4' energy: -158.270 flat angles P-C4'-P energy: -86.842 tors. eta vs tors. theta energy: -161.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1465.909587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.909587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.909587 (E_RNA) where: Base-Base interactions energy: -893.342 where: short stacking energy: -439.912 Base-Backbone interact. energy: -0.933 local terms energy: -571.634706 where: bonds (distance) C4'-P energy: -142.145 bonds (distance) P-C4' energy: -140.089 flat angles C4'-P-C4' energy: -132.640 flat angles P-C4'-P energy: -85.718 tors. eta vs tors. theta energy: -71.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1309.129181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.129181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.129181 (E_RNA) where: Base-Base interactions energy: -747.862 where: short stacking energy: -375.752 Base-Backbone interact. energy: 2.879 local terms energy: -564.146716 where: bonds (distance) C4'-P energy: -116.564 bonds (distance) P-C4' energy: -148.993 flat angles C4'-P-C4' energy: -135.977 flat angles P-C4'-P energy: -89.698 tors. eta vs tors. theta energy: -72.914 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: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -939.717941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.717941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.717941 (E_RNA) where: Base-Base interactions energy: -432.064 where: short stacking energy: -252.024 Base-Backbone interact. energy: -1.983 local terms energy: -505.670409 where: bonds (distance) C4'-P energy: -132.573 bonds (distance) P-C4' energy: -158.661 flat angles C4'-P-C4' energy: -117.988 flat angles P-C4'-P energy: -79.144 tors. eta vs tors. theta energy: -17.305 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: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -748.283501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.283501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.283501 (E_RNA) where: Base-Base interactions energy: -298.041 where: short stacking energy: -188.755 Base-Backbone interact. energy: -0.822 local terms energy: -449.420907 where: bonds (distance) C4'-P energy: -128.141 bonds (distance) P-C4' energy: -134.537 flat angles C4'-P-C4' energy: -113.312 flat angles P-C4'-P energy: -72.469 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: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2850.315095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.315095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.315095 (E_RNA) where: Base-Base interactions energy: -1944.235 where: short stacking energy: -847.010 Base-Backbone interact. energy: -6.407 local terms energy: -899.672946 where: bonds (distance) C4'-P energy: -164.193 bonds (distance) P-C4' energy: -154.771 flat angles C4'-P-C4' energy: -204.379 flat angles P-C4'-P energy: -122.178 tors. eta vs tors. theta energy: -254.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2818.188168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.188168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.188168 (E_RNA) where: Base-Base interactions energy: -1876.280 where: short stacking energy: -830.215 Base-Backbone interact. energy: -1.370 local terms energy: -940.538789 where: bonds (distance) C4'-P energy: -175.956 bonds (distance) P-C4' energy: -170.872 flat angles C4'-P-C4' energy: -191.758 flat angles P-C4'-P energy: -139.218 tors. eta vs tors. theta energy: -262.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2677.007479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.007479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.007479 (E_RNA) where: Base-Base interactions energy: -1861.529 where: short stacking energy: -769.389 Base-Backbone interact. energy: -4.079 local terms energy: -811.398849 where: bonds (distance) C4'-P energy: -134.199 bonds (distance) P-C4' energy: -147.745 flat angles C4'-P-C4' energy: -179.676 flat angles P-C4'-P energy: -135.084 tors. eta vs tors. theta energy: -214.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2393.849252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.849252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.849252 (E_RNA) where: Base-Base interactions energy: -1592.931 where: short stacking energy: -672.945 Base-Backbone interact. energy: -3.643 local terms energy: -797.275985 where: bonds (distance) C4'-P energy: -168.554 bonds (distance) P-C4' energy: -159.199 flat angles C4'-P-C4' energy: -161.093 flat angles P-C4'-P energy: -107.752 tors. eta vs tors. theta energy: -200.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2279.440972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.440972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.440972 (E_RNA) where: Base-Base interactions energy: -1501.601 where: short stacking energy: -641.152 Base-Backbone interact. energy: 1.987 local terms energy: -779.827102 where: bonds (distance) C4'-P energy: -156.739 bonds (distance) P-C4' energy: -148.618 flat angles C4'-P-C4' energy: -167.920 flat angles P-C4'-P energy: -121.902 tors. eta vs tors. theta energy: -184.649 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: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1943.766827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.766827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.766827 (E_RNA) where: Base-Base interactions energy: -1241.841 where: short stacking energy: -559.327 Base-Backbone interact. energy: -0.032 local terms energy: -701.893796 where: bonds (distance) C4'-P energy: -143.896 bonds (distance) P-C4' energy: -143.257 flat angles C4'-P-C4' energy: -151.298 flat angles P-C4'-P energy: -106.636 tors. eta vs tors. theta energy: -156.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1475.182386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.182386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.182386 (E_RNA) where: Base-Base interactions energy: -895.131 where: short stacking energy: -431.538 Base-Backbone interact. energy: -4.474 local terms energy: -575.578051 where: bonds (distance) C4'-P energy: -122.088 bonds (distance) P-C4' energy: -136.128 flat angles C4'-P-C4' energy: -157.842 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -72.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1351.903297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.903297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.903297 (E_RNA) where: Base-Base interactions energy: -841.217 where: short stacking energy: -407.201 Base-Backbone interact. energy: -2.312 local terms energy: -508.374290 where: bonds (distance) C4'-P energy: -118.471 bonds (distance) P-C4' energy: -134.237 flat angles C4'-P-C4' energy: -132.085 flat angles P-C4'-P energy: -73.298 tors. eta vs tors. theta energy: -50.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -912.134802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.134802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.134802 (E_RNA) where: Base-Base interactions energy: -467.401 where: short stacking energy: -284.210 Base-Backbone interact. energy: 8.115 local terms energy: -452.848883 where: bonds (distance) C4'-P energy: -142.590 bonds (distance) P-C4' energy: -114.713 flat angles C4'-P-C4' energy: -123.486 flat angles P-C4'-P energy: -67.399 tors. eta vs tors. theta energy: -4.660 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: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -685.835733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.835733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.835733 (E_RNA) where: Base-Base interactions energy: -306.174 where: short stacking energy: -217.014 Base-Backbone interact. energy: 0.514 local terms energy: -380.175417 where: bonds (distance) C4'-P energy: -124.638 bonds (distance) P-C4' energy: -126.390 flat angles C4'-P-C4' energy: -95.215 flat angles P-C4'-P energy: -64.421 tors. eta vs tors. theta energy: 30.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2901.169845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.169845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.169845 (E_RNA) where: Base-Base interactions energy: -1993.032 where: short stacking energy: -860.446 Base-Backbone interact. energy: -3.900 local terms energy: -904.237977 where: bonds (distance) C4'-P energy: -156.920 bonds (distance) P-C4' energy: -162.201 flat angles C4'-P-C4' energy: -202.883 flat angles P-C4'-P energy: -117.803 tors. eta vs tors. theta energy: -264.430 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: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2791.330509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.330509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.330509 (E_RNA) where: Base-Base interactions energy: -1906.303 where: short stacking energy: -823.998 Base-Backbone interact. energy: -4.104 local terms energy: -880.923835 where: bonds (distance) C4'-P energy: -151.976 bonds (distance) P-C4' energy: -149.949 flat angles C4'-P-C4' energy: -189.702 flat angles P-C4'-P energy: -135.191 tors. eta vs tors. theta energy: -254.105 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: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2719.147218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.147218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.147218 (E_RNA) where: Base-Base interactions energy: -1865.513 where: short stacking energy: -787.195 Base-Backbone interact. energy: -4.641 local terms energy: -848.993603 where: bonds (distance) C4'-P energy: -163.137 bonds (distance) P-C4' energy: -155.929 flat angles C4'-P-C4' energy: -181.010 flat angles P-C4'-P energy: -121.347 tors. eta vs tors. theta energy: -227.570 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: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2381.971678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.971678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.971678 (E_RNA) where: Base-Base interactions energy: -1600.782 where: short stacking energy: -722.746 Base-Backbone interact. energy: -3.012 local terms energy: -778.177223 where: bonds (distance) C4'-P energy: -128.648 bonds (distance) P-C4' energy: -149.234 flat angles C4'-P-C4' energy: -184.893 flat angles P-C4'-P energy: -108.261 tors. eta vs tors. theta energy: -207.140 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: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2297.234771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.234771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.234771 (E_RNA) where: Base-Base interactions energy: -1534.327 where: short stacking energy: -647.733 Base-Backbone interact. energy: -3.411 local terms energy: -759.496713 where: bonds (distance) C4'-P energy: -136.420 bonds (distance) P-C4' energy: -146.669 flat angles C4'-P-C4' energy: -167.095 flat angles P-C4'-P energy: -124.440 tors. eta vs tors. theta energy: -184.873 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: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1923.254271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.254271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.254271 (E_RNA) where: Base-Base interactions energy: -1234.598 where: short stacking energy: -539.228 Base-Backbone interact. energy: -2.556 local terms energy: -686.099725 where: bonds (distance) C4'-P energy: -142.814 bonds (distance) P-C4' energy: -150.858 flat angles C4'-P-C4' energy: -158.837 flat angles P-C4'-P energy: -108.833 tors. eta vs tors. theta energy: -124.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1535.102643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.102643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.102643 (E_RNA) where: Base-Base interactions energy: -951.626 where: short stacking energy: -455.489 Base-Backbone interact. energy: -1.765 local terms energy: -581.711470 where: bonds (distance) C4'-P energy: -128.832 bonds (distance) P-C4' energy: -136.955 flat angles C4'-P-C4' energy: -145.586 flat angles P-C4'-P energy: -88.479 tors. eta vs tors. theta energy: -81.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1369.919948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.919948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.919948 (E_RNA) where: Base-Base interactions energy: -852.642 where: short stacking energy: -397.597 Base-Backbone interact. energy: 2.685 local terms energy: -519.963165 where: bonds (distance) C4'-P energy: -107.702 bonds (distance) P-C4' energy: -150.973 flat angles C4'-P-C4' energy: -147.349 flat angles P-C4'-P energy: -59.105 tors. eta vs tors. theta energy: -54.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -911.040076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.040076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.040076 (E_RNA) where: Base-Base interactions energy: -446.220 where: short stacking energy: -273.628 Base-Backbone interact. energy: -1.897 local terms energy: -462.922287 where: bonds (distance) C4'-P energy: -127.229 bonds (distance) P-C4' energy: -139.513 flat angles C4'-P-C4' energy: -126.325 flat angles P-C4'-P energy: -55.508 tors. eta vs tors. theta energy: -14.347 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: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -705.604096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.604096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.604096 (E_RNA) where: Base-Base interactions energy: -290.382 where: short stacking energy: -196.155 Base-Backbone interact. energy: 1.044 local terms energy: -416.266538 where: bonds (distance) C4'-P energy: -101.172 bonds (distance) P-C4' energy: -131.949 flat angles C4'-P-C4' energy: -123.263 flat angles P-C4'-P energy: -78.836 tors. eta vs tors. theta energy: 18.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2921.763476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.763476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.763476 (E_RNA) where: Base-Base interactions energy: -1992.011 where: short stacking energy: -829.622 Base-Backbone interact. energy: -5.790 local terms energy: -923.962088 where: bonds (distance) C4'-P energy: -167.075 bonds (distance) P-C4' energy: -161.333 flat angles C4'-P-C4' energy: -202.033 flat angles P-C4'-P energy: -128.369 tors. eta vs tors. theta energy: -265.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2833.858442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.858442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.858442 (E_RNA) where: Base-Base interactions energy: -1959.067 where: short stacking energy: -853.442 Base-Backbone interact. energy: 0.911 local terms energy: -875.702228 where: bonds (distance) C4'-P energy: -158.377 bonds (distance) P-C4' energy: -166.299 flat angles C4'-P-C4' energy: -178.742 flat angles P-C4'-P energy: -119.233 tors. eta vs tors. theta energy: -253.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2682.194527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.194527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.194527 (E_RNA) where: Base-Base interactions energy: -1834.590 where: short stacking energy: -798.654 Base-Backbone interact. energy: -5.873 local terms energy: -841.731876 where: bonds (distance) C4'-P energy: -164.715 bonds (distance) P-C4' energy: -165.172 flat angles C4'-P-C4' energy: -177.508 flat angles P-C4'-P energy: -114.529 tors. eta vs tors. theta energy: -219.808 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: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2384.207749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.207749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.207749 (E_RNA) where: Base-Base interactions energy: -1621.430 where: short stacking energy: -732.019 Base-Backbone interact. energy: 0.339 local terms energy: -763.117432 where: bonds (distance) C4'-P energy: -129.106 bonds (distance) P-C4' energy: -139.287 flat angles C4'-P-C4' energy: -169.640 flat angles P-C4'-P energy: -97.567 tors. eta vs tors. theta energy: -227.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2322.463168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.463168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.463168 (E_RNA) where: Base-Base interactions energy: -1553.982 where: short stacking energy: -627.221 Base-Backbone interact. energy: -3.985 local terms energy: -764.496399 where: bonds (distance) C4'-P energy: -147.608 bonds (distance) P-C4' energy: -155.893 flat angles C4'-P-C4' energy: -172.289 flat angles P-C4'-P energy: -102.880 tors. eta vs tors. theta energy: -185.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1966.291946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.291946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.291946 (E_RNA) where: Base-Base interactions energy: -1291.161 where: short stacking energy: -587.097 Base-Backbone interact. energy: -2.451 local terms energy: -672.680504 where: bonds (distance) C4'-P energy: -139.967 bonds (distance) P-C4' energy: -150.833 flat angles C4'-P-C4' energy: -156.199 flat angles P-C4'-P energy: -84.603 tors. eta vs tors. theta energy: -141.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1492.276347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.276347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.276347 (E_RNA) where: Base-Base interactions energy: -913.899 where: short stacking energy: -435.214 Base-Backbone interact. energy: -1.514 local terms energy: -576.863322 where: bonds (distance) C4'-P energy: -127.018 bonds (distance) P-C4' energy: -152.149 flat angles C4'-P-C4' energy: -138.785 flat angles P-C4'-P energy: -72.597 tors. eta vs tors. theta energy: -86.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1519.289600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.289600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.289600 (E_RNA) where: Base-Base interactions energy: -947.735 where: short stacking energy: -447.287 Base-Backbone interact. energy: 0.921 local terms energy: -572.475026 where: bonds (distance) C4'-P energy: -127.481 bonds (distance) P-C4' energy: -116.516 flat angles C4'-P-C4' energy: -146.814 flat angles P-C4'-P energy: -99.161 tors. eta vs tors. theta energy: -82.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -927.323889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.323889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.323889 (E_RNA) where: Base-Base interactions energy: -460.882 where: short stacking energy: -247.388 Base-Backbone interact. energy: -4.580 local terms energy: -461.861598 where: bonds (distance) C4'-P energy: -137.578 bonds (distance) P-C4' energy: -159.279 flat angles C4'-P-C4' energy: -109.556 flat angles P-C4'-P energy: -55.873 tors. eta vs tors. theta energy: 0.425 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: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -813.780010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.780010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.780010 (E_RNA) where: Base-Base interactions energy: -377.732 where: short stacking energy: -228.200 Base-Backbone interact. energy: 2.691 local terms energy: -438.738487 where: bonds (distance) C4'-P energy: -136.321 bonds (distance) P-C4' energy: -136.797 flat angles C4'-P-C4' energy: -119.791 flat angles P-C4'-P energy: -57.874 tors. eta vs tors. theta energy: 12.045 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: 221 Temperature: 0.900000 Total energy: -2910.132229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.132229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.132229 (E_RNA) where: Base-Base interactions energy: -2004.102 where: short stacking energy: -843.606 Base-Backbone interact. energy: -5.269 local terms energy: -900.761680 where: bonds (distance) C4'-P energy: -162.880 bonds (distance) P-C4' energy: -152.903 flat angles C4'-P-C4' energy: -183.101 flat angles P-C4'-P energy: -135.759 tors. eta vs tors. theta energy: -266.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2817.576952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.576952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.576952 (E_RNA) where: Base-Base interactions energy: -1907.688 where: short stacking energy: -819.274 Base-Backbone interact. energy: -5.214 local terms energy: -904.675002 where: bonds (distance) C4'-P energy: -162.145 bonds (distance) P-C4' energy: -148.395 flat angles C4'-P-C4' energy: -195.821 flat angles P-C4'-P energy: -136.992 tors. eta vs tors. theta energy: -261.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2661.912558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.912558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.912558 (E_RNA) where: Base-Base interactions energy: -1815.078 where: short stacking energy: -765.406 Base-Backbone interact. energy: -3.669 local terms energy: -843.165742 where: bonds (distance) C4'-P energy: -148.273 bonds (distance) P-C4' energy: -163.552 flat angles C4'-P-C4' energy: -178.204 flat angles P-C4'-P energy: -128.354 tors. eta vs tors. theta energy: -224.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2420.440796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.440796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.440796 (E_RNA) where: Base-Base interactions energy: -1607.636 where: short stacking energy: -705.144 Base-Backbone interact. energy: -1.981 local terms energy: -810.823531 where: bonds (distance) C4'-P energy: -145.458 bonds (distance) P-C4' energy: -157.300 flat angles C4'-P-C4' energy: -182.444 flat angles P-C4'-P energy: -118.398 tors. eta vs tors. theta energy: -207.223 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: 221 Temperature: 1.100000 Total energy: -2333.303574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.303574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.303574 (E_RNA) where: Base-Base interactions energy: -1554.773 where: short stacking energy: -644.367 Base-Backbone interact. energy: -2.537 local terms energy: -775.993788 where: bonds (distance) C4'-P energy: -154.920 bonds (distance) P-C4' energy: -155.296 flat angles C4'-P-C4' energy: -162.308 flat angles P-C4'-P energy: -114.792 tors. eta vs tors. theta energy: -188.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1908.957809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.957809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.957809 (E_RNA) where: Base-Base interactions energy: -1241.027 where: short stacking energy: -503.132 Base-Backbone interact. energy: 0.390 local terms energy: -668.321000 where: bonds (distance) C4'-P energy: -150.946 bonds (distance) P-C4' energy: -148.447 flat angles C4'-P-C4' energy: -155.743 flat angles P-C4'-P energy: -89.027 tors. eta vs tors. theta energy: -124.158 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: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1519.980048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.980048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.980048 (E_RNA) where: Base-Base interactions energy: -927.215 where: short stacking energy: -446.369 Base-Backbone interact. energy: 6.035 local terms energy: -598.800310 where: bonds (distance) C4'-P energy: -139.068 bonds (distance) P-C4' energy: -149.997 flat angles C4'-P-C4' energy: -140.646 flat angles P-C4'-P energy: -76.990 tors. eta vs tors. theta energy: -92.100 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: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1389.452316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.452316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.452316 (E_RNA) where: Base-Base interactions energy: -864.851 where: short stacking energy: -396.956 Base-Backbone interact. energy: 9.464 local terms energy: -534.065644 where: bonds (distance) C4'-P energy: -142.631 bonds (distance) P-C4' energy: -126.583 flat angles C4'-P-C4' energy: -113.494 flat angles P-C4'-P energy: -88.576 tors. eta vs tors. theta energy: -62.781 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: 221 Temperature: 1.300000 Total energy: -1021.610287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.610287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.610287 (E_RNA) where: Base-Base interactions energy: -542.208 where: short stacking energy: -271.496 Base-Backbone interact. energy: -2.313 local terms energy: -477.089738 where: bonds (distance) C4'-P energy: -128.541 bonds (distance) P-C4' energy: -137.913 flat angles C4'-P-C4' energy: -125.596 flat angles P-C4'-P energy: -74.358 tors. eta vs tors. theta energy: -10.682 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: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -806.774331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.774331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.774331 (E_RNA) where: Base-Base interactions energy: -375.309 where: short stacking energy: -232.992 Base-Backbone interact. energy: 1.069 local terms energy: -432.534138 where: bonds (distance) C4'-P energy: -120.253 bonds (distance) P-C4' energy: -141.215 flat angles C4'-P-C4' energy: -109.019 flat angles P-C4'-P energy: -65.597 tors. eta vs tors. theta energy: 3.550 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: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2915.981090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.981090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.981090 (E_RNA) where: Base-Base interactions energy: -2020.285 where: short stacking energy: -855.178 Base-Backbone interact. energy: -5.101 local terms energy: -890.595416 where: bonds (distance) C4'-P energy: -171.723 bonds (distance) P-C4' energy: -152.461 flat angles C4'-P-C4' energy: -182.673 flat angles P-C4'-P energy: -131.927 tors. eta vs tors. theta energy: -251.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2833.204598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.204598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.204598 (E_RNA) where: Base-Base interactions energy: -1923.258 where: short stacking energy: -804.948 Base-Backbone interact. energy: -3.200 local terms energy: -906.746435 where: bonds (distance) C4'-P energy: -167.435 bonds (distance) P-C4' energy: -161.123 flat angles C4'-P-C4' energy: -196.378 flat angles P-C4'-P energy: -126.167 tors. eta vs tors. theta energy: -255.643 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: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2679.471032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.471032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.471032 (E_RNA) where: Base-Base interactions energy: -1827.448 where: short stacking energy: -769.704 Base-Backbone interact. energy: -2.993 local terms energy: -849.029879 where: bonds (distance) C4'-P energy: -171.915 bonds (distance) P-C4' energy: -152.552 flat angles C4'-P-C4' energy: -180.601 flat angles P-C4'-P energy: -112.092 tors. eta vs tors. theta energy: -231.870 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: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2420.008985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.008985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.008985 (E_RNA) where: Base-Base interactions energy: -1609.120 where: short stacking energy: -716.444 Base-Backbone interact. energy: -2.208 local terms energy: -808.681765 where: bonds (distance) C4'-P energy: -148.359 bonds (distance) P-C4' energy: -161.150 flat angles C4'-P-C4' energy: -172.578 flat angles P-C4'-P energy: -109.256 tors. eta vs tors. theta energy: -217.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2312.879619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.879619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.879619 (E_RNA) where: Base-Base interactions energy: -1562.129 where: short stacking energy: -683.637 Base-Backbone interact. energy: -1.456 local terms energy: -749.293942 where: bonds (distance) C4'-P energy: -136.359 bonds (distance) P-C4' energy: -157.330 flat angles C4'-P-C4' energy: -153.784 flat angles P-C4'-P energy: -110.456 tors. eta vs tors. theta energy: -191.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1925.158615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.158615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.158615 (E_RNA) where: Base-Base interactions energy: -1249.671 where: short stacking energy: -570.210 Base-Backbone interact. energy: -1.966 local terms energy: -673.522274 where: bonds (distance) C4'-P energy: -138.004 bonds (distance) P-C4' energy: -138.645 flat angles C4'-P-C4' energy: -161.497 flat angles P-C4'-P energy: -99.328 tors. eta vs tors. theta energy: -136.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1517.997103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.997103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.997103 (E_RNA) where: Base-Base interactions energy: -913.199 where: short stacking energy: -420.533 Base-Backbone interact. energy: 1.058 local terms energy: -605.856149 where: bonds (distance) C4'-P energy: -146.668 bonds (distance) P-C4' energy: -151.725 flat angles C4'-P-C4' energy: -140.859 flat angles P-C4'-P energy: -89.083 tors. eta vs tors. theta energy: -77.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1348.770941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.770941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.770941 (E_RNA) where: Base-Base interactions energy: -794.315 where: short stacking energy: -410.921 Base-Backbone interact. energy: 2.505 local terms energy: -556.960614 where: bonds (distance) C4'-P energy: -141.153 bonds (distance) P-C4' energy: -124.899 flat angles C4'-P-C4' energy: -138.053 flat angles P-C4'-P energy: -83.088 tors. eta vs tors. theta energy: -69.768 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: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1035.314197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.314197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.314197 (E_RNA) where: Base-Base interactions energy: -548.974 where: short stacking energy: -306.968 Base-Backbone interact. energy: -0.158 local terms energy: -486.181940 where: bonds (distance) C4'-P energy: -141.083 bonds (distance) P-C4' energy: -148.869 flat angles C4'-P-C4' energy: -121.748 flat angles P-C4'-P energy: -69.340 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -743.002780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.002780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.002780 (E_RNA) where: Base-Base interactions energy: -334.510 where: short stacking energy: -203.131 Base-Backbone interact. energy: -2.475 local terms energy: -406.017535 where: bonds (distance) C4'-P energy: -109.771 bonds (distance) P-C4' energy: -158.338 flat angles C4'-P-C4' energy: -103.653 flat angles P-C4'-P energy: -51.443 tors. eta vs tors. theta energy: 17.187 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: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2898.743645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.743645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.743645 (E_RNA) where: Base-Base interactions energy: -1973.650 where: short stacking energy: -862.968 Base-Backbone interact. energy: -4.413 local terms energy: -920.680698 where: bonds (distance) C4'-P energy: -156.479 bonds (distance) P-C4' energy: -174.811 flat angles C4'-P-C4' energy: -182.943 flat angles P-C4'-P energy: -133.156 tors. eta vs tors. theta energy: -273.291 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: 223 Temperature: 0.950000 Total energy: -2804.740828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.740828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.740828 (E_RNA) where: Base-Base interactions energy: -1914.868 where: short stacking energy: -825.506 Base-Backbone interact. energy: 4.252 local terms energy: -894.125458 where: bonds (distance) C4'-P energy: -156.257 bonds (distance) P-C4' energy: -156.331 flat angles C4'-P-C4' energy: -199.006 flat angles P-C4'-P energy: -122.225 tors. eta vs tors. theta energy: -260.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2653.974712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.974712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.974712 (E_RNA) where: Base-Base interactions energy: -1836.225 where: short stacking energy: -773.754 Base-Backbone interact. energy: -0.977 local terms energy: -816.773076 where: bonds (distance) C4'-P energy: -158.625 bonds (distance) P-C4' energy: -136.334 flat angles C4'-P-C4' energy: -188.093 flat angles P-C4'-P energy: -116.438 tors. eta vs tors. theta energy: -217.283 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: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2378.489538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.489538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.489538 (E_RNA) where: Base-Base interactions energy: -1567.651 where: short stacking energy: -714.063 Base-Backbone interact. energy: -4.735 local terms energy: -806.103946 where: bonds (distance) C4'-P energy: -152.332 bonds (distance) P-C4' energy: -159.494 flat angles C4'-P-C4' energy: -162.378 flat angles P-C4'-P energy: -110.980 tors. eta vs tors. theta energy: -220.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2323.961133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.961133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.961133 (E_RNA) where: Base-Base interactions energy: -1551.492 where: short stacking energy: -673.736 Base-Backbone interact. energy: -1.356 local terms energy: -771.113422 where: bonds (distance) C4'-P energy: -152.294 bonds (distance) P-C4' energy: -166.674 flat angles C4'-P-C4' energy: -180.866 flat angles P-C4'-P energy: -92.346 tors. eta vs tors. theta energy: -178.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1941.657347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.657347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.657347 (E_RNA) where: Base-Base interactions energy: -1226.842 where: short stacking energy: -575.356 Base-Backbone interact. energy: -1.929 local terms energy: -712.886330 where: bonds (distance) C4'-P energy: -135.816 bonds (distance) P-C4' energy: -154.328 flat angles C4'-P-C4' energy: -159.502 flat angles P-C4'-P energy: -105.374 tors. eta vs tors. theta energy: -157.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1537.318364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.318364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.318364 (E_RNA) where: Base-Base interactions energy: -944.297 where: short stacking energy: -445.811 Base-Backbone interact. energy: 3.552 local terms energy: -596.573470 where: bonds (distance) C4'-P energy: -140.328 bonds (distance) P-C4' energy: -141.487 flat angles C4'-P-C4' energy: -128.919 flat angles P-C4'-P energy: -97.916 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: 8, replica: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1439.393191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.393191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.393191 (E_RNA) where: Base-Base interactions energy: -880.390 where: short stacking energy: -437.082 Base-Backbone interact. energy: 0.260 local terms energy: -559.263542 where: bonds (distance) C4'-P energy: -109.860 bonds (distance) P-C4' energy: -137.188 flat angles C4'-P-C4' energy: -140.072 flat angles P-C4'-P energy: -100.973 tors. eta vs tors. theta energy: -71.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1021.354769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.354769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.354769 (E_RNA) where: Base-Base interactions energy: -538.159 where: short stacking energy: -306.672 Base-Backbone interact. energy: -1.756 local terms energy: -481.440635 where: bonds (distance) C4'-P energy: -144.189 bonds (distance) P-C4' energy: -131.430 flat angles C4'-P-C4' energy: -118.149 flat angles P-C4'-P energy: -75.426 tors. eta vs tors. theta energy: -12.246 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: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -714.618502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.618502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.618502 (E_RNA) where: Base-Base interactions energy: -259.841 where: short stacking energy: -178.979 Base-Backbone interact. energy: -1.954 local terms energy: -452.822906 where: bonds (distance) C4'-P energy: -139.275 bonds (distance) P-C4' energy: -146.488 flat angles C4'-P-C4' energy: -126.084 flat angles P-C4'-P energy: -63.223 tors. eta vs tors. theta energy: 22.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2898.394817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.394817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.394817 (E_RNA) where: Base-Base interactions energy: -1961.754 where: short stacking energy: -872.778 Base-Backbone interact. energy: -3.816 local terms energy: -932.825121 where: bonds (distance) C4'-P energy: -163.143 bonds (distance) P-C4' energy: -183.120 flat angles C4'-P-C4' energy: -199.695 flat angles P-C4'-P energy: -120.572 tors. eta vs tors. theta energy: -266.296 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: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2804.849172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.849172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.849172 (E_RNA) where: Base-Base interactions energy: -1963.496 where: short stacking energy: -809.710 Base-Backbone interact. energy: -3.042 local terms energy: -838.311942 where: bonds (distance) C4'-P energy: -136.181 bonds (distance) P-C4' energy: -172.663 flat angles C4'-P-C4' energy: -180.668 flat angles P-C4'-P energy: -108.035 tors. eta vs tors. theta energy: -240.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2676.783851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.783851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.783851 (E_RNA) where: Base-Base interactions energy: -1824.918 where: short stacking energy: -774.689 Base-Backbone interact. energy: -4.265 local terms energy: -847.600808 where: bonds (distance) C4'-P energy: -178.342 bonds (distance) P-C4' energy: -156.149 flat angles C4'-P-C4' energy: -175.577 flat angles P-C4'-P energy: -113.168 tors. eta vs tors. theta energy: -224.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2369.808574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.808574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.808574 (E_RNA) where: Base-Base interactions energy: -1564.152 where: short stacking energy: -697.362 Base-Backbone interact. energy: -0.478 local terms energy: -805.178543 where: bonds (distance) C4'-P energy: -152.638 bonds (distance) P-C4' energy: -172.823 flat angles C4'-P-C4' energy: -176.011 flat angles P-C4'-P energy: -114.049 tors. eta vs tors. theta energy: -189.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2318.764511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.764511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.764511 (E_RNA) where: Base-Base interactions energy: -1564.403 where: short stacking energy: -643.151 Base-Backbone interact. energy: -0.023 local terms energy: -754.338241 where: bonds (distance) C4'-P energy: -151.178 bonds (distance) P-C4' energy: -147.241 flat angles C4'-P-C4' energy: -164.185 flat angles P-C4'-P energy: -110.806 tors. eta vs tors. theta energy: -180.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1943.959449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.959449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.959449 (E_RNA) where: Base-Base interactions energy: -1240.206 where: short stacking energy: -567.403 Base-Backbone interact. energy: -3.423 local terms energy: -700.330812 where: bonds (distance) C4'-P energy: -143.639 bonds (distance) P-C4' energy: -143.893 flat angles C4'-P-C4' energy: -161.008 flat angles P-C4'-P energy: -107.571 tors. eta vs tors. theta energy: -144.219 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: 7, replica: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1610.593678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.593678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.593678 (E_RNA) where: Base-Base interactions energy: -1004.329 where: short stacking energy: -455.992 Base-Backbone interact. energy: -3.484 local terms energy: -602.781295 where: bonds (distance) C4'-P energy: -123.929 bonds (distance) P-C4' energy: -155.774 flat angles C4'-P-C4' energy: -128.883 flat angles P-C4'-P energy: -82.646 tors. eta vs tors. theta energy: -111.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1416.725315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.725315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.725315 (E_RNA) where: Base-Base interactions energy: -846.058 where: short stacking energy: -393.401 Base-Backbone interact. energy: -1.115 local terms energy: -569.552787 where: bonds (distance) C4'-P energy: -124.429 bonds (distance) P-C4' energy: -144.805 flat angles C4'-P-C4' energy: -140.603 flat angles P-C4'-P energy: -99.812 tors. eta vs tors. theta energy: -59.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1052.169844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.169844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.169844 (E_RNA) where: Base-Base interactions energy: -536.541 where: short stacking energy: -272.182 Base-Backbone interact. energy: 13.298 local terms energy: -528.926880 where: bonds (distance) C4'-P energy: -139.554 bonds (distance) P-C4' energy: -156.391 flat angles C4'-P-C4' energy: -120.451 flat angles P-C4'-P energy: -91.429 tors. eta vs tors. theta energy: -21.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -703.718108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.718108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.718108 (E_RNA) where: Base-Base interactions energy: -256.685 where: short stacking energy: -186.825 Base-Backbone interact. energy: -3.803 local terms energy: -443.230644 where: bonds (distance) C4'-P energy: -152.902 bonds (distance) P-C4' energy: -126.090 flat angles C4'-P-C4' energy: -103.673 flat angles P-C4'-P energy: -83.972 tors. eta vs tors. theta energy: 23.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2886.949243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.949243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.949243 (E_RNA) where: Base-Base interactions energy: -1996.013 where: short stacking energy: -843.682 Base-Backbone interact. energy: -2.413 local terms energy: -888.523755 where: bonds (distance) C4'-P energy: -152.408 bonds (distance) P-C4' energy: -167.123 flat angles C4'-P-C4' energy: -186.675 flat angles P-C4'-P energy: -124.003 tors. eta vs tors. theta energy: -258.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2806.109854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.109854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.109854 (E_RNA) where: Base-Base interactions energy: -1943.241 where: short stacking energy: -819.932 Base-Backbone interact. energy: -2.027 local terms energy: -860.841069 where: bonds (distance) C4'-P energy: -157.261 bonds (distance) P-C4' energy: -141.762 flat angles C4'-P-C4' energy: -185.950 flat angles P-C4'-P energy: -128.886 tors. eta vs tors. theta energy: -246.982 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: 225 Temperature: 1.000000 Total energy: -2673.511898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.511898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.511898 (E_RNA) where: Base-Base interactions energy: -1829.998 where: short stacking energy: -794.601 Base-Backbone interact. energy: 0.508 local terms energy: -844.021091 where: bonds (distance) C4'-P energy: -141.331 bonds (distance) P-C4' energy: -158.041 flat angles C4'-P-C4' energy: -178.599 flat angles P-C4'-P energy: -132.962 tors. eta vs tors. theta energy: -233.088 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: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2392.260209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.260209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.260209 (E_RNA) where: Base-Base interactions energy: -1626.870 where: short stacking energy: -692.572 Base-Backbone interact. energy: -2.352 local terms energy: -763.037838 where: bonds (distance) C4'-P energy: -153.197 bonds (distance) P-C4' energy: -148.325 flat angles C4'-P-C4' energy: -171.809 flat angles P-C4'-P energy: -92.308 tors. eta vs tors. theta energy: -197.399 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: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2271.684350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.684350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.684350 (E_RNA) where: Base-Base interactions energy: -1508.681 where: short stacking energy: -635.339 Base-Backbone interact. energy: 5.889 local terms energy: -768.891923 where: bonds (distance) C4'-P energy: -142.477 bonds (distance) P-C4' energy: -155.106 flat angles C4'-P-C4' energy: -184.972 flat angles P-C4'-P energy: -115.077 tors. eta vs tors. theta energy: -171.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1983.085181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.085181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.085181 (E_RNA) where: Base-Base interactions energy: -1334.557 where: short stacking energy: -593.635 Base-Backbone interact. energy: -6.294 local terms energy: -642.233756 where: bonds (distance) C4'-P energy: -130.682 bonds (distance) P-C4' energy: -130.059 flat angles C4'-P-C4' energy: -142.189 flat angles P-C4'-P energy: -100.123 tors. eta vs tors. theta energy: -139.180 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: 225 Temperature: 1.200000 Total energy: -1626.001293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.001293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.001293 (E_RNA) where: Base-Base interactions energy: -1029.707 where: short stacking energy: -480.696 Base-Backbone interact. energy: 6.061 local terms energy: -602.355510 where: bonds (distance) C4'-P energy: -131.134 bonds (distance) P-C4' energy: -150.125 flat angles C4'-P-C4' energy: -139.491 flat angles P-C4'-P energy: -91.297 tors. eta vs tors. theta energy: -90.309 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: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1298.787000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.787000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.787000 (E_RNA) where: Base-Base interactions energy: -732.735 where: short stacking energy: -364.281 Base-Backbone interact. energy: -0.735 local terms energy: -565.316852 where: bonds (distance) C4'-P energy: -148.599 bonds (distance) P-C4' energy: -152.796 flat angles C4'-P-C4' energy: -127.546 flat angles P-C4'-P energy: -87.391 tors. eta vs tors. theta energy: -48.986 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: 9, replica: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1015.267218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.267218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.267218 (E_RNA) where: Base-Base interactions energy: -542.667 where: short stacking energy: -288.932 Base-Backbone interact. energy: 0.324 local terms energy: -472.923999 where: bonds (distance) C4'-P energy: -136.663 bonds (distance) P-C4' energy: -130.776 flat angles C4'-P-C4' energy: -117.174 flat angles P-C4'-P energy: -76.683 tors. eta vs tors. theta energy: -11.628 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: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -765.295722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.295722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.295722 (E_RNA) where: Base-Base interactions energy: -347.274 where: short stacking energy: -233.987 Base-Backbone interact. energy: -0.170 local terms energy: -417.852559 where: bonds (distance) C4'-P energy: -120.942 bonds (distance) P-C4' energy: -145.106 flat angles C4'-P-C4' energy: -115.217 flat angles P-C4'-P energy: -51.166 tors. eta vs tors. theta energy: 14.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2874.586413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.586413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.586413 (E_RNA) where: Base-Base interactions energy: -1964.812 where: short stacking energy: -837.636 Base-Backbone interact. energy: -2.342 local terms energy: -907.431862 where: bonds (distance) C4'-P energy: -150.955 bonds (distance) P-C4' energy: -172.011 flat angles C4'-P-C4' energy: -189.955 flat angles P-C4'-P energy: -133.361 tors. eta vs tors. theta energy: -261.150 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: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2816.123974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.123974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.123974 (E_RNA) where: Base-Base interactions energy: -1942.195 where: short stacking energy: -837.413 Base-Backbone interact. energy: -4.822 local terms energy: -869.107334 where: bonds (distance) C4'-P energy: -164.995 bonds (distance) P-C4' energy: -153.497 flat angles C4'-P-C4' energy: -179.509 flat angles P-C4'-P energy: -114.393 tors. eta vs tors. theta energy: -256.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2690.224591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.224591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.224591 (E_RNA) where: Base-Base interactions energy: -1840.414 where: short stacking energy: -779.113 Base-Backbone interact. energy: -1.268 local terms energy: -848.541778 where: bonds (distance) C4'-P energy: -154.361 bonds (distance) P-C4' energy: -159.834 flat angles C4'-P-C4' energy: -184.599 flat angles P-C4'-P energy: -119.097 tors. eta vs tors. theta energy: -230.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2379.659580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.659580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.659580 (E_RNA) where: Base-Base interactions energy: -1549.644 where: short stacking energy: -687.857 Base-Backbone interact. energy: -1.650 local terms energy: -828.365260 where: bonds (distance) C4'-P energy: -166.674 bonds (distance) P-C4' energy: -169.447 flat angles C4'-P-C4' energy: -184.534 flat angles P-C4'-P energy: -105.727 tors. eta vs tors. theta energy: -201.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2365.363246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.363246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.363246 (E_RNA) where: Base-Base interactions energy: -1598.120 where: short stacking energy: -688.027 Base-Backbone interact. energy: -2.308 local terms energy: -764.934443 where: bonds (distance) C4'-P energy: -162.948 bonds (distance) P-C4' energy: -146.266 flat angles C4'-P-C4' energy: -171.017 flat angles P-C4'-P energy: -100.470 tors. eta vs tors. theta energy: -184.234 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: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2004.536069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.536069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.536069 (E_RNA) where: Base-Base interactions energy: -1321.447 where: short stacking energy: -597.477 Base-Backbone interact. energy: -0.324 local terms energy: -682.764561 where: bonds (distance) C4'-P energy: -143.031 bonds (distance) P-C4' energy: -140.291 flat angles C4'-P-C4' energy: -147.673 flat angles P-C4'-P energy: -99.122 tors. eta vs tors. theta energy: -152.647 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: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1619.193438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.193438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.193438 (E_RNA) where: Base-Base interactions energy: -994.850 where: short stacking energy: -481.443 Base-Backbone interact. energy: 0.291 local terms energy: -624.634111 where: bonds (distance) C4'-P energy: -145.352 bonds (distance) P-C4' energy: -150.936 flat angles C4'-P-C4' energy: -152.222 flat angles P-C4'-P energy: -67.707 tors. eta vs tors. theta energy: -108.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1329.562018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.562018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.562018 (E_RNA) where: Base-Base interactions energy: -748.506 where: short stacking energy: -370.022 Base-Backbone interact. energy: -1.844 local terms energy: -579.212371 where: bonds (distance) C4'-P energy: -138.271 bonds (distance) P-C4' energy: -140.178 flat angles C4'-P-C4' energy: -148.698 flat angles P-C4'-P energy: -92.180 tors. eta vs tors. theta energy: -59.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1023.321893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.321893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.321893 (E_RNA) where: Base-Base interactions energy: -540.222 where: short stacking energy: -289.461 Base-Backbone interact. energy: 2.830 local terms energy: -485.929081 where: bonds (distance) C4'-P energy: -153.087 bonds (distance) P-C4' energy: -132.530 flat angles C4'-P-C4' energy: -133.161 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: -15.225 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: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -755.482881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.482881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.482881 (E_RNA) where: Base-Base interactions energy: -328.341 where: short stacking energy: -187.013 Base-Backbone interact. energy: -0.026 local terms energy: -427.115681 where: bonds (distance) C4'-P energy: -134.149 bonds (distance) P-C4' energy: -131.028 flat angles C4'-P-C4' energy: -123.693 flat angles P-C4'-P energy: -67.918 tors. eta vs tors. theta energy: 29.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2915.771059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.771059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.771059 (E_RNA) where: Base-Base interactions energy: -1985.621 where: short stacking energy: -881.780 Base-Backbone interact. energy: -3.054 local terms energy: -927.096619 where: bonds (distance) C4'-P energy: -167.190 bonds (distance) P-C4' energy: -167.681 flat angles C4'-P-C4' energy: -184.973 flat angles P-C4'-P energy: -133.292 tors. eta vs tors. theta energy: -273.961 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: 2, replica: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2793.721706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.721706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.721706 (E_RNA) where: Base-Base interactions energy: -1929.431 where: short stacking energy: -826.146 Base-Backbone interact. energy: -7.318 local terms energy: -856.972250 where: bonds (distance) C4'-P energy: -145.694 bonds (distance) P-C4' energy: -164.954 flat angles C4'-P-C4' energy: -179.740 flat angles P-C4'-P energy: -122.722 tors. eta vs tors. theta energy: -243.862 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: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2692.742808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.742808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.742808 (E_RNA) where: Base-Base interactions energy: -1855.733 where: short stacking energy: -774.835 Base-Backbone interact. energy: -4.588 local terms energy: -832.422103 where: bonds (distance) C4'-P energy: -159.454 bonds (distance) P-C4' energy: -138.576 flat angles C4'-P-C4' energy: -188.010 flat angles P-C4'-P energy: -108.863 tors. eta vs tors. theta energy: -237.519 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: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2420.574910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.574910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.574910 (E_RNA) where: Base-Base interactions energy: -1641.185 where: short stacking energy: -680.282 Base-Backbone interact. energy: 0.892 local terms energy: -780.281077 where: bonds (distance) C4'-P energy: -151.884 bonds (distance) P-C4' energy: -141.450 flat angles C4'-P-C4' energy: -184.285 flat angles P-C4'-P energy: -105.305 tors. eta vs tors. theta energy: -197.358 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: 5, replica: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2276.144410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.144410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.144410 (E_RNA) where: Base-Base interactions energy: -1521.583 where: short stacking energy: -645.662 Base-Backbone interact. energy: -1.538 local terms energy: -753.023717 where: bonds (distance) C4'-P energy: -160.891 bonds (distance) P-C4' energy: -136.935 flat angles C4'-P-C4' energy: -168.814 flat angles P-C4'-P energy: -101.382 tors. eta vs tors. theta energy: -185.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2052.878523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.878523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.878523 (E_RNA) where: Base-Base interactions energy: -1341.757 where: short stacking energy: -565.500 Base-Backbone interact. energy: 2.012 local terms energy: -713.133793 where: bonds (distance) C4'-P energy: -146.736 bonds (distance) P-C4' energy: -149.502 flat angles C4'-P-C4' energy: -170.318 flat angles P-C4'-P energy: -98.921 tors. eta vs tors. theta energy: -147.656 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: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1683.989666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.989666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.989666 (E_RNA) where: Base-Base interactions energy: -1054.134 where: short stacking energy: -486.987 Base-Backbone interact. energy: 2.070 local terms energy: -631.925815 where: bonds (distance) C4'-P energy: -135.007 bonds (distance) P-C4' energy: -155.248 flat angles C4'-P-C4' energy: -132.032 flat angles P-C4'-P energy: -112.279 tors. eta vs tors. theta energy: -97.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1295.604201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.604201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.604201 (E_RNA) where: Base-Base interactions energy: -775.188 where: short stacking energy: -379.112 Base-Backbone interact. energy: 2.022 local terms energy: -522.438306 where: bonds (distance) C4'-P energy: -120.562 bonds (distance) P-C4' energy: -136.645 flat angles C4'-P-C4' energy: -146.407 flat angles P-C4'-P energy: -87.120 tors. eta vs tors. theta energy: -31.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1076.191706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.191706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.191706 (E_RNA) where: Base-Base interactions energy: -574.683 where: short stacking energy: -311.706 Base-Backbone interact. energy: 6.464 local terms energy: -507.973336 where: bonds (distance) C4'-P energy: -148.275 bonds (distance) P-C4' energy: -120.560 flat angles C4'-P-C4' energy: -131.850 flat angles P-C4'-P energy: -83.689 tors. eta vs tors. theta energy: -23.599 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: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -725.107987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.107987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.107987 (E_RNA) where: Base-Base interactions energy: -291.800 where: short stacking energy: -184.530 Base-Backbone interact. energy: 1.548 local terms energy: -434.856122 where: bonds (distance) C4'-P energy: -132.596 bonds (distance) P-C4' energy: -133.357 flat angles C4'-P-C4' energy: -107.977 flat angles P-C4'-P energy: -85.330 tors. eta vs tors. theta energy: 24.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2864.766563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.766563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.766563 (E_RNA) where: Base-Base interactions energy: -1946.663 where: short stacking energy: -864.813 Base-Backbone interact. energy: -5.087 local terms energy: -913.015866 where: bonds (distance) C4'-P energy: -168.805 bonds (distance) P-C4' energy: -173.544 flat angles C4'-P-C4' energy: -199.484 flat angles P-C4'-P energy: -105.751 tors. eta vs tors. theta energy: -265.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2816.008779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.008779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.008779 (E_RNA) where: Base-Base interactions energy: -1934.805 where: short stacking energy: -838.783 Base-Backbone interact. energy: -3.210 local terms energy: -877.993269 where: bonds (distance) C4'-P energy: -147.367 bonds (distance) P-C4' energy: -151.365 flat angles C4'-P-C4' energy: -189.482 flat angles P-C4'-P energy: -124.906 tors. eta vs tors. theta energy: -264.872 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: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2660.760317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.760317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.760317 (E_RNA) where: Base-Base interactions energy: -1834.681 where: short stacking energy: -774.910 Base-Backbone interact. energy: -2.668 local terms energy: -823.411701 where: bonds (distance) C4'-P energy: -150.737 bonds (distance) P-C4' energy: -160.097 flat angles C4'-P-C4' energy: -185.816 flat angles P-C4'-P energy: -105.749 tors. eta vs tors. theta energy: -221.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2420.572356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.572356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.572356 (E_RNA) where: Base-Base interactions energy: -1654.018 where: short stacking energy: -722.314 Base-Backbone interact. energy: -3.531 local terms energy: -763.023233 where: bonds (distance) C4'-P energy: -147.823 bonds (distance) P-C4' energy: -145.249 flat angles C4'-P-C4' energy: -164.859 flat angles P-C4'-P energy: -100.025 tors. eta vs tors. theta energy: -205.068 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: 5, replica: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2316.219174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.219174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.219174 (E_RNA) where: Base-Base interactions energy: -1562.706 where: short stacking energy: -667.081 Base-Backbone interact. energy: 2.761 local terms energy: -756.274417 where: bonds (distance) C4'-P energy: -128.690 bonds (distance) P-C4' energy: -157.700 flat angles C4'-P-C4' energy: -160.196 flat angles P-C4'-P energy: -99.176 tors. eta vs tors. theta energy: -210.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2004.284366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.284366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.284366 (E_RNA) where: Base-Base interactions energy: -1302.841 where: short stacking energy: -586.717 Base-Backbone interact. energy: -1.536 local terms energy: -699.907374 where: bonds (distance) C4'-P energy: -133.679 bonds (distance) P-C4' energy: -152.837 flat angles C4'-P-C4' energy: -152.623 flat angles P-C4'-P energy: -102.996 tors. eta vs tors. theta energy: -157.772 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: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1646.071551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.071551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.071551 (E_RNA) where: Base-Base interactions energy: -1037.784 where: short stacking energy: -446.337 Base-Backbone interact. energy: -1.033 local terms energy: -607.254462 where: bonds (distance) C4'-P energy: -125.684 bonds (distance) P-C4' energy: -152.055 flat angles C4'-P-C4' energy: -149.368 flat angles P-C4'-P energy: -95.868 tors. eta vs tors. theta energy: -84.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1266.982188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.982188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.982188 (E_RNA) where: Base-Base interactions energy: -713.863 where: short stacking energy: -345.504 Base-Backbone interact. energy: 0.019 local terms energy: -553.137710 where: bonds (distance) C4'-P energy: -120.344 bonds (distance) P-C4' energy: -142.810 flat angles C4'-P-C4' energy: -137.146 flat angles P-C4'-P energy: -94.467 tors. eta vs tors. theta energy: -58.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1022.846923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.846923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.846923 (E_RNA) where: Base-Base interactions energy: -542.377 where: short stacking energy: -282.463 Base-Backbone interact. energy: 0.647 local terms energy: -481.116994 where: bonds (distance) C4'-P energy: -122.018 bonds (distance) P-C4' energy: -142.039 flat angles C4'-P-C4' energy: -135.955 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -17.473 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: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -650.802259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.802259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.802259 (E_RNA) where: Base-Base interactions energy: -202.937 where: short stacking energy: -174.616 Base-Backbone interact. energy: -0.898 local terms energy: -446.967096 where: bonds (distance) C4'-P energy: -137.528 bonds (distance) P-C4' energy: -145.465 flat angles C4'-P-C4' energy: -106.794 flat angles P-C4'-P energy: -78.822 tors. eta vs tors. theta energy: 21.641 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: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2905.302907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.302907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.302907 (E_RNA) where: Base-Base interactions energy: -1970.459 where: short stacking energy: -865.399 Base-Backbone interact. energy: -2.522 local terms energy: -932.321567 where: bonds (distance) C4'-P energy: -165.807 bonds (distance) P-C4' energy: -184.206 flat angles C4'-P-C4' energy: -193.475 flat angles P-C4'-P energy: -124.954 tors. eta vs tors. theta energy: -263.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2804.610061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.610061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.610061 (E_RNA) where: Base-Base interactions energy: -1908.212 where: short stacking energy: -821.452 Base-Backbone interact. energy: -3.923 local terms energy: -892.474912 where: bonds (distance) C4'-P energy: -162.707 bonds (distance) P-C4' energy: -167.427 flat angles C4'-P-C4' energy: -176.372 flat angles P-C4'-P energy: -125.358 tors. eta vs tors. theta energy: -260.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2707.363879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.363879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.363879 (E_RNA) where: Base-Base interactions energy: -1848.605 where: short stacking energy: -771.259 Base-Backbone interact. energy: -1.745 local terms energy: -857.014136 where: bonds (distance) C4'-P energy: -168.992 bonds (distance) P-C4' energy: -163.882 flat angles C4'-P-C4' energy: -168.687 flat angles P-C4'-P energy: -130.443 tors. eta vs tors. theta energy: -225.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2420.568369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.568369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.568369 (E_RNA) where: Base-Base interactions energy: -1617.809 where: short stacking energy: -687.309 Base-Backbone interact. energy: -2.520 local terms energy: -800.239318 where: bonds (distance) C4'-P energy: -158.211 bonds (distance) P-C4' energy: -164.562 flat angles C4'-P-C4' energy: -171.910 flat angles P-C4'-P energy: -116.038 tors. eta vs tors. theta energy: -189.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2289.382812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.382812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.382812 (E_RNA) where: Base-Base interactions energy: -1574.517 where: short stacking energy: -686.615 Base-Backbone interact. energy: -2.669 local terms energy: -712.196121 where: bonds (distance) C4'-P energy: -122.345 bonds (distance) P-C4' energy: -144.474 flat angles C4'-P-C4' energy: -165.764 flat angles P-C4'-P energy: -85.923 tors. eta vs tors. theta energy: -193.691 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: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2055.105610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.105610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.105610 (E_RNA) where: Base-Base interactions energy: -1330.357 where: short stacking energy: -564.213 Base-Backbone interact. energy: 2.026 local terms energy: -726.773986 where: bonds (distance) C4'-P energy: -153.814 bonds (distance) P-C4' energy: -148.186 flat angles C4'-P-C4' energy: -172.572 flat angles P-C4'-P energy: -113.102 tors. eta vs tors. theta energy: -139.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1714.200150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.200150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.200150 (E_RNA) where: Base-Base interactions energy: -1105.966 where: short stacking energy: -505.525 Base-Backbone interact. energy: -0.357 local terms energy: -607.876500 where: bonds (distance) C4'-P energy: -131.017 bonds (distance) P-C4' energy: -134.111 flat angles C4'-P-C4' energy: -146.764 flat angles P-C4'-P energy: -104.134 tors. eta vs tors. theta energy: -91.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1346.272282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.272282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.272282 (E_RNA) where: Base-Base interactions energy: -805.863 where: short stacking energy: -393.737 Base-Backbone interact. energy: -2.955 local terms energy: -537.453721 where: bonds (distance) C4'-P energy: -117.407 bonds (distance) P-C4' energy: -132.965 flat angles C4'-P-C4' energy: -135.313 flat angles P-C4'-P energy: -101.644 tors. eta vs tors. theta energy: -50.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1043.190118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.190118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.190118 (E_RNA) where: Base-Base interactions energy: -563.495 where: short stacking energy: -314.659 Base-Backbone interact. energy: 0.475 local terms energy: -480.170108 where: bonds (distance) C4'-P energy: -151.835 bonds (distance) P-C4' energy: -135.475 flat angles C4'-P-C4' energy: -88.256 flat angles P-C4'-P energy: -87.080 tors. eta vs tors. theta energy: -17.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -693.884085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.884085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.884085 (E_RNA) where: Base-Base interactions energy: -254.116 where: short stacking energy: -195.679 Base-Backbone interact. energy: -0.494 local terms energy: -439.273445 where: bonds (distance) C4'-P energy: -114.662 bonds (distance) P-C4' energy: -132.933 flat angles C4'-P-C4' energy: -132.315 flat angles P-C4'-P energy: -80.548 tors. eta vs tors. theta energy: 21.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2862.000332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.000332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.000332 (E_RNA) where: Base-Base interactions energy: -1961.827 where: short stacking energy: -852.538 Base-Backbone interact. energy: -5.183 local terms energy: -894.990098 where: bonds (distance) C4'-P energy: -158.003 bonds (distance) P-C4' energy: -158.406 flat angles C4'-P-C4' energy: -200.019 flat angles P-C4'-P energy: -127.556 tors. eta vs tors. theta energy: -251.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2847.421243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.421243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.421243 (E_RNA) where: Base-Base interactions energy: -1943.438 where: short stacking energy: -849.686 Base-Backbone interact. energy: -2.108 local terms energy: -901.874848 where: bonds (distance) C4'-P energy: -162.047 bonds (distance) P-C4' energy: -159.191 flat angles C4'-P-C4' energy: -190.255 flat angles P-C4'-P energy: -123.436 tors. eta vs tors. theta energy: -266.945 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: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2778.239001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.239001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.239001 (E_RNA) where: Base-Base interactions energy: -1918.799 where: short stacking energy: -852.156 Base-Backbone interact. energy: -1.357 local terms energy: -858.083066 where: bonds (distance) C4'-P energy: -155.223 bonds (distance) P-C4' energy: -157.092 flat angles C4'-P-C4' energy: -182.916 flat angles P-C4'-P energy: -106.278 tors. eta vs tors. theta energy: -256.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2431.781523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.781523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.781523 (E_RNA) where: Base-Base interactions energy: -1612.850 where: short stacking energy: -693.057 Base-Backbone interact. energy: -2.500 local terms energy: -816.431402 where: bonds (distance) C4'-P energy: -153.092 bonds (distance) P-C4' energy: -157.724 flat angles C4'-P-C4' energy: -172.839 flat angles P-C4'-P energy: -131.441 tors. eta vs tors. theta energy: -201.336 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: 5, replica: 9 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2298.183052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.183052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.183052 (E_RNA) where: Base-Base interactions energy: -1516.836 where: short stacking energy: -681.860 Base-Backbone interact. energy: -5.220 local terms energy: -776.127611 where: bonds (distance) C4'-P energy: -155.974 bonds (distance) P-C4' energy: -158.621 flat angles C4'-P-C4' energy: -165.665 flat angles P-C4'-P energy: -92.971 tors. eta vs tors. theta energy: -202.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2014.894312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.894312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.894312 (E_RNA) where: Base-Base interactions energy: -1318.407 where: short stacking energy: -541.425 Base-Backbone interact. energy: -1.756 local terms energy: -694.731477 where: bonds (distance) C4'-P energy: -150.945 bonds (distance) P-C4' energy: -158.133 flat angles C4'-P-C4' energy: -153.655 flat angles P-C4'-P energy: -89.262 tors. eta vs tors. theta energy: -142.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1772.605479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.605479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.605479 (E_RNA) where: Base-Base interactions energy: -1147.853 where: short stacking energy: -525.333 Base-Backbone interact. energy: 1.584 local terms energy: -626.337231 where: bonds (distance) C4'-P energy: -135.850 bonds (distance) P-C4' energy: -142.460 flat angles C4'-P-C4' energy: -132.829 flat angles P-C4'-P energy: -100.259 tors. eta vs tors. theta energy: -114.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1332.534537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.534537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.534537 (E_RNA) where: Base-Base interactions energy: -760.838 where: short stacking energy: -390.180 Base-Backbone interact. energy: -0.252 local terms energy: -571.444592 where: bonds (distance) C4'-P energy: -135.875 bonds (distance) P-C4' energy: -164.556 flat angles C4'-P-C4' energy: -157.975 flat angles P-C4'-P energy: -58.816 tors. eta vs tors. theta energy: -54.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1004.159908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.159908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.159908 (E_RNA) where: Base-Base interactions energy: -509.795 where: short stacking energy: -264.956 Base-Backbone interact. energy: -3.326 local terms energy: -491.039107 where: bonds (distance) C4'-P energy: -144.710 bonds (distance) P-C4' energy: -145.908 flat angles C4'-P-C4' energy: -118.498 flat angles P-C4'-P energy: -68.618 tors. eta vs tors. theta energy: -13.305 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: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -662.367719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.367719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.367719 (E_RNA) where: Base-Base interactions energy: -281.566 where: short stacking energy: -215.160 Base-Backbone interact. energy: 1.993 local terms energy: -382.794908 where: bonds (distance) C4'-P energy: -108.215 bonds (distance) P-C4' energy: -132.818 flat angles C4'-P-C4' energy: -114.223 flat angles P-C4'-P energy: -64.805 tors. eta vs tors. theta energy: 37.266 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: 8 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2869.561233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.561233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.561233 (E_RNA) where: Base-Base interactions energy: -1964.162 where: short stacking energy: -850.416 Base-Backbone interact. energy: -3.952 local terms energy: -901.446307 where: bonds (distance) C4'-P energy: -174.651 bonds (distance) P-C4' energy: -157.385 flat angles C4'-P-C4' energy: -187.494 flat angles P-C4'-P energy: -122.137 tors. eta vs tors. theta energy: -259.778 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: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2786.125985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.125985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.125985 (E_RNA) where: Base-Base interactions energy: -1917.936 where: short stacking energy: -793.766 Base-Backbone interact. energy: -4.192 local terms energy: -863.997681 where: bonds (distance) C4'-P energy: -152.709 bonds (distance) P-C4' energy: -176.180 flat angles C4'-P-C4' energy: -177.020 flat angles P-C4'-P energy: -123.312 tors. eta vs tors. theta energy: -234.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2757.433314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.433314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.433314 (E_RNA) where: Base-Base interactions energy: -1922.117 where: short stacking energy: -801.063 Base-Backbone interact. energy: -1.628 local terms energy: -833.688669 where: bonds (distance) C4'-P energy: -152.155 bonds (distance) P-C4' energy: -146.680 flat angles C4'-P-C4' energy: -178.887 flat angles P-C4'-P energy: -102.964 tors. eta vs tors. theta energy: -253.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2420.145725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.145725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.145725 (E_RNA) where: Base-Base interactions energy: -1619.308 where: short stacking energy: -673.703 Base-Backbone interact. energy: -0.936 local terms energy: -799.901641 where: bonds (distance) C4'-P energy: -158.506 bonds (distance) P-C4' energy: -173.239 flat angles C4'-P-C4' energy: -152.838 flat angles P-C4'-P energy: -110.507 tors. eta vs tors. theta energy: -204.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2221.251979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.251979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.251979 (E_RNA) where: Base-Base interactions energy: -1462.854 where: short stacking energy: -632.927 Base-Backbone interact. energy: -3.262 local terms energy: -755.135893 where: bonds (distance) C4'-P energy: -140.585 bonds (distance) P-C4' energy: -160.099 flat angles C4'-P-C4' energy: -164.649 flat angles P-C4'-P energy: -112.692 tors. eta vs tors. theta energy: -177.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1936.791333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.791333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.791333 (E_RNA) where: Base-Base interactions energy: -1230.049 where: short stacking energy: -569.490 Base-Backbone interact. energy: -6.175 local terms energy: -700.566957 where: bonds (distance) C4'-P energy: -142.604 bonds (distance) P-C4' energy: -156.978 flat angles C4'-P-C4' energy: -158.069 flat angles P-C4'-P energy: -105.856 tors. eta vs tors. theta energy: -137.060 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: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1804.725077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.725077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.725077 (E_RNA) where: Base-Base interactions energy: -1175.772 where: short stacking energy: -540.789 Base-Backbone interact. energy: 3.121 local terms energy: -632.073893 where: bonds (distance) C4'-P energy: -127.215 bonds (distance) P-C4' energy: -138.715 flat angles C4'-P-C4' energy: -144.385 flat angles P-C4'-P energy: -96.387 tors. eta vs tors. theta energy: -125.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1379.670595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.670595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.670595 (E_RNA) where: Base-Base interactions energy: -816.114 where: short stacking energy: -416.809 Base-Backbone interact. energy: 0.970 local terms energy: -564.527390 where: bonds (distance) C4'-P energy: -129.318 bonds (distance) P-C4' energy: -146.294 flat angles C4'-P-C4' energy: -147.264 flat angles P-C4'-P energy: -64.144 tors. eta vs tors. theta energy: -77.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1057.492399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.492399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.492399 (E_RNA) where: Base-Base interactions energy: -545.975 where: short stacking energy: -263.373 Base-Backbone interact. energy: 0.863 local terms energy: -512.380231 where: bonds (distance) C4'-P energy: -136.237 bonds (distance) P-C4' energy: -156.277 flat angles C4'-P-C4' energy: -127.459 flat angles P-C4'-P energy: -75.969 tors. eta vs tors. theta energy: -16.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -626.812798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.812798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.812798 (E_RNA) where: Base-Base interactions energy: -220.421 where: short stacking energy: -165.822 Base-Backbone interact. energy: -1.885 local terms energy: -404.506684 where: bonds (distance) C4'-P energy: -125.641 bonds (distance) P-C4' energy: -150.098 flat angles C4'-P-C4' energy: -110.052 flat angles P-C4'-P energy: -53.274 tors. eta vs tors. theta energy: 34.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2896.271182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.271182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.271182 (E_RNA) where: Base-Base interactions energy: -1966.539 where: short stacking energy: -862.706 Base-Backbone interact. energy: -3.764 local terms energy: -925.968151 where: bonds (distance) C4'-P energy: -165.815 bonds (distance) P-C4' energy: -172.040 flat angles C4'-P-C4' energy: -192.720 flat angles P-C4'-P energy: -124.502 tors. eta vs tors. theta energy: -270.890 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: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2810.956687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.956687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.956687 (E_RNA) where: Base-Base interactions energy: -1924.434 where: short stacking energy: -824.751 Base-Backbone interact. energy: -4.798 local terms energy: -881.724193 where: bonds (distance) C4'-P energy: -172.445 bonds (distance) P-C4' energy: -148.358 flat angles C4'-P-C4' energy: -180.456 flat angles P-C4'-P energy: -126.551 tors. eta vs tors. theta energy: -253.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2752.572754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.572754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.572754 (E_RNA) where: Base-Base interactions energy: -1882.004 where: short stacking energy: -786.114 Base-Backbone interact. energy: -5.059 local terms energy: -865.509937 where: bonds (distance) C4'-P energy: -156.823 bonds (distance) P-C4' energy: -178.491 flat angles C4'-P-C4' energy: -180.532 flat angles P-C4'-P energy: -111.577 tors. eta vs tors. theta energy: -238.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2406.499784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.499784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.499784 (E_RNA) where: Base-Base interactions energy: -1615.439 where: short stacking energy: -692.372 Base-Backbone interact. energy: 0.623 local terms energy: -791.684576 where: bonds (distance) C4'-P energy: -137.880 bonds (distance) P-C4' energy: -150.931 flat angles C4'-P-C4' energy: -177.721 flat angles P-C4'-P energy: -116.071 tors. eta vs tors. theta energy: -209.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2209.321972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.321972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.321972 (E_RNA) where: Base-Base interactions energy: -1466.099 where: short stacking energy: -637.788 Base-Backbone interact. energy: -5.690 local terms energy: -737.532942 where: bonds (distance) C4'-P energy: -141.638 bonds (distance) P-C4' energy: -141.912 flat angles C4'-P-C4' energy: -174.509 flat angles P-C4'-P energy: -107.252 tors. eta vs tors. theta energy: -172.223 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: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1880.203343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.203343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.203343 (E_RNA) where: Base-Base interactions energy: -1186.527 where: short stacking energy: -548.523 Base-Backbone interact. energy: -4.283 local terms energy: -689.392833 where: bonds (distance) C4'-P energy: -150.681 bonds (distance) P-C4' energy: -160.627 flat angles C4'-P-C4' energy: -156.595 flat angles P-C4'-P energy: -100.717 tors. eta vs tors. theta energy: -120.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1744.820805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.820805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.820805 (E_RNA) where: Base-Base interactions energy: -1091.180 where: short stacking energy: -466.790 Base-Backbone interact. energy: -3.337 local terms energy: -650.303285 where: bonds (distance) C4'-P energy: -157.484 bonds (distance) P-C4' energy: -134.110 flat angles C4'-P-C4' energy: -146.395 flat angles P-C4'-P energy: -108.077 tors. eta vs tors. theta energy: -104.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1370.619865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.619865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.619865 (E_RNA) where: Base-Base interactions energy: -774.882 where: short stacking energy: -381.299 Base-Backbone interact. energy: -0.154 local terms energy: -595.584148 where: bonds (distance) C4'-P energy: -130.143 bonds (distance) P-C4' energy: -156.418 flat angles C4'-P-C4' energy: -151.000 flat angles P-C4'-P energy: -85.295 tors. eta vs tors. theta energy: -72.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1085.842723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.842723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.842723 (E_RNA) where: Base-Base interactions energy: -573.339 where: short stacking energy: -299.114 Base-Backbone interact. energy: 7.553 local terms energy: -520.056297 where: bonds (distance) C4'-P energy: -125.191 bonds (distance) P-C4' energy: -150.364 flat angles C4'-P-C4' energy: -126.914 flat angles P-C4'-P energy: -73.276 tors. eta vs tors. theta energy: -44.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -641.179087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.179087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.179087 (E_RNA) where: Base-Base interactions energy: -242.460 where: short stacking energy: -197.011 Base-Backbone interact. energy: 0.930 local terms energy: -399.648629 where: bonds (distance) C4'-P energy: -122.865 bonds (distance) P-C4' energy: -130.702 flat angles C4'-P-C4' energy: -120.352 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: 34.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2911.154943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.154943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.154943 (E_RNA) where: Base-Base interactions energy: -1958.825 where: short stacking energy: -866.272 Base-Backbone interact. energy: -6.944 local terms energy: -945.386426 where: bonds (distance) C4'-P energy: -166.138 bonds (distance) P-C4' energy: -174.858 flat angles C4'-P-C4' energy: -195.247 flat angles P-C4'-P energy: -139.383 tors. eta vs tors. theta energy: -269.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2815.209320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.209320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.209320 (E_RNA) where: Base-Base interactions energy: -1912.000 where: short stacking energy: -799.489 Base-Backbone interact. energy: -6.750 local terms energy: -896.459150 where: bonds (distance) C4'-P energy: -163.108 bonds (distance) P-C4' energy: -165.545 flat angles C4'-P-C4' energy: -190.485 flat angles P-C4'-P energy: -138.649 tors. eta vs tors. theta energy: -238.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2794.787282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.787282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.787282 (E_RNA) where: Base-Base interactions energy: -1918.324 where: short stacking energy: -802.586 Base-Backbone interact. energy: -3.976 local terms energy: -872.487848 where: bonds (distance) C4'-P energy: -153.059 bonds (distance) P-C4' energy: -158.422 flat angles C4'-P-C4' energy: -173.616 flat angles P-C4'-P energy: -120.215 tors. eta vs tors. theta energy: -267.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2436.423234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.423234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.423234 (E_RNA) where: Base-Base interactions energy: -1639.592 where: short stacking energy: -684.378 Base-Backbone interact. energy: -0.993 local terms energy: -795.838744 where: bonds (distance) C4'-P energy: -158.209 bonds (distance) P-C4' energy: -154.095 flat angles C4'-P-C4' energy: -181.291 flat angles P-C4'-P energy: -91.630 tors. eta vs tors. theta energy: -210.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2248.196718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.196718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.196718 (E_RNA) where: Base-Base interactions energy: -1488.451 where: short stacking energy: -646.436 Base-Backbone interact. energy: 0.185 local terms energy: -759.930169 where: bonds (distance) C4'-P energy: -142.373 bonds (distance) P-C4' energy: -151.782 flat angles C4'-P-C4' energy: -176.292 flat angles P-C4'-P energy: -119.813 tors. eta vs tors. theta energy: -169.670 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: 7 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1859.337745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.337745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.337745 (E_RNA) where: Base-Base interactions energy: -1200.770 where: short stacking energy: -538.499 Base-Backbone interact. energy: -3.302 local terms energy: -655.265571 where: bonds (distance) C4'-P energy: -140.629 bonds (distance) P-C4' energy: -133.384 flat angles C4'-P-C4' energy: -159.306 flat angles P-C4'-P energy: -92.526 tors. eta vs tors. theta energy: -129.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1740.664094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.664094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.664094 (E_RNA) where: Base-Base interactions energy: -1085.738 where: short stacking energy: -504.311 Base-Backbone interact. energy: -1.348 local terms energy: -653.577996 where: bonds (distance) C4'-P energy: -145.913 bonds (distance) P-C4' energy: -152.565 flat angles C4'-P-C4' energy: -144.051 flat angles P-C4'-P energy: -89.596 tors. eta vs tors. theta energy: -121.453 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: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1339.668020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.668020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.668020 (E_RNA) where: Base-Base interactions energy: -823.586 where: short stacking energy: -398.767 Base-Backbone interact. energy: 4.543 local terms energy: -520.625091 where: bonds (distance) C4'-P energy: -133.622 bonds (distance) P-C4' energy: -126.570 flat angles C4'-P-C4' energy: -124.553 flat angles P-C4'-P energy: -62.938 tors. eta vs tors. theta energy: -72.942 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: 10 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -984.008819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.008819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.008819 (E_RNA) where: Base-Base interactions energy: -510.128 where: short stacking energy: -280.105 Base-Backbone interact. energy: 3.071 local terms energy: -476.952391 where: bonds (distance) C4'-P energy: -128.620 bonds (distance) P-C4' energy: -147.107 flat angles C4'-P-C4' energy: -110.129 flat angles P-C4'-P energy: -76.890 tors. eta vs tors. theta energy: -14.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -651.412666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.412666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.412666 (E_RNA) where: Base-Base interactions energy: -207.041 where: short stacking energy: -161.311 Base-Backbone interact. energy: 5.296 local terms energy: -449.668169 where: bonds (distance) C4'-P energy: -138.847 bonds (distance) P-C4' energy: -153.621 flat angles C4'-P-C4' energy: -119.749 flat angles P-C4'-P energy: -80.550 tors. eta vs tors. theta energy: 43.100 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: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2888.538878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.538878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.538878 (E_RNA) where: Base-Base interactions energy: -1978.182 where: short stacking energy: -830.170 Base-Backbone interact. energy: -3.446 local terms energy: -906.910573 where: bonds (distance) C4'-P energy: -162.233 bonds (distance) P-C4' energy: -168.411 flat angles C4'-P-C4' energy: -194.860 flat angles P-C4'-P energy: -123.111 tors. eta vs tors. theta energy: -258.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2844.707513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.707513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.707513 (E_RNA) where: Base-Base interactions energy: -1900.259 where: short stacking energy: -833.266 Base-Backbone interact. energy: -3.555 local terms energy: -940.894045 where: bonds (distance) C4'-P energy: -174.361 bonds (distance) P-C4' energy: -176.381 flat angles C4'-P-C4' energy: -195.717 flat angles P-C4'-P energy: -130.642 tors. eta vs tors. theta energy: -263.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2763.643256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.643256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.643256 (E_RNA) where: Base-Base interactions energy: -1890.079 where: short stacking energy: -790.244 Base-Backbone interact. energy: -2.208 local terms energy: -871.355881 where: bonds (distance) C4'-P energy: -164.469 bonds (distance) P-C4' energy: -167.561 flat angles C4'-P-C4' energy: -177.865 flat angles P-C4'-P energy: -116.953 tors. eta vs tors. theta energy: -244.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2442.480592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.480592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.480592 (E_RNA) where: Base-Base interactions energy: -1654.277 where: short stacking energy: -671.543 Base-Backbone interact. energy: -0.638 local terms energy: -787.565845 where: bonds (distance) C4'-P energy: -162.557 bonds (distance) P-C4' energy: -161.512 flat angles C4'-P-C4' energy: -167.846 flat angles P-C4'-P energy: -104.779 tors. eta vs tors. theta energy: -190.873 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: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2310.280714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.280714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.280714 (E_RNA) where: Base-Base interactions energy: -1536.659 where: short stacking energy: -672.321 Base-Backbone interact. energy: -0.381 local terms energy: -773.240610 where: bonds (distance) C4'-P energy: -129.336 bonds (distance) P-C4' energy: -164.964 flat angles C4'-P-C4' energy: -173.253 flat angles P-C4'-P energy: -111.846 tors. eta vs tors. theta energy: -193.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1936.667894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.667894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.667894 (E_RNA) where: Base-Base interactions energy: -1235.686 where: short stacking energy: -550.079 Base-Backbone interact. energy: 2.914 local terms energy: -703.895977 where: bonds (distance) C4'-P energy: -142.856 bonds (distance) P-C4' energy: -159.017 flat angles C4'-P-C4' energy: -151.166 flat angles P-C4'-P energy: -98.314 tors. eta vs tors. theta energy: -152.543 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: 2 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1738.133310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.133310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.133310 (E_RNA) where: Base-Base interactions energy: -1116.742 where: short stacking energy: -506.154 Base-Backbone interact. energy: 1.551 local terms energy: -622.942642 where: bonds (distance) C4'-P energy: -131.106 bonds (distance) P-C4' energy: -136.251 flat angles C4'-P-C4' energy: -146.313 flat angles P-C4'-P energy: -90.581 tors. eta vs tors. theta energy: -118.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1378.075008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.075008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.075008 (E_RNA) where: Base-Base interactions energy: -800.444 where: short stacking energy: -365.746 Base-Backbone interact. energy: 0.814 local terms energy: -578.445648 where: bonds (distance) C4'-P energy: -153.856 bonds (distance) P-C4' energy: -151.036 flat angles C4'-P-C4' energy: -134.159 flat angles P-C4'-P energy: -84.442 tors. eta vs tors. theta energy: -54.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -982.352310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.352310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.352310 (E_RNA) where: Base-Base interactions energy: -500.370 where: short stacking energy: -288.409 Base-Backbone interact. energy: 0.122 local terms energy: -482.103925 where: bonds (distance) C4'-P energy: -112.618 bonds (distance) P-C4' energy: -137.501 flat angles C4'-P-C4' energy: -136.132 flat angles P-C4'-P energy: -74.878 tors. eta vs tors. theta energy: -20.974 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: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -618.445570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.445570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.445570 (E_RNA) where: Base-Base interactions energy: -209.048 where: short stacking energy: -159.213 Base-Backbone interact. energy: -1.312 local terms energy: -408.085752 where: bonds (distance) C4'-P energy: -114.132 bonds (distance) P-C4' energy: -159.882 flat angles C4'-P-C4' energy: -90.958 flat angles P-C4'-P energy: -66.578 tors. eta vs tors. theta energy: 23.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2863.334762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.334762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.334762 (E_RNA) where: Base-Base interactions energy: -1971.567 where: short stacking energy: -832.055 Base-Backbone interact. energy: -0.539 local terms energy: -891.228937 where: bonds (distance) C4'-P energy: -162.295 bonds (distance) P-C4' energy: -176.470 flat angles C4'-P-C4' energy: -183.534 flat angles P-C4'-P energy: -117.268 tors. eta vs tors. theta energy: -251.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2808.860970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.860970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.860970 (E_RNA) where: Base-Base interactions energy: -1901.481 where: short stacking energy: -844.136 Base-Backbone interact. energy: -5.477 local terms energy: -901.903623 where: bonds (distance) C4'-P energy: -161.206 bonds (distance) P-C4' energy: -159.902 flat angles C4'-P-C4' energy: -196.426 flat angles P-C4'-P energy: -121.198 tors. eta vs tors. theta energy: -263.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2754.574998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.574998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.574998 (E_RNA) where: Base-Base interactions energy: -1900.811 where: short stacking energy: -810.928 Base-Backbone interact. energy: -1.525 local terms energy: -852.238707 where: bonds (distance) C4'-P energy: -157.869 bonds (distance) P-C4' energy: -150.430 flat angles C4'-P-C4' energy: -183.547 flat angles P-C4'-P energy: -111.777 tors. eta vs tors. theta energy: -248.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2449.038740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.038740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.038740 (E_RNA) where: Base-Base interactions energy: -1702.984 where: short stacking energy: -706.707 Base-Backbone interact. energy: -5.948 local terms energy: -740.106034 where: bonds (distance) C4'-P energy: -149.993 bonds (distance) P-C4' energy: -129.498 flat angles C4'-P-C4' energy: -164.400 flat angles P-C4'-P energy: -108.067 tors. eta vs tors. theta energy: -188.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2233.315271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.315271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.315271 (E_RNA) where: Base-Base interactions energy: -1476.473 where: short stacking energy: -627.815 Base-Backbone interact. energy: -5.430 local terms energy: -751.411922 where: bonds (distance) C4'-P energy: -150.785 bonds (distance) P-C4' energy: -157.400 flat angles C4'-P-C4' energy: -169.184 flat angles P-C4'-P energy: -110.327 tors. eta vs tors. theta energy: -163.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1897.261189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.261189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.261189 (E_RNA) where: Base-Base interactions energy: -1225.937 where: short stacking energy: -541.505 Base-Backbone interact. energy: -2.902 local terms energy: -668.422200 where: bonds (distance) C4'-P energy: -134.406 bonds (distance) P-C4' energy: -154.034 flat angles C4'-P-C4' energy: -151.691 flat angles P-C4'-P energy: -91.892 tors. eta vs tors. theta energy: -136.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1710.867619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.867619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.867619 (E_RNA) where: Base-Base interactions energy: -1105.118 where: short stacking energy: -481.576 Base-Backbone interact. energy: -2.408 local terms energy: -603.341557 where: bonds (distance) C4'-P energy: -140.374 bonds (distance) P-C4' energy: -139.195 flat angles C4'-P-C4' energy: -118.320 flat angles P-C4'-P energy: -97.328 tors. eta vs tors. theta energy: -108.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1361.571077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.571077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.571077 (E_RNA) where: Base-Base interactions energy: -802.608 where: short stacking energy: -392.925 Base-Backbone interact. energy: 6.939 local terms energy: -565.902178 where: bonds (distance) C4'-P energy: -120.330 bonds (distance) P-C4' energy: -151.190 flat angles C4'-P-C4' energy: -127.309 flat angles P-C4'-P energy: -93.596 tors. eta vs tors. theta energy: -73.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1031.072900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.072900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.072900 (E_RNA) where: Base-Base interactions energy: -578.653 where: short stacking energy: -301.959 Base-Backbone interact. energy: 1.921 local terms energy: -454.341156 where: bonds (distance) C4'-P energy: -104.039 bonds (distance) P-C4' energy: -136.814 flat angles C4'-P-C4' energy: -119.794 flat angles P-C4'-P energy: -74.674 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: 10, replica: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -674.727538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.727538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.727538 (E_RNA) where: Base-Base interactions energy: -241.089 where: short stacking energy: -186.759 Base-Backbone interact. energy: 3.333 local terms energy: -436.971044 where: bonds (distance) C4'-P energy: -140.836 bonds (distance) P-C4' energy: -150.319 flat angles C4'-P-C4' energy: -94.585 flat angles P-C4'-P energy: -81.107 tors. eta vs tors. theta energy: 29.875 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: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2931.690954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.690954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.690954 (E_RNA) where: Base-Base interactions energy: -2018.417 where: short stacking energy: -868.238 Base-Backbone interact. energy: 2.207 local terms energy: -915.481630 where: bonds (distance) C4'-P energy: -170.899 bonds (distance) P-C4' energy: -165.393 flat angles C4'-P-C4' energy: -191.592 flat angles P-C4'-P energy: -125.292 tors. eta vs tors. theta energy: -262.306 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: 236 Temperature: 0.950000 Total energy: -2796.545242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.545242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.545242 (E_RNA) where: Base-Base interactions energy: -1887.589 where: short stacking energy: -807.737 Base-Backbone interact. energy: -7.351 local terms energy: -901.605479 where: bonds (distance) C4'-P energy: -161.336 bonds (distance) P-C4' energy: -170.733 flat angles C4'-P-C4' energy: -187.346 flat angles P-C4'-P energy: -130.382 tors. eta vs tors. theta energy: -251.807 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: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2764.459984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.459984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.459984 (E_RNA) where: Base-Base interactions energy: -1932.127 where: short stacking energy: -793.074 Base-Backbone interact. energy: -4.309 local terms energy: -828.024122 where: bonds (distance) C4'-P energy: -168.167 bonds (distance) P-C4' energy: -167.065 flat angles C4'-P-C4' energy: -161.302 flat angles P-C4'-P energy: -101.432 tors. eta vs tors. theta energy: -230.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2419.891766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.891766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.891766 (E_RNA) where: Base-Base interactions energy: -1636.430 where: short stacking energy: -688.759 Base-Backbone interact. energy: -1.804 local terms energy: -781.658422 where: bonds (distance) C4'-P energy: -136.245 bonds (distance) P-C4' energy: -170.108 flat angles C4'-P-C4' energy: -170.204 flat angles P-C4'-P energy: -105.190 tors. eta vs tors. theta energy: -199.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2208.776969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.776969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.776969 (E_RNA) where: Base-Base interactions energy: -1502.274 where: short stacking energy: -645.686 Base-Backbone interact. energy: -3.489 local terms energy: -703.013456 where: bonds (distance) C4'-P energy: -128.821 bonds (distance) P-C4' energy: -133.629 flat angles C4'-P-C4' energy: -165.259 flat angles P-C4'-P energy: -105.990 tors. eta vs tors. theta energy: -169.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1968.571685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.571685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.571685 (E_RNA) where: Base-Base interactions energy: -1284.883 where: short stacking energy: -597.423 Base-Backbone interact. energy: -2.422 local terms energy: -681.266548 where: bonds (distance) C4'-P energy: -144.033 bonds (distance) P-C4' energy: -133.753 flat angles C4'-P-C4' energy: -160.710 flat angles P-C4'-P energy: -85.795 tors. eta vs tors. theta energy: -156.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1744.817773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.817773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.817773 (E_RNA) where: Base-Base interactions energy: -1138.467 where: short stacking energy: -490.060 Base-Backbone interact. energy: 3.546 local terms energy: -609.896397 where: bonds (distance) C4'-P energy: -120.566 bonds (distance) P-C4' energy: -125.689 flat angles C4'-P-C4' energy: -139.189 flat angles P-C4'-P energy: -110.283 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: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1332.499009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.499009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.499009 (E_RNA) where: Base-Base interactions energy: -782.204 where: short stacking energy: -416.137 Base-Backbone interact. energy: 2.371 local terms energy: -552.666745 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -135.214 flat angles C4'-P-C4' energy: -148.987 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -64.237 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: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1053.701793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.701793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.701793 (E_RNA) where: Base-Base interactions energy: -551.868 where: short stacking energy: -287.346 Base-Backbone interact. energy: 3.360 local terms energy: -505.193941 where: bonds (distance) C4'-P energy: -141.969 bonds (distance) P-C4' energy: -133.504 flat angles C4'-P-C4' energy: -125.859 flat angles P-C4'-P energy: -84.853 tors. eta vs tors. theta energy: -19.009 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: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -661.829621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.829621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.829621 (E_RNA) where: Base-Base interactions energy: -207.741 where: short stacking energy: -174.096 Base-Backbone interact. energy: -2.453 local terms energy: -451.636070 where: bonds (distance) C4'-P energy: -126.348 bonds (distance) P-C4' energy: -148.783 flat angles C4'-P-C4' energy: -113.959 flat angles P-C4'-P energy: -76.718 tors. eta vs tors. theta energy: 14.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2901.733870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.733870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.733870 (E_RNA) where: Base-Base interactions energy: -1963.066 where: short stacking energy: -860.095 Base-Backbone interact. energy: -5.281 local terms energy: -933.386797 where: bonds (distance) C4'-P energy: -161.485 bonds (distance) P-C4' energy: -174.181 flat angles C4'-P-C4' energy: -203.958 flat angles P-C4'-P energy: -128.553 tors. eta vs tors. theta energy: -265.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2835.117438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.117438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.117438 (E_RNA) where: Base-Base interactions energy: -1970.155 where: short stacking energy: -814.674 Base-Backbone interact. energy: -5.286 local terms energy: -859.676320 where: bonds (distance) C4'-P energy: -161.024 bonds (distance) P-C4' energy: -154.621 flat angles C4'-P-C4' energy: -179.785 flat angles P-C4'-P energy: -120.025 tors. eta vs tors. theta energy: -244.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2745.644886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.644886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.644886 (E_RNA) where: Base-Base interactions energy: -1898.506 where: short stacking energy: -823.768 Base-Backbone interact. energy: -3.855 local terms energy: -843.284207 where: bonds (distance) C4'-P energy: -164.534 bonds (distance) P-C4' energy: -144.493 flat angles C4'-P-C4' energy: -178.735 flat angles P-C4'-P energy: -107.942 tors. eta vs tors. theta energy: -247.581 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: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2436.753117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.753117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.753117 (E_RNA) where: Base-Base interactions energy: -1656.877 where: short stacking energy: -731.743 Base-Backbone interact. energy: -4.627 local terms energy: -775.249159 where: bonds (distance) C4'-P energy: -143.562 bonds (distance) P-C4' energy: -134.382 flat angles C4'-P-C4' energy: -178.114 flat angles P-C4'-P energy: -98.841 tors. eta vs tors. theta energy: -220.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2220.792649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.792649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.792649 (E_RNA) where: Base-Base interactions energy: -1486.061 where: short stacking energy: -652.553 Base-Backbone interact. energy: -4.813 local terms energy: -729.918939 where: bonds (distance) C4'-P energy: -151.330 bonds (distance) P-C4' energy: -136.401 flat angles C4'-P-C4' energy: -178.373 flat angles P-C4'-P energy: -83.091 tors. eta vs tors. theta energy: -180.724 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: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1969.003335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.003335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.003335 (E_RNA) where: Base-Base interactions energy: -1282.469 where: short stacking energy: -566.677 Base-Backbone interact. energy: -2.340 local terms energy: -684.194767 where: bonds (distance) C4'-P energy: -128.022 bonds (distance) P-C4' energy: -148.393 flat angles C4'-P-C4' energy: -148.347 flat angles P-C4'-P energy: -120.304 tors. eta vs tors. theta energy: -139.128 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: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1751.996219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.996219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.996219 (E_RNA) where: Base-Base interactions energy: -1115.388 where: short stacking energy: -490.973 Base-Backbone interact. energy: -2.869 local terms energy: -633.739362 where: bonds (distance) C4'-P energy: -143.464 bonds (distance) P-C4' energy: -144.011 flat angles C4'-P-C4' energy: -155.739 flat angles P-C4'-P energy: -83.788 tors. eta vs tors. theta energy: -106.737 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: 237 Temperature: 1.250000 Total energy: -1283.980186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.980186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.980186 (E_RNA) where: Base-Base interactions energy: -710.409 where: short stacking energy: -346.938 Base-Backbone interact. energy: -3.029 local terms energy: -570.541240 where: bonds (distance) C4'-P energy: -146.503 bonds (distance) P-C4' energy: -149.697 flat angles C4'-P-C4' energy: -138.309 flat angles P-C4'-P energy: -80.529 tors. eta vs tors. theta energy: -55.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1035.328193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.328193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.328193 (E_RNA) where: Base-Base interactions energy: -554.150 where: short stacking energy: -296.248 Base-Backbone interact. energy: -3.577 local terms energy: -477.601945 where: bonds (distance) C4'-P energy: -115.951 bonds (distance) P-C4' energy: -149.641 flat angles C4'-P-C4' energy: -140.229 flat angles P-C4'-P energy: -68.482 tors. eta vs tors. theta energy: -3.299 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: 10, replica: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -643.387820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.387820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.387820 (E_RNA) where: Base-Base interactions energy: -263.241 where: short stacking energy: -219.408 Base-Backbone interact. energy: 5.014 local terms energy: -385.160462 where: bonds (distance) C4'-P energy: -107.073 bonds (distance) P-C4' energy: -121.533 flat angles C4'-P-C4' energy: -113.686 flat angles P-C4'-P energy: -58.479 tors. eta vs tors. theta energy: 15.609 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: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2876.455427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.455427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.455427 (E_RNA) where: Base-Base interactions energy: -1964.268 where: short stacking energy: -868.875 Base-Backbone interact. energy: -1.430 local terms energy: -910.757321 where: bonds (distance) C4'-P energy: -160.373 bonds (distance) P-C4' energy: -164.552 flat angles C4'-P-C4' energy: -189.613 flat angles P-C4'-P energy: -132.051 tors. eta vs tors. theta energy: -264.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2848.035764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.035764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.035764 (E_RNA) where: Base-Base interactions energy: -1936.242 where: short stacking energy: -815.037 Base-Backbone interact. energy: -5.031 local terms energy: -906.763638 where: bonds (distance) C4'-P energy: -183.476 bonds (distance) P-C4' energy: -165.446 flat angles C4'-P-C4' energy: -184.719 flat angles P-C4'-P energy: -122.684 tors. eta vs tors. theta energy: -250.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2733.460453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.460453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.460453 (E_RNA) where: Base-Base interactions energy: -1880.991 where: short stacking energy: -800.154 Base-Backbone interact. energy: -5.932 local terms energy: -846.536980 where: bonds (distance) C4'-P energy: -156.722 bonds (distance) P-C4' energy: -148.253 flat angles C4'-P-C4' energy: -176.797 flat angles P-C4'-P energy: -115.301 tors. eta vs tors. theta energy: -249.464 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: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2409.180430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.180430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.180430 (E_RNA) where: Base-Base interactions energy: -1626.726 where: short stacking energy: -672.313 Base-Backbone interact. energy: 3.669 local terms energy: -786.123562 where: bonds (distance) C4'-P energy: -147.502 bonds (distance) P-C4' energy: -158.728 flat angles C4'-P-C4' energy: -170.125 flat angles P-C4'-P energy: -109.057 tors. eta vs tors. theta energy: -200.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2203.443603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.443603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.443603 (E_RNA) where: Base-Base interactions energy: -1509.225 where: short stacking energy: -625.656 Base-Backbone interact. energy: 0.325 local terms energy: -694.543541 where: bonds (distance) C4'-P energy: -145.825 bonds (distance) P-C4' energy: -138.802 flat angles C4'-P-C4' energy: -140.714 flat angles P-C4'-P energy: -92.712 tors. eta vs tors. theta energy: -176.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1958.300531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.300531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.300531 (E_RNA) where: Base-Base interactions energy: -1244.892 where: short stacking energy: -579.090 Base-Backbone interact. energy: -0.490 local terms energy: -712.918953 where: bonds (distance) C4'-P energy: -127.387 bonds (distance) P-C4' energy: -154.668 flat angles C4'-P-C4' energy: -163.814 flat angles P-C4'-P energy: -102.935 tors. eta vs tors. theta energy: -164.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1771.050181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.050181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.050181 (E_RNA) where: Base-Base interactions energy: -1122.306 where: short stacking energy: -503.125 Base-Backbone interact. energy: 1.322 local terms energy: -650.066265 where: bonds (distance) C4'-P energy: -127.518 bonds (distance) P-C4' energy: -168.101 flat angles C4'-P-C4' energy: -158.191 flat angles P-C4'-P energy: -79.089 tors. eta vs tors. theta energy: -117.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1355.993915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.993915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.993915 (E_RNA) where: Base-Base interactions energy: -789.955 where: short stacking energy: -385.279 Base-Backbone interact. energy: 2.383 local terms energy: -568.422197 where: bonds (distance) C4'-P energy: -129.303 bonds (distance) P-C4' energy: -167.086 flat angles C4'-P-C4' energy: -136.022 flat angles P-C4'-P energy: -81.680 tors. eta vs tors. theta energy: -54.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1080.208391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.208391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.208391 (E_RNA) where: Base-Base interactions energy: -579.131 where: short stacking energy: -301.771 Base-Backbone interact. energy: 1.546 local terms energy: -502.623963 where: bonds (distance) C4'-P energy: -121.862 bonds (distance) P-C4' energy: -150.382 flat angles C4'-P-C4' energy: -115.655 flat angles P-C4'-P energy: -80.477 tors. eta vs tors. theta energy: -34.247 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: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -651.440482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.440482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.440482 (E_RNA) where: Base-Base interactions energy: -224.913 where: short stacking energy: -157.633 Base-Backbone interact. energy: -0.177 local terms energy: -426.350410 where: bonds (distance) C4'-P energy: -136.618 bonds (distance) P-C4' energy: -150.183 flat angles C4'-P-C4' energy: -104.543 flat angles P-C4'-P energy: -70.085 tors. eta vs tors. theta energy: 35.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2855.999099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.999099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.999099 (E_RNA) where: Base-Base interactions energy: -1945.459 where: short stacking energy: -840.619 Base-Backbone interact. energy: -4.639 local terms energy: -905.900849 where: bonds (distance) C4'-P energy: -161.876 bonds (distance) P-C4' energy: -159.282 flat angles C4'-P-C4' energy: -199.931 flat angles P-C4'-P energy: -126.694 tors. eta vs tors. theta energy: -258.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2810.586600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.586600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.586600 (E_RNA) where: Base-Base interactions energy: -1939.266 where: short stacking energy: -815.981 Base-Backbone interact. energy: -3.987 local terms energy: -867.332775 where: bonds (distance) C4'-P energy: -154.936 bonds (distance) P-C4' energy: -160.443 flat angles C4'-P-C4' energy: -182.303 flat angles P-C4'-P energy: -120.256 tors. eta vs tors. theta energy: -249.395 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: 239 Temperature: 1.000000 Total energy: -2672.505964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.505964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.505964 (E_RNA) where: Base-Base interactions energy: -1800.392 where: short stacking energy: -791.362 Base-Backbone interact. energy: -2.768 local terms energy: -869.346285 where: bonds (distance) C4'-P energy: -169.534 bonds (distance) P-C4' energy: -157.153 flat angles C4'-P-C4' energy: -174.829 flat angles P-C4'-P energy: -125.922 tors. eta vs tors. theta energy: -241.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2445.875012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.875012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.875012 (E_RNA) where: Base-Base interactions energy: -1657.954 where: short stacking energy: -701.109 Base-Backbone interact. energy: -4.275 local terms energy: -783.646521 where: bonds (distance) C4'-P energy: -139.373 bonds (distance) P-C4' energy: -151.925 flat angles C4'-P-C4' energy: -160.041 flat angles P-C4'-P energy: -117.036 tors. eta vs tors. theta energy: -215.271 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: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2174.147540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.147540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.147540 (E_RNA) where: Base-Base interactions energy: -1440.750 where: short stacking energy: -653.956 Base-Backbone interact. energy: -2.963 local terms energy: -730.435396 where: bonds (distance) C4'-P energy: -110.256 bonds (distance) P-C4' energy: -152.786 flat angles C4'-P-C4' energy: -177.490 flat angles P-C4'-P energy: -106.889 tors. eta vs tors. theta energy: -183.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1904.902509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.902509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.902509 (E_RNA) where: Base-Base interactions energy: -1207.893 where: short stacking energy: -553.127 Base-Backbone interact. energy: -0.432 local terms energy: -696.577422 where: bonds (distance) C4'-P energy: -136.819 bonds (distance) P-C4' energy: -149.596 flat angles C4'-P-C4' energy: -144.781 flat angles P-C4'-P energy: -115.947 tors. eta vs tors. theta energy: -149.435 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: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1875.757935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.757935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.757935 (E_RNA) where: Base-Base interactions energy: -1216.536 where: short stacking energy: -540.340 Base-Backbone interact. energy: -2.886 local terms energy: -656.335753 where: bonds (distance) C4'-P energy: -145.756 bonds (distance) P-C4' energy: -137.138 flat angles C4'-P-C4' energy: -152.391 flat angles P-C4'-P energy: -100.079 tors. eta vs tors. theta energy: -120.972 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: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1341.133784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.133784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.133784 (E_RNA) where: Base-Base interactions energy: -798.728 where: short stacking energy: -384.863 Base-Backbone interact. energy: 0.574 local terms energy: -542.979944 where: bonds (distance) C4'-P energy: -132.991 bonds (distance) P-C4' energy: -146.813 flat angles C4'-P-C4' energy: -133.183 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -45.724 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: 239 Temperature: 1.300000 Total energy: -1080.502542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.502542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.502542 (E_RNA) where: Base-Base interactions energy: -605.176 where: short stacking energy: -330.091 Base-Backbone interact. energy: 0.751 local terms energy: -476.078099 where: bonds (distance) C4'-P energy: -118.735 bonds (distance) P-C4' energy: -148.869 flat angles C4'-P-C4' energy: -123.528 flat angles P-C4'-P energy: -63.805 tors. eta vs tors. theta energy: -21.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -632.206811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.206811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.206811 (E_RNA) where: Base-Base interactions energy: -226.477 where: short stacking energy: -172.365 Base-Backbone interact. energy: 4.825 local terms energy: -410.554994 where: bonds (distance) C4'-P energy: -142.905 bonds (distance) P-C4' energy: -145.574 flat angles C4'-P-C4' energy: -104.835 flat angles P-C4'-P energy: -51.418 tors. eta vs tors. theta energy: 34.177 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: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2894.072997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.072997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.072997 (E_RNA) where: Base-Base interactions energy: -1948.298 where: short stacking energy: -854.202 Base-Backbone interact. energy: -2.716 local terms energy: -943.058659 where: bonds (distance) C4'-P energy: -163.556 bonds (distance) P-C4' energy: -176.515 flat angles C4'-P-C4' energy: -196.226 flat angles P-C4'-P energy: -134.538 tors. eta vs tors. theta energy: -272.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2837.261265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.261265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.261265 (E_RNA) where: Base-Base interactions energy: -1958.583 where: short stacking energy: -832.798 Base-Backbone interact. energy: -5.374 local terms energy: -873.304464 where: bonds (distance) C4'-P energy: -157.454 bonds (distance) P-C4' energy: -160.533 flat angles C4'-P-C4' energy: -180.835 flat angles P-C4'-P energy: -120.774 tors. eta vs tors. theta energy: -253.707 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: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2735.696919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.696919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.696919 (E_RNA) where: Base-Base interactions energy: -1848.441 where: short stacking energy: -807.827 Base-Backbone interact. energy: -3.149 local terms energy: -884.107616 where: bonds (distance) C4'-P energy: -155.954 bonds (distance) P-C4' energy: -172.343 flat angles C4'-P-C4' energy: -186.573 flat angles P-C4'-P energy: -122.879 tors. eta vs tors. theta energy: -246.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2490.859485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.859485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.859485 (E_RNA) where: Base-Base interactions energy: -1686.048 where: short stacking energy: -724.471 Base-Backbone interact. energy: -1.762 local terms energy: -803.049577 where: bonds (distance) C4'-P energy: -131.313 bonds (distance) P-C4' energy: -162.031 flat angles C4'-P-C4' energy: -169.224 flat angles P-C4'-P energy: -117.258 tors. eta vs tors. theta energy: -223.224 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: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2268.048153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.048153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.048153 (E_RNA) where: Base-Base interactions energy: -1498.535 where: short stacking energy: -682.151 Base-Backbone interact. energy: 1.784 local terms energy: -771.297588 where: bonds (distance) C4'-P energy: -151.418 bonds (distance) P-C4' energy: -145.957 flat angles C4'-P-C4' energy: -165.361 flat angles P-C4'-P energy: -107.271 tors. eta vs tors. theta energy: -201.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1922.809437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.809437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.809437 (E_RNA) where: Base-Base interactions energy: -1255.725 where: short stacking energy: -547.754 Base-Backbone interact. energy: -3.187 local terms energy: -663.897099 where: bonds (distance) C4'-P energy: -148.550 bonds (distance) P-C4' energy: -135.487 flat angles C4'-P-C4' energy: -156.307 flat angles P-C4'-P energy: -95.947 tors. eta vs tors. theta energy: -127.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1918.599015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.599015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.599015 (E_RNA) where: Base-Base interactions energy: -1259.053 where: short stacking energy: -583.166 Base-Backbone interact. energy: -3.295 local terms energy: -656.250703 where: bonds (distance) C4'-P energy: -133.919 bonds (distance) P-C4' energy: -148.293 flat angles C4'-P-C4' energy: -135.624 flat angles P-C4'-P energy: -86.288 tors. eta vs tors. theta energy: -152.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1407.390719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.390719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.390719 (E_RNA) where: Base-Base interactions energy: -845.593 where: short stacking energy: -412.039 Base-Backbone interact. energy: -1.886 local terms energy: -559.911486 where: bonds (distance) C4'-P energy: -147.362 bonds (distance) P-C4' energy: -136.100 flat angles C4'-P-C4' energy: -137.858 flat angles P-C4'-P energy: -65.102 tors. eta vs tors. theta energy: -73.489 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: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -992.249638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.249638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.249638 (E_RNA) where: Base-Base interactions energy: -489.468 where: short stacking energy: -249.648 Base-Backbone interact. energy: -2.549 local terms energy: -500.232971 where: bonds (distance) C4'-P energy: -151.349 bonds (distance) P-C4' energy: -139.523 flat angles C4'-P-C4' energy: -127.726 flat angles P-C4'-P energy: -80.146 tors. eta vs tors. theta energy: -1.489 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: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -641.445320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.445320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.445320 (E_RNA) where: Base-Base interactions energy: -194.901 where: short stacking energy: -169.738 Base-Backbone interact. energy: 2.348 local terms energy: -448.891905 where: bonds (distance) C4'-P energy: -129.247 bonds (distance) P-C4' energy: -152.124 flat angles C4'-P-C4' energy: -125.406 flat angles P-C4'-P energy: -71.225 tors. eta vs tors. theta energy: 29.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2889.626925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.626925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.626925 (E_RNA) where: Base-Base interactions energy: -1951.973 where: short stacking energy: -862.639 Base-Backbone interact. energy: -1.827 local terms energy: -935.827404 where: bonds (distance) C4'-P energy: -173.542 bonds (distance) P-C4' energy: -175.419 flat angles C4'-P-C4' energy: -191.717 flat angles P-C4'-P energy: -135.106 tors. eta vs tors. theta energy: -260.043 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: 2, replica: 1 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2850.742032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.742032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.742032 (E_RNA) where: Base-Base interactions energy: -1948.884 where: short stacking energy: -798.835 Base-Backbone interact. energy: -3.093 local terms energy: -898.765011 where: bonds (distance) C4'-P energy: -163.155 bonds (distance) P-C4' energy: -158.370 flat angles C4'-P-C4' energy: -193.622 flat angles P-C4'-P energy: -129.826 tors. eta vs tors. theta energy: -253.792 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: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2697.754704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.754704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.754704 (E_RNA) where: Base-Base interactions energy: -1860.015 where: short stacking energy: -800.343 Base-Backbone interact. energy: -2.840 local terms energy: -834.899440 where: bonds (distance) C4'-P energy: -139.486 bonds (distance) P-C4' energy: -169.459 flat angles C4'-P-C4' energy: -159.930 flat angles P-C4'-P energy: -113.329 tors. eta vs tors. theta energy: -252.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2445.426183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.426183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.426183 (E_RNA) where: Base-Base interactions energy: -1644.619 where: short stacking energy: -731.873 Base-Backbone interact. energy: -4.263 local terms energy: -796.543398 where: bonds (distance) C4'-P energy: -141.707 bonds (distance) P-C4' energy: -162.829 flat angles C4'-P-C4' energy: -164.768 flat angles P-C4'-P energy: -115.440 tors. eta vs tors. theta energy: -211.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2292.940146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.940146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.940146 (E_RNA) where: Base-Base interactions energy: -1520.156 where: short stacking energy: -690.108 Base-Backbone interact. energy: -0.931 local terms energy: -771.853171 where: bonds (distance) C4'-P energy: -148.023 bonds (distance) P-C4' energy: -159.949 flat angles C4'-P-C4' energy: -159.531 flat angles P-C4'-P energy: -111.626 tors. eta vs tors. theta energy: -192.724 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: 6, replica: 7 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1931.183779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.183779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.183779 (E_RNA) where: Base-Base interactions energy: -1261.773 where: short stacking energy: -539.372 Base-Backbone interact. energy: 1.209 local terms energy: -670.619457 where: bonds (distance) C4'-P energy: -161.887 bonds (distance) P-C4' energy: -129.688 flat angles C4'-P-C4' energy: -162.231 flat angles P-C4'-P energy: -85.149 tors. eta vs tors. theta energy: -131.664 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: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1940.017980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.017980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.017980 (E_RNA) where: Base-Base interactions energy: -1302.143 where: short stacking energy: -566.989 Base-Backbone interact. energy: -2.391 local terms energy: -635.483920 where: bonds (distance) C4'-P energy: -135.847 bonds (distance) P-C4' energy: -131.692 flat angles C4'-P-C4' energy: -138.984 flat angles P-C4'-P energy: -98.729 tors. eta vs tors. theta energy: -130.232 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: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1392.959214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.959214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.959214 (E_RNA) where: Base-Base interactions energy: -804.048 where: short stacking energy: -421.530 Base-Backbone interact. energy: -1.906 local terms energy: -587.005339 where: bonds (distance) C4'-P energy: -145.483 bonds (distance) P-C4' energy: -152.016 flat angles C4'-P-C4' energy: -142.383 flat angles P-C4'-P energy: -85.184 tors. eta vs tors. theta energy: -61.939 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: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1038.136288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.136288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.136288 (E_RNA) where: Base-Base interactions energy: -575.349 where: short stacking energy: -323.410 Base-Backbone interact. energy: -1.748 local terms energy: -461.039242 where: bonds (distance) C4'-P energy: -119.092 bonds (distance) P-C4' energy: -125.959 flat angles C4'-P-C4' energy: -132.200 flat angles P-C4'-P energy: -71.468 tors. eta vs tors. theta energy: -12.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -623.417033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.417033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.417033 (E_RNA) where: Base-Base interactions energy: -235.270 where: short stacking energy: -177.038 Base-Backbone interact. energy: 1.306 local terms energy: -389.453374 where: bonds (distance) C4'-P energy: -124.140 bonds (distance) P-C4' energy: -141.365 flat angles C4'-P-C4' energy: -109.079 flat angles P-C4'-P energy: -57.481 tors. eta vs tors. theta energy: 42.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2896.764385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.764385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.764385 (E_RNA) where: Base-Base interactions energy: -1988.723 where: short stacking energy: -844.734 Base-Backbone interact. energy: -3.984 local terms energy: -904.056694 where: bonds (distance) C4'-P energy: -161.228 bonds (distance) P-C4' energy: -163.504 flat angles C4'-P-C4' energy: -193.307 flat angles P-C4'-P energy: -131.361 tors. eta vs tors. theta energy: -254.657 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: 1 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2849.506123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.506123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.506123 (E_RNA) where: Base-Base interactions energy: -1971.696 where: short stacking energy: -820.054 Base-Backbone interact. energy: -3.785 local terms energy: -874.024542 where: bonds (distance) C4'-P energy: -165.253 bonds (distance) P-C4' energy: -159.501 flat angles C4'-P-C4' energy: -177.642 flat angles P-C4'-P energy: -116.816 tors. eta vs tors. theta energy: -254.812 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: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2723.918842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.918842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.918842 (E_RNA) where: Base-Base interactions energy: -1866.179 where: short stacking energy: -817.223 Base-Backbone interact. energy: -2.627 local terms energy: -855.113305 where: bonds (distance) C4'-P energy: -161.601 bonds (distance) P-C4' energy: -132.975 flat angles C4'-P-C4' energy: -188.278 flat angles P-C4'-P energy: -116.664 tors. eta vs tors. theta energy: -255.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2527.928117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.928117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.928117 (E_RNA) where: Base-Base interactions energy: -1712.488 where: short stacking energy: -723.657 Base-Backbone interact. energy: -0.526 local terms energy: -814.914028 where: bonds (distance) C4'-P energy: -144.749 bonds (distance) P-C4' energy: -168.639 flat angles C4'-P-C4' energy: -176.442 flat angles P-C4'-P energy: -108.227 tors. eta vs tors. theta energy: -216.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2250.891254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.891254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.891254 (E_RNA) where: Base-Base interactions energy: -1517.444 where: short stacking energy: -648.219 Base-Backbone interact. energy: -1.960 local terms energy: -731.487457 where: bonds (distance) C4'-P energy: -139.635 bonds (distance) P-C4' energy: -147.928 flat angles C4'-P-C4' energy: -150.454 flat angles P-C4'-P energy: -122.252 tors. eta vs tors. theta energy: -171.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1889.824484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.824484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.824484 (E_RNA) where: Base-Base interactions energy: -1238.646 where: short stacking energy: -515.094 Base-Backbone interact. energy: 3.500 local terms energy: -654.679055 where: bonds (distance) C4'-P energy: -110.338 bonds (distance) P-C4' energy: -167.062 flat angles C4'-P-C4' energy: -171.512 flat angles P-C4'-P energy: -94.033 tors. eta vs tors. theta energy: -111.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1885.808857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.808857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.808857 (E_RNA) where: Base-Base interactions energy: -1244.256 where: short stacking energy: -568.867 Base-Backbone interact. energy: -0.808 local terms energy: -640.744952 where: bonds (distance) C4'-P energy: -133.470 bonds (distance) P-C4' energy: -133.971 flat angles C4'-P-C4' energy: -140.774 flat angles P-C4'-P energy: -98.710 tors. eta vs tors. theta energy: -133.819 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: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1399.468312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.468312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.468312 (E_RNA) where: Base-Base interactions energy: -842.951 where: short stacking energy: -391.885 Base-Backbone interact. energy: 1.682 local terms energy: -558.199622 where: bonds (distance) C4'-P energy: -136.296 bonds (distance) P-C4' energy: -153.087 flat angles C4'-P-C4' energy: -129.703 flat angles P-C4'-P energy: -79.850 tors. eta vs tors. theta energy: -59.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1052.492663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.492663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.492663 (E_RNA) where: Base-Base interactions energy: -566.366 where: short stacking energy: -289.058 Base-Backbone interact. energy: -3.956 local terms energy: -482.171445 where: bonds (distance) C4'-P energy: -127.017 bonds (distance) P-C4' energy: -139.533 flat angles C4'-P-C4' energy: -123.738 flat angles P-C4'-P energy: -84.969 tors. eta vs tors. theta energy: -6.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -651.901398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.901398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.901398 (E_RNA) where: Base-Base interactions energy: -262.853 where: short stacking energy: -178.048 Base-Backbone interact. energy: 0.735 local terms energy: -389.782658 where: bonds (distance) C4'-P energy: -129.661 bonds (distance) P-C4' energy: -126.273 flat angles C4'-P-C4' energy: -112.560 flat angles P-C4'-P energy: -64.713 tors. eta vs tors. theta energy: 43.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2872.206866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.206866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.206866 (E_RNA) where: Base-Base interactions energy: -1962.004 where: short stacking energy: -856.098 Base-Backbone interact. energy: -1.504 local terms energy: -908.698881 where: bonds (distance) C4'-P energy: -160.337 bonds (distance) P-C4' energy: -173.750 flat angles C4'-P-C4' energy: -194.032 flat angles P-C4'-P energy: -124.092 tors. eta vs tors. theta energy: -256.488 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: 1 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2815.558090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.558090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.558090 (E_RNA) where: Base-Base interactions energy: -1935.402 where: short stacking energy: -805.666 Base-Backbone interact. energy: -3.241 local terms energy: -876.915262 where: bonds (distance) C4'-P energy: -165.163 bonds (distance) P-C4' energy: -156.814 flat angles C4'-P-C4' energy: -188.495 flat angles P-C4'-P energy: -118.674 tors. eta vs tors. theta energy: -247.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2722.276904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.276904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.276904 (E_RNA) where: Base-Base interactions energy: -1823.175 where: short stacking energy: -826.297 Base-Backbone interact. energy: 1.857 local terms energy: -900.958587 where: bonds (distance) C4'-P energy: -167.099 bonds (distance) P-C4' energy: -153.895 flat angles C4'-P-C4' energy: -187.481 flat angles P-C4'-P energy: -125.687 tors. eta vs tors. theta energy: -266.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2482.075200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.075200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.075200 (E_RNA) where: Base-Base interactions energy: -1661.482 where: short stacking energy: -688.665 Base-Backbone interact. energy: -6.937 local terms energy: -813.656031 where: bonds (distance) C4'-P energy: -161.154 bonds (distance) P-C4' energy: -158.075 flat angles C4'-P-C4' energy: -183.028 flat angles P-C4'-P energy: -107.823 tors. eta vs tors. theta energy: -203.576 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: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2243.409268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.409268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.409268 (E_RNA) where: Base-Base interactions energy: -1486.785 where: short stacking energy: -653.023 Base-Backbone interact. energy: -2.523 local terms energy: -754.101835 where: bonds (distance) C4'-P energy: -146.336 bonds (distance) P-C4' energy: -166.099 flat angles C4'-P-C4' energy: -149.366 flat angles P-C4'-P energy: -108.199 tors. eta vs tors. theta energy: -184.102 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: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1929.705378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.705378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.705378 (E_RNA) where: Base-Base interactions energy: -1253.094 where: short stacking energy: -576.148 Base-Backbone interact. energy: -4.547 local terms energy: -672.064539 where: bonds (distance) C4'-P energy: -135.857 bonds (distance) P-C4' energy: -171.824 flat angles C4'-P-C4' energy: -151.184 flat angles P-C4'-P energy: -86.150 tors. eta vs tors. theta energy: -127.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1901.061092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.061092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.061092 (E_RNA) where: Base-Base interactions energy: -1238.443 where: short stacking energy: -565.758 Base-Backbone interact. energy: -1.987 local terms energy: -660.631298 where: bonds (distance) C4'-P energy: -156.809 bonds (distance) P-C4' energy: -135.340 flat angles C4'-P-C4' energy: -162.245 flat angles P-C4'-P energy: -83.202 tors. eta vs tors. theta energy: -123.035 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: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1426.120272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.120272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.120272 (E_RNA) where: Base-Base interactions energy: -824.843 where: short stacking energy: -407.756 Base-Backbone interact. energy: -2.870 local terms energy: -598.407446 where: bonds (distance) C4'-P energy: -143.662 bonds (distance) P-C4' energy: -136.704 flat angles C4'-P-C4' energy: -147.219 flat angles P-C4'-P energy: -85.501 tors. eta vs tors. theta energy: -85.322 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: 243 Temperature: 1.300000 Total energy: -1011.157662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.157662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.157662 (E_RNA) where: Base-Base interactions energy: -539.352 where: short stacking energy: -274.782 Base-Backbone interact. energy: -0.666 local terms energy: -471.139168 where: bonds (distance) C4'-P energy: -110.229 bonds (distance) P-C4' energy: -139.505 flat angles C4'-P-C4' energy: -131.476 flat angles P-C4'-P energy: -85.283 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -654.408740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.408740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.408740 (E_RNA) where: Base-Base interactions energy: -219.421 where: short stacking energy: -178.748 Base-Backbone interact. energy: -2.942 local terms energy: -432.045737 where: bonds (distance) C4'-P energy: -137.767 bonds (distance) P-C4' energy: -150.190 flat angles C4'-P-C4' energy: -105.388 flat angles P-C4'-P energy: -70.223 tors. eta vs tors. theta energy: 31.523 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: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2861.161726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.161726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.161726 (E_RNA) where: Base-Base interactions energy: -1949.460 where: short stacking energy: -859.752 Base-Backbone interact. energy: -2.661 local terms energy: -909.041135 where: bonds (distance) C4'-P energy: -161.823 bonds (distance) P-C4' energy: -167.620 flat angles C4'-P-C4' energy: -193.022 flat angles P-C4'-P energy: -131.483 tors. eta vs tors. theta energy: -255.093 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: 244 Temperature: 0.950000 Total energy: -2839.415568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.415568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.415568 (E_RNA) where: Base-Base interactions energy: -1937.039 where: short stacking energy: -806.550 Base-Backbone interact. energy: -0.053 local terms energy: -902.323298 where: bonds (distance) C4'-P energy: -175.175 bonds (distance) P-C4' energy: -155.106 flat angles C4'-P-C4' energy: -191.502 flat angles P-C4'-P energy: -125.379 tors. eta vs tors. theta energy: -255.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2707.319055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.319055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.319055 (E_RNA) where: Base-Base interactions energy: -1843.064 where: short stacking energy: -815.392 Base-Backbone interact. energy: -2.375 local terms energy: -861.880137 where: bonds (distance) C4'-P energy: -158.219 bonds (distance) P-C4' energy: -164.450 flat angles C4'-P-C4' energy: -173.778 flat angles P-C4'-P energy: -114.331 tors. eta vs tors. theta energy: -251.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2515.436252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.436252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.436252 (E_RNA) where: Base-Base interactions energy: -1766.671 where: short stacking energy: -754.469 Base-Backbone interact. energy: 4.297 local terms energy: -753.062348 where: bonds (distance) C4'-P energy: -148.678 bonds (distance) P-C4' energy: -118.571 flat angles C4'-P-C4' energy: -164.523 flat angles P-C4'-P energy: -103.335 tors. eta vs tors. theta energy: -217.955 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: 5, replica: 9 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2248.711842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.711842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.711842 (E_RNA) where: Base-Base interactions energy: -1479.518 where: short stacking energy: -639.280 Base-Backbone interact. energy: -3.451 local terms energy: -765.742592 where: bonds (distance) C4'-P energy: -133.615 bonds (distance) P-C4' energy: -160.614 flat angles C4'-P-C4' energy: -173.555 flat angles P-C4'-P energy: -109.492 tors. eta vs tors. theta energy: -188.468 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: 7 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1972.796946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.796946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.796946 (E_RNA) where: Base-Base interactions energy: -1283.242 where: short stacking energy: -570.602 Base-Backbone interact. energy: -4.361 local terms energy: -685.194482 where: bonds (distance) C4'-P energy: -140.973 bonds (distance) P-C4' energy: -150.576 flat angles C4'-P-C4' energy: -151.056 flat angles P-C4'-P energy: -92.617 tors. eta vs tors. theta energy: -149.973 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: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1873.532030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.532030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.532030 (E_RNA) where: Base-Base interactions energy: -1240.477 where: short stacking energy: -533.514 Base-Backbone interact. energy: -2.670 local terms energy: -630.384378 where: bonds (distance) C4'-P energy: -151.761 bonds (distance) P-C4' energy: -141.956 flat angles C4'-P-C4' energy: -126.374 flat angles P-C4'-P energy: -87.077 tors. eta vs tors. theta energy: -123.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1390.195592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.195592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.195592 (E_RNA) where: Base-Base interactions energy: -837.518 where: short stacking energy: -405.821 Base-Backbone interact. energy: -2.594 local terms energy: -550.083943 where: bonds (distance) C4'-P energy: -120.901 bonds (distance) P-C4' energy: -146.555 flat angles C4'-P-C4' energy: -129.539 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -88.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1049.896702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.896702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.896702 (E_RNA) where: Base-Base interactions energy: -559.563 where: short stacking energy: -272.849 Base-Backbone interact. energy: -3.211 local terms energy: -487.122464 where: bonds (distance) C4'-P energy: -116.851 bonds (distance) P-C4' energy: -148.260 flat angles C4'-P-C4' energy: -138.780 flat angles P-C4'-P energy: -78.702 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -637.651846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.651846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.651846 (E_RNA) where: Base-Base interactions energy: -213.408 where: short stacking energy: -164.020 Base-Backbone interact. energy: 3.204 local terms energy: -427.447121 where: bonds (distance) C4'-P energy: -132.751 bonds (distance) P-C4' energy: -154.327 flat angles C4'-P-C4' energy: -112.481 flat angles P-C4'-P energy: -68.016 tors. eta vs tors. theta energy: 40.127 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: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2844.954987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.954987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.954987 (E_RNA) where: Base-Base interactions energy: -1953.302 where: short stacking energy: -822.489 Base-Backbone interact. energy: -3.450 local terms energy: -888.203171 where: bonds (distance) C4'-P energy: -148.886 bonds (distance) P-C4' energy: -171.488 flat angles C4'-P-C4' energy: -189.524 flat angles P-C4'-P energy: -129.026 tors. eta vs tors. theta energy: -249.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2867.194098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.194098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.194098 (E_RNA) where: Base-Base interactions energy: -1963.025 where: short stacking energy: -837.725 Base-Backbone interact. energy: -5.323 local terms energy: -898.845184 where: bonds (distance) C4'-P energy: -164.030 bonds (distance) P-C4' energy: -167.879 flat angles C4'-P-C4' energy: -182.112 flat angles P-C4'-P energy: -122.209 tors. eta vs tors. theta energy: -262.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2689.109139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.109139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.109139 (E_RNA) where: Base-Base interactions energy: -1830.877 where: short stacking energy: -798.463 Base-Backbone interact. energy: -2.978 local terms energy: -855.254864 where: bonds (distance) C4'-P energy: -163.568 bonds (distance) P-C4' energy: -157.666 flat angles C4'-P-C4' energy: -172.284 flat angles P-C4'-P energy: -125.903 tors. eta vs tors. theta energy: -235.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2498.798157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.798157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.798157 (E_RNA) where: Base-Base interactions energy: -1675.761 where: short stacking energy: -738.168 Base-Backbone interact. energy: -2.916 local terms energy: -820.121322 where: bonds (distance) C4'-P energy: -161.298 bonds (distance) P-C4' energy: -175.681 flat angles C4'-P-C4' energy: -169.480 flat angles P-C4'-P energy: -102.735 tors. eta vs tors. theta energy: -210.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2158.105787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.105787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.105787 (E_RNA) where: Base-Base interactions energy: -1402.535 where: short stacking energy: -603.394 Base-Backbone interact. energy: 3.924 local terms energy: -759.495009 where: bonds (distance) C4'-P energy: -159.669 bonds (distance) P-C4' energy: -158.848 flat angles C4'-P-C4' energy: -167.179 flat angles P-C4'-P energy: -101.135 tors. eta vs tors. theta energy: -172.663 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: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1985.750083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.750083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.750083 (E_RNA) where: Base-Base interactions energy: -1338.837 where: short stacking energy: -600.195 Base-Backbone interact. energy: -0.619 local terms energy: -646.294098 where: bonds (distance) C4'-P energy: -130.156 bonds (distance) P-C4' energy: -142.009 flat angles C4'-P-C4' energy: -151.886 flat angles P-C4'-P energy: -77.183 tors. eta vs tors. theta energy: -145.060 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: 7, replica: 2 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1835.185396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.185396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.185396 (E_RNA) where: Base-Base interactions energy: -1222.334 where: short stacking energy: -516.689 Base-Backbone interact. energy: -1.114 local terms energy: -611.738104 where: bonds (distance) C4'-P energy: -134.480 bonds (distance) P-C4' energy: -134.016 flat angles C4'-P-C4' energy: -147.632 flat angles P-C4'-P energy: -98.646 tors. eta vs tors. theta energy: -96.964 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: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1460.772442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.772442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.772442 (E_RNA) where: Base-Base interactions energy: -880.231 where: short stacking energy: -436.336 Base-Backbone interact. energy: -1.940 local terms energy: -578.600943 where: bonds (distance) C4'-P energy: -126.653 bonds (distance) P-C4' energy: -140.569 flat angles C4'-P-C4' energy: -140.915 flat angles P-C4'-P energy: -89.594 tors. eta vs tors. theta energy: -80.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1124.837762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.837762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.837762 (E_RNA) where: Base-Base interactions energy: -646.266 where: short stacking energy: -316.566 Base-Backbone interact. energy: -0.973 local terms energy: -477.599649 where: bonds (distance) C4'-P energy: -138.241 bonds (distance) P-C4' energy: -132.386 flat angles C4'-P-C4' energy: -125.327 flat angles P-C4'-P energy: -71.533 tors. eta vs tors. theta energy: -10.113 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: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -723.793611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.793611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.793611 (E_RNA) where: Base-Base interactions energy: -281.695 where: short stacking energy: -197.940 Base-Backbone interact. energy: 0.816 local terms energy: -442.914835 where: bonds (distance) C4'-P energy: -122.774 bonds (distance) P-C4' energy: -159.614 flat angles C4'-P-C4' energy: -119.032 flat angles P-C4'-P energy: -77.925 tors. eta vs tors. theta energy: 36.431 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: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2938.777117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.777117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.777117 (E_RNA) where: Base-Base interactions energy: -2014.948 where: short stacking energy: -854.198 Base-Backbone interact. energy: -5.466 local terms energy: -918.362554 where: bonds (distance) C4'-P energy: -170.487 bonds (distance) P-C4' energy: -167.859 flat angles C4'-P-C4' energy: -193.099 flat angles P-C4'-P energy: -121.198 tors. eta vs tors. theta energy: -265.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2805.856228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.856228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.856228 (E_RNA) where: Base-Base interactions energy: -1926.093 where: short stacking energy: -798.008 Base-Backbone interact. energy: -2.388 local terms energy: -877.375136 where: bonds (distance) C4'-P energy: -163.074 bonds (distance) P-C4' energy: -161.457 flat angles C4'-P-C4' energy: -179.480 flat angles P-C4'-P energy: -126.536 tors. eta vs tors. theta energy: -246.828 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: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2699.848977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.848977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.848977 (E_RNA) where: Base-Base interactions energy: -1852.730 where: short stacking energy: -785.100 Base-Backbone interact. energy: 0.252 local terms energy: -847.371208 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -161.934 flat angles C4'-P-C4' energy: -196.160 flat angles P-C4'-P energy: -116.393 tors. eta vs tors. theta energy: -244.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2544.946547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.946547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.946547 (E_RNA) where: Base-Base interactions energy: -1740.989 where: short stacking energy: -731.600 Base-Backbone interact. energy: -2.669 local terms energy: -801.288903 where: bonds (distance) C4'-P energy: -120.952 bonds (distance) P-C4' energy: -156.734 flat angles C4'-P-C4' energy: -166.022 flat angles P-C4'-P energy: -136.824 tors. eta vs tors. theta energy: -220.757 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: 9 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2224.868673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.868673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.868673 (E_RNA) where: Base-Base interactions energy: -1495.558 where: short stacking energy: -660.899 Base-Backbone interact. energy: 1.853 local terms energy: -731.163726 where: bonds (distance) C4'-P energy: -136.792 bonds (distance) P-C4' energy: -159.943 flat angles C4'-P-C4' energy: -160.206 flat angles P-C4'-P energy: -93.808 tors. eta vs tors. theta energy: -180.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1922.846765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.846765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.846765 (E_RNA) where: Base-Base interactions energy: -1223.751 where: short stacking energy: -556.099 Base-Backbone interact. energy: 0.947 local terms energy: -700.041964 where: bonds (distance) C4'-P energy: -135.143 bonds (distance) P-C4' energy: -157.950 flat angles C4'-P-C4' energy: -165.491 flat angles P-C4'-P energy: -98.230 tors. eta vs tors. theta energy: -143.228 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: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1900.768337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.768337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.768337 (E_RNA) where: Base-Base interactions energy: -1258.933 where: short stacking energy: -545.475 Base-Backbone interact. energy: -4.766 local terms energy: -637.068929 where: bonds (distance) C4'-P energy: -149.558 bonds (distance) P-C4' energy: -137.467 flat angles C4'-P-C4' energy: -141.974 flat angles P-C4'-P energy: -79.483 tors. eta vs tors. theta energy: -128.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1459.681451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.681451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.681451 (E_RNA) where: Base-Base interactions energy: -912.782 where: short stacking energy: -417.893 Base-Backbone interact. energy: -2.129 local terms energy: -544.770372 where: bonds (distance) C4'-P energy: -120.919 bonds (distance) P-C4' energy: -121.598 flat angles C4'-P-C4' energy: -132.518 flat angles P-C4'-P energy: -87.214 tors. eta vs tors. theta energy: -82.521 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: 9, replica: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1188.184539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.184539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.184539 (E_RNA) where: Base-Base interactions energy: -678.106 where: short stacking energy: -319.142 Base-Backbone interact. energy: 3.326 local terms energy: -513.404176 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -145.730 flat angles C4'-P-C4' energy: -128.475 flat angles P-C4'-P energy: -83.658 tors. eta vs tors. theta energy: -29.461 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: 4 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -616.245757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.245757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.245757 (E_RNA) where: Base-Base interactions energy: -241.351 where: short stacking energy: -172.886 Base-Backbone interact. energy: 6.201 local terms energy: -381.095918 where: bonds (distance) C4'-P energy: -120.939 bonds (distance) P-C4' energy: -144.587 flat angles C4'-P-C4' energy: -110.500 flat angles P-C4'-P energy: -46.036 tors. eta vs tors. theta energy: 40.966 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: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2938.049869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.049869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.049869 (E_RNA) where: Base-Base interactions energy: -2000.847 where: short stacking energy: -837.246 Base-Backbone interact. energy: -7.275 local terms energy: -929.927560 where: bonds (distance) C4'-P energy: -169.837 bonds (distance) P-C4' energy: -177.462 flat angles C4'-P-C4' energy: -190.937 flat angles P-C4'-P energy: -134.207 tors. eta vs tors. theta energy: -257.485 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: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2815.165785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.165785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.165785 (E_RNA) where: Base-Base interactions energy: -1920.711 where: short stacking energy: -810.800 Base-Backbone interact. energy: -1.569 local terms energy: -892.885904 where: bonds (distance) C4'-P energy: -162.762 bonds (distance) P-C4' energy: -151.839 flat angles C4'-P-C4' energy: -187.589 flat angles P-C4'-P energy: -137.106 tors. eta vs tors. theta energy: -253.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2673.526427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.526427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.526427 (E_RNA) where: Base-Base interactions energy: -1824.458 where: short stacking energy: -815.206 Base-Backbone interact. energy: 0.558 local terms energy: -849.626753 where: bonds (distance) C4'-P energy: -144.440 bonds (distance) P-C4' energy: -157.956 flat angles C4'-P-C4' energy: -179.948 flat angles P-C4'-P energy: -115.085 tors. eta vs tors. theta energy: -252.198 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: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2544.614280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.614280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.614280 (E_RNA) where: Base-Base interactions energy: -1743.317 where: short stacking energy: -739.498 Base-Backbone interact. energy: -5.693 local terms energy: -795.603875 where: bonds (distance) C4'-P energy: -152.916 bonds (distance) P-C4' energy: -160.990 flat angles C4'-P-C4' energy: -178.078 flat angles P-C4'-P energy: -99.069 tors. eta vs tors. theta energy: -204.551 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: 9 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2305.203037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.203037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.203037 (E_RNA) where: Base-Base interactions energy: -1558.054 where: short stacking energy: -672.612 Base-Backbone interact. energy: 0.340 local terms energy: -747.489261 where: bonds (distance) C4'-P energy: -138.360 bonds (distance) P-C4' energy: -153.904 flat angles C4'-P-C4' energy: -166.909 flat angles P-C4'-P energy: -110.755 tors. eta vs tors. theta energy: -177.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1917.425243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.425243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.425243 (E_RNA) where: Base-Base interactions energy: -1264.244 where: short stacking energy: -523.111 Base-Backbone interact. energy: -3.342 local terms energy: -649.839375 where: bonds (distance) C4'-P energy: -145.567 bonds (distance) P-C4' energy: -142.014 flat angles C4'-P-C4' energy: -139.821 flat angles P-C4'-P energy: -91.006 tors. eta vs tors. theta energy: -131.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1930.482592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.482592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.482592 (E_RNA) where: Base-Base interactions energy: -1267.745 where: short stacking energy: -556.093 Base-Backbone interact. energy: -3.730 local terms energy: -659.007686 where: bonds (distance) C4'-P energy: -148.862 bonds (distance) P-C4' energy: -140.046 flat angles C4'-P-C4' energy: -138.854 flat angles P-C4'-P energy: -103.292 tors. eta vs tors. theta energy: -127.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1387.802582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.802582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.802582 (E_RNA) where: Base-Base interactions energy: -830.026 where: short stacking energy: -394.317 Base-Backbone interact. energy: -0.808 local terms energy: -556.968645 where: bonds (distance) C4'-P energy: -136.414 bonds (distance) P-C4' energy: -135.005 flat angles C4'-P-C4' energy: -139.069 flat angles P-C4'-P energy: -92.453 tors. eta vs tors. theta energy: -54.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1175.891041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.891041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.891041 (E_RNA) where: Base-Base interactions energy: -698.095 where: short stacking energy: -322.933 Base-Backbone interact. energy: -2.737 local terms energy: -475.059248 where: bonds (distance) C4'-P energy: -94.038 bonds (distance) P-C4' energy: -139.332 flat angles C4'-P-C4' energy: -125.629 flat angles P-C4'-P energy: -76.276 tors. eta vs tors. theta energy: -39.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -637.760107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.760107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.760107 (E_RNA) where: Base-Base interactions energy: -234.743 where: short stacking energy: -192.316 Base-Backbone interact. energy: 9.620 local terms energy: -412.637597 where: bonds (distance) C4'-P energy: -145.148 bonds (distance) P-C4' energy: -141.420 flat angles C4'-P-C4' energy: -78.674 flat angles P-C4'-P energy: -75.695 tors. eta vs tors. theta energy: 28.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2858.435302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.435302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.435302 (E_RNA) where: Base-Base interactions energy: -1970.443 where: short stacking energy: -836.764 Base-Backbone interact. energy: 2.166 local terms energy: -890.158212 where: bonds (distance) C4'-P energy: -157.070 bonds (distance) P-C4' energy: -162.578 flat angles C4'-P-C4' energy: -182.860 flat angles P-C4'-P energy: -131.914 tors. eta vs tors. theta energy: -255.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2868.894046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.894046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.894046 (E_RNA) where: Base-Base interactions energy: -1967.424 where: short stacking energy: -839.688 Base-Backbone interact. energy: -2.614 local terms energy: -898.856642 where: bonds (distance) C4'-P energy: -148.047 bonds (distance) P-C4' energy: -170.036 flat angles C4'-P-C4' energy: -189.104 flat angles P-C4'-P energy: -126.779 tors. eta vs tors. theta energy: -264.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2681.157137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.157137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.157137 (E_RNA) where: Base-Base interactions energy: -1830.002 where: short stacking energy: -792.592 Base-Backbone interact. energy: -4.214 local terms energy: -846.941714 where: bonds (distance) C4'-P energy: -160.229 bonds (distance) P-C4' energy: -167.103 flat angles C4'-P-C4' energy: -173.502 flat angles P-C4'-P energy: -107.986 tors. eta vs tors. theta energy: -238.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2543.714672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.714672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.714672 (E_RNA) where: Base-Base interactions energy: -1732.797 where: short stacking energy: -734.194 Base-Backbone interact. energy: 1.436 local terms energy: -812.352839 where: bonds (distance) C4'-P energy: -146.229 bonds (distance) P-C4' energy: -147.237 flat angles C4'-P-C4' energy: -183.913 flat angles P-C4'-P energy: -118.690 tors. eta vs tors. theta energy: -216.284 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: 9 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2282.184865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.184865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.184865 (E_RNA) where: Base-Base interactions energy: -1523.046 where: short stacking energy: -667.098 Base-Backbone interact. energy: -2.115 local terms energy: -757.023784 where: bonds (distance) C4'-P energy: -145.639 bonds (distance) P-C4' energy: -156.983 flat angles C4'-P-C4' energy: -159.737 flat angles P-C4'-P energy: -95.523 tors. eta vs tors. theta energy: -199.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1917.937432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.937432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.937432 (E_RNA) where: Base-Base interactions energy: -1227.579 where: short stacking energy: -545.042 Base-Backbone interact. energy: 1.715 local terms energy: -692.073961 where: bonds (distance) C4'-P energy: -135.333 bonds (distance) P-C4' energy: -149.503 flat angles C4'-P-C4' energy: -156.118 flat angles P-C4'-P energy: -112.684 tors. eta vs tors. theta energy: -138.435 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: 2 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1912.538598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.538598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.538598 (E_RNA) where: Base-Base interactions energy: -1291.459 where: short stacking energy: -558.206 Base-Backbone interact. energy: 3.080 local terms energy: -624.159127 where: bonds (distance) C4'-P energy: -118.583 bonds (distance) P-C4' energy: -132.728 flat angles C4'-P-C4' energy: -146.976 flat angles P-C4'-P energy: -99.816 tors. eta vs tors. theta energy: -126.057 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: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1423.040843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.040843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.040843 (E_RNA) where: Base-Base interactions energy: -836.847 where: short stacking energy: -394.225 Base-Backbone interact. energy: -1.832 local terms energy: -584.361306 where: bonds (distance) C4'-P energy: -147.386 bonds (distance) P-C4' energy: -148.844 flat angles C4'-P-C4' energy: -140.148 flat angles P-C4'-P energy: -83.236 tors. eta vs tors. theta energy: -64.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1171.023342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.023342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.023342 (E_RNA) where: Base-Base interactions energy: -664.350 where: short stacking energy: -335.260 Base-Backbone interact. energy: 0.285 local terms energy: -506.958523 where: bonds (distance) C4'-P energy: -123.843 bonds (distance) P-C4' energy: -121.690 flat angles C4'-P-C4' energy: -122.442 flat angles P-C4'-P energy: -76.633 tors. eta vs tors. theta energy: -62.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -619.499886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.499886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.499886 (E_RNA) where: Base-Base interactions energy: -215.315 where: short stacking energy: -175.489 Base-Backbone interact. energy: 5.919 local terms energy: -410.104198 where: bonds (distance) C4'-P energy: -127.625 bonds (distance) P-C4' energy: -126.457 flat angles C4'-P-C4' energy: -126.953 flat angles P-C4'-P energy: -58.365 tors. eta vs tors. theta energy: 29.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2871.344493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.344493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.344493 (E_RNA) where: Base-Base interactions energy: -1963.666 where: short stacking energy: -858.829 Base-Backbone interact. energy: -3.526 local terms energy: -904.151954 where: bonds (distance) C4'-P energy: -171.387 bonds (distance) P-C4' energy: -169.073 flat angles C4'-P-C4' energy: -195.778 flat angles P-C4'-P energy: -110.273 tors. eta vs tors. theta energy: -257.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2847.137951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.137951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.137951 (E_RNA) where: Base-Base interactions energy: -1984.881 where: short stacking energy: -806.483 Base-Backbone interact. energy: -4.010 local terms energy: -858.246142 where: bonds (distance) C4'-P energy: -137.581 bonds (distance) P-C4' energy: -150.963 flat angles C4'-P-C4' energy: -187.953 flat angles P-C4'-P energy: -126.362 tors. eta vs tors. theta energy: -255.387 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: 249 Temperature: 1.000000 Total energy: -2708.326279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.326279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.326279 (E_RNA) where: Base-Base interactions energy: -1875.762 where: short stacking energy: -793.333 Base-Backbone interact. energy: -5.213 local terms energy: -827.351063 where: bonds (distance) C4'-P energy: -147.750 bonds (distance) P-C4' energy: -146.844 flat angles C4'-P-C4' energy: -166.276 flat angles P-C4'-P energy: -118.344 tors. eta vs tors. theta energy: -248.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2511.476905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.476905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.476905 (E_RNA) where: Base-Base interactions energy: -1736.621 where: short stacking energy: -713.335 Base-Backbone interact. energy: -1.436 local terms energy: -773.420233 where: bonds (distance) C4'-P energy: -151.794 bonds (distance) P-C4' energy: -131.374 flat angles C4'-P-C4' energy: -164.836 flat angles P-C4'-P energy: -115.166 tors. eta vs tors. theta energy: -210.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2252.649976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.649976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.649976 (E_RNA) where: Base-Base interactions energy: -1507.411 where: short stacking energy: -650.968 Base-Backbone interact. energy: -3.397 local terms energy: -741.841649 where: bonds (distance) C4'-P energy: -138.506 bonds (distance) P-C4' energy: -147.507 flat angles C4'-P-C4' energy: -166.579 flat angles P-C4'-P energy: -109.516 tors. eta vs tors. theta energy: -179.733 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: 6, replica: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1897.055791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.055791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.055791 (E_RNA) where: Base-Base interactions energy: -1237.533 where: short stacking energy: -582.758 Base-Backbone interact. energy: -1.898 local terms energy: -657.624179 where: bonds (distance) C4'-P energy: -128.325 bonds (distance) P-C4' energy: -142.020 flat angles C4'-P-C4' energy: -143.004 flat angles P-C4'-P energy: -95.974 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: 7, replica: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1929.588036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.588036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.588036 (E_RNA) where: Base-Base interactions energy: -1258.954 where: short stacking energy: -525.185 Base-Backbone interact. energy: -4.198 local terms energy: -666.436180 where: bonds (distance) C4'-P energy: -139.418 bonds (distance) P-C4' energy: -125.083 flat angles C4'-P-C4' energy: -166.987 flat angles P-C4'-P energy: -103.059 tors. eta vs tors. theta energy: -131.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1397.274635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.274635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.274635 (E_RNA) where: Base-Base interactions energy: -838.061 where: short stacking energy: -391.820 Base-Backbone interact. energy: 4.271 local terms energy: -563.484599 where: bonds (distance) C4'-P energy: -125.029 bonds (distance) P-C4' energy: -159.855 flat angles C4'-P-C4' energy: -136.594 flat angles P-C4'-P energy: -81.827 tors. eta vs tors. theta energy: -60.181 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: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1119.544823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.544823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.544823 (E_RNA) where: Base-Base interactions energy: -627.232 where: short stacking energy: -318.080 Base-Backbone interact. energy: 0.946 local terms energy: -493.258562 where: bonds (distance) C4'-P energy: -132.868 bonds (distance) P-C4' energy: -134.702 flat angles C4'-P-C4' energy: -125.466 flat angles P-C4'-P energy: -80.310 tors. eta vs tors. theta energy: -19.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -659.929510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.929510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.929510 (E_RNA) where: Base-Base interactions energy: -266.978 where: short stacking energy: -205.250 Base-Backbone interact. energy: 8.182 local terms energy: -401.132927 where: bonds (distance) C4'-P energy: -148.653 bonds (distance) P-C4' energy: -132.029 flat angles C4'-P-C4' energy: -100.058 flat angles P-C4'-P energy: -44.738 tors. eta vs tors. theta energy: 24.345 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: 1, replica: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2872.755044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.755044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.755044 (E_RNA) where: Base-Base interactions energy: -1964.474 where: short stacking energy: -833.685 Base-Backbone interact. energy: -4.100 local terms energy: -904.181522 where: bonds (distance) C4'-P energy: -160.537 bonds (distance) P-C4' energy: -155.655 flat angles C4'-P-C4' energy: -198.588 flat angles P-C4'-P energy: -131.359 tors. eta vs tors. theta energy: -258.043 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: 2, replica: 1 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2852.369296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.369296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.369296 (E_RNA) where: Base-Base interactions energy: -1956.434 where: short stacking energy: -823.594 Base-Backbone interact. energy: -5.368 local terms energy: -890.566721 where: bonds (distance) C4'-P energy: -159.589 bonds (distance) P-C4' energy: -141.135 flat angles C4'-P-C4' energy: -192.455 flat angles P-C4'-P energy: -135.213 tors. eta vs tors. theta energy: -262.175 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: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2698.890278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.890278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.890278 (E_RNA) where: Base-Base interactions energy: -1852.457 where: short stacking energy: -794.716 Base-Backbone interact. energy: -4.747 local terms energy: -841.686108 where: bonds (distance) C4'-P energy: -156.232 bonds (distance) P-C4' energy: -160.586 flat angles C4'-P-C4' energy: -182.933 flat angles P-C4'-P energy: -112.881 tors. eta vs tors. theta energy: -229.054 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: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2494.393257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.393257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.393257 (E_RNA) where: Base-Base interactions energy: -1714.980 where: short stacking energy: -699.052 Base-Backbone interact. energy: -5.404 local terms energy: -774.008947 where: bonds (distance) C4'-P energy: -132.517 bonds (distance) P-C4' energy: -158.173 flat angles C4'-P-C4' energy: -180.155 flat angles P-C4'-P energy: -107.411 tors. eta vs tors. theta energy: -195.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2212.757744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.757744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.757744 (E_RNA) where: Base-Base interactions energy: -1510.166 where: short stacking energy: -624.272 Base-Backbone interact. energy: -2.728 local terms energy: -699.863355 where: bonds (distance) C4'-P energy: -133.329 bonds (distance) P-C4' energy: -138.322 flat angles C4'-P-C4' energy: -163.408 flat angles P-C4'-P energy: -84.671 tors. eta vs tors. theta energy: -180.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1852.357576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.357576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.357576 (E_RNA) where: Base-Base interactions energy: -1164.516 where: short stacking energy: -516.079 Base-Backbone interact. energy: -0.411 local terms energy: -687.430645 where: bonds (distance) C4'-P energy: -137.015 bonds (distance) P-C4' energy: -149.335 flat angles C4'-P-C4' energy: -164.013 flat angles P-C4'-P energy: -109.395 tors. eta vs tors. theta energy: -127.673 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: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1855.932319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.932319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.932319 (E_RNA) where: Base-Base interactions energy: -1221.781 where: short stacking energy: -534.865 Base-Backbone interact. energy: 0.454 local terms energy: -634.605181 where: bonds (distance) C4'-P energy: -134.893 bonds (distance) P-C4' energy: -128.030 flat angles C4'-P-C4' energy: -161.400 flat angles P-C4'-P energy: -89.844 tors. eta vs tors. theta energy: -120.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1366.797107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.797107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.797107 (E_RNA) where: Base-Base interactions energy: -865.030 where: short stacking energy: -404.657 Base-Backbone interact. energy: -2.913 local terms energy: -498.853782 where: bonds (distance) C4'-P energy: -107.511 bonds (distance) P-C4' energy: -125.404 flat angles C4'-P-C4' energy: -123.502 flat angles P-C4'-P energy: -66.101 tors. eta vs tors. theta energy: -76.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1140.884817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.884817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.884817 (E_RNA) where: Base-Base interactions energy: -645.420 where: short stacking energy: -321.278 Base-Backbone interact. energy: 4.794 local terms energy: -500.258986 where: bonds (distance) C4'-P energy: -137.586 bonds (distance) P-C4' energy: -133.728 flat angles C4'-P-C4' energy: -126.176 flat angles P-C4'-P energy: -74.059 tors. eta vs tors. theta energy: -28.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -587.432859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.432859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.432859 (E_RNA) where: Base-Base interactions energy: -187.468 where: short stacking energy: -158.266 Base-Backbone interact. energy: 4.843 local terms energy: -404.808190 where: bonds (distance) C4'-P energy: -137.642 bonds (distance) P-C4' energy: -136.610 flat angles C4'-P-C4' energy: -103.070 flat angles P-C4'-P energy: -67.755 tors. eta vs tors. theta energy: 40.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2927.129290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.129290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.129290 (E_RNA) where: Base-Base interactions energy: -2007.323 where: short stacking energy: -841.760 Base-Backbone interact. energy: -2.223 local terms energy: -917.583285 where: bonds (distance) C4'-P energy: -160.978 bonds (distance) P-C4' energy: -186.758 flat angles C4'-P-C4' energy: -192.018 flat angles P-C4'-P energy: -123.344 tors. eta vs tors. theta energy: -254.485 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: 2, replica: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2866.497032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.497032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.497032 (E_RNA) where: Base-Base interactions energy: -1955.242 where: short stacking energy: -821.147 Base-Backbone interact. energy: -3.087 local terms energy: -908.167985 where: bonds (distance) C4'-P energy: -154.905 bonds (distance) P-C4' energy: -171.130 flat angles C4'-P-C4' energy: -197.687 flat angles P-C4'-P energy: -122.470 tors. eta vs tors. theta energy: -261.975 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: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2713.417644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.417644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.417644 (E_RNA) where: Base-Base interactions energy: -1871.824 where: short stacking energy: -803.926 Base-Backbone interact. energy: -3.095 local terms energy: -838.498439 where: bonds (distance) C4'-P energy: -147.477 bonds (distance) P-C4' energy: -157.210 flat angles C4'-P-C4' energy: -170.140 flat angles P-C4'-P energy: -121.576 tors. eta vs tors. theta energy: -242.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2473.124202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.124202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.124202 (E_RNA) where: Base-Base interactions energy: -1699.953 where: short stacking energy: -706.634 Base-Backbone interact. energy: 2.318 local terms energy: -775.489576 where: bonds (distance) C4'-P energy: -131.603 bonds (distance) P-C4' energy: -161.230 flat angles C4'-P-C4' energy: -175.920 flat angles P-C4'-P energy: -97.195 tors. eta vs tors. theta energy: -209.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2258.454744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.454744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.454744 (E_RNA) where: Base-Base interactions energy: -1529.053 where: short stacking energy: -655.719 Base-Backbone interact. energy: -1.252 local terms energy: -728.149727 where: bonds (distance) C4'-P energy: -147.008 bonds (distance) P-C4' energy: -135.136 flat angles C4'-P-C4' energy: -159.910 flat angles P-C4'-P energy: -107.814 tors. eta vs tors. theta energy: -178.282 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: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2080.282355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.282355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.282355 (E_RNA) where: Base-Base interactions energy: -1399.298 where: short stacking energy: -624.163 Base-Backbone interact. energy: -4.404 local terms energy: -676.580439 where: bonds (distance) C4'-P energy: -140.931 bonds (distance) P-C4' energy: -135.907 flat angles C4'-P-C4' energy: -160.707 flat angles P-C4'-P energy: -91.852 tors. eta vs tors. theta energy: -147.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1812.709229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.709229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.709229 (E_RNA) where: Base-Base interactions energy: -1168.568 where: short stacking energy: -541.742 Base-Backbone interact. energy: 2.323 local terms energy: -646.464051 where: bonds (distance) C4'-P energy: -147.816 bonds (distance) P-C4' energy: -150.133 flat angles C4'-P-C4' energy: -150.643 flat angles P-C4'-P energy: -72.342 tors. eta vs tors. theta energy: -125.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1368.767479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.767479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.767479 (E_RNA) where: Base-Base interactions energy: -847.218 where: short stacking energy: -395.058 Base-Backbone interact. energy: 0.284 local terms energy: -521.832792 where: bonds (distance) C4'-P energy: -132.000 bonds (distance) P-C4' energy: -153.186 flat angles C4'-P-C4' energy: -136.306 flat angles P-C4'-P energy: -56.795 tors. eta vs tors. theta energy: -43.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1149.429095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.429095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.429095 (E_RNA) where: Base-Base interactions energy: -646.203 where: short stacking energy: -320.071 Base-Backbone interact. energy: 1.224 local terms energy: -504.450348 where: bonds (distance) C4'-P energy: -128.797 bonds (distance) P-C4' energy: -156.402 flat angles C4'-P-C4' energy: -149.025 flat angles P-C4'-P energy: -57.781 tors. eta vs tors. theta energy: -12.445 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: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -638.940948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.940948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.940948 (E_RNA) where: Base-Base interactions energy: -225.300 where: short stacking energy: -178.258 Base-Backbone interact. energy: 9.163 local terms energy: -422.804011 where: bonds (distance) C4'-P energy: -121.503 bonds (distance) P-C4' energy: -159.946 flat angles C4'-P-C4' energy: -108.657 flat angles P-C4'-P energy: -53.096 tors. eta vs tors. theta energy: 20.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2905.567412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.567412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.567412 (E_RNA) where: Base-Base interactions energy: -1975.574 where: short stacking energy: -837.808 Base-Backbone interact. energy: -5.280 local terms energy: -924.713055 where: bonds (distance) C4'-P energy: -157.315 bonds (distance) P-C4' energy: -185.334 flat angles C4'-P-C4' energy: -187.666 flat angles P-C4'-P energy: -132.379 tors. eta vs tors. theta energy: -262.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2827.374225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.374225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.374225 (E_RNA) where: Base-Base interactions energy: -1959.073 where: short stacking energy: -826.890 Base-Backbone interact. energy: -5.480 local terms energy: -862.821084 where: bonds (distance) C4'-P energy: -162.484 bonds (distance) P-C4' energy: -150.320 flat angles C4'-P-C4' energy: -178.491 flat angles P-C4'-P energy: -122.733 tors. eta vs tors. theta energy: -248.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2696.275335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.275335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.275335 (E_RNA) where: Base-Base interactions energy: -1816.869 where: short stacking energy: -768.731 Base-Backbone interact. energy: -4.696 local terms energy: -874.710498 where: bonds (distance) C4'-P energy: -154.799 bonds (distance) P-C4' energy: -171.565 flat angles C4'-P-C4' energy: -181.955 flat angles P-C4'-P energy: -123.565 tors. eta vs tors. theta energy: -242.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2463.218021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.218021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.218021 (E_RNA) where: Base-Base interactions energy: -1667.905 where: short stacking energy: -714.735 Base-Backbone interact. energy: 4.304 local terms energy: -799.617083 where: bonds (distance) C4'-P energy: -160.068 bonds (distance) P-C4' energy: -155.360 flat angles C4'-P-C4' energy: -172.518 flat angles P-C4'-P energy: -103.281 tors. eta vs tors. theta energy: -208.390 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: 9 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2206.643741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.643741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.643741 (E_RNA) where: Base-Base interactions energy: -1487.565 where: short stacking energy: -685.788 Base-Backbone interact. energy: -1.134 local terms energy: -717.944297 where: bonds (distance) C4'-P energy: -138.142 bonds (distance) P-C4' energy: -146.584 flat angles C4'-P-C4' energy: -160.761 flat angles P-C4'-P energy: -94.407 tors. eta vs tors. theta energy: -178.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2003.193879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.193879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.193879 (E_RNA) where: Base-Base interactions energy: -1319.864 where: short stacking energy: -579.542 Base-Backbone interact. energy: -0.655 local terms energy: -682.675394 where: bonds (distance) C4'-P energy: -136.663 bonds (distance) P-C4' energy: -138.112 flat angles C4'-P-C4' energy: -161.114 flat angles P-C4'-P energy: -101.983 tors. eta vs tors. theta energy: -144.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1692.106866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.106866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.106866 (E_RNA) where: Base-Base interactions energy: -1094.713 where: short stacking energy: -496.161 Base-Backbone interact. energy: 1.635 local terms energy: -599.028188 where: bonds (distance) C4'-P energy: -134.115 bonds (distance) P-C4' energy: -142.334 flat angles C4'-P-C4' energy: -134.990 flat angles P-C4'-P energy: -96.959 tors. eta vs tors. theta energy: -90.629 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: 8, replica: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1337.882256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.882256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.882256 (E_RNA) where: Base-Base interactions energy: -783.063 where: short stacking energy: -352.160 Base-Backbone interact. energy: 2.424 local terms energy: -557.243083 where: bonds (distance) C4'-P energy: -124.482 bonds (distance) P-C4' energy: -140.667 flat angles C4'-P-C4' energy: -140.075 flat angles P-C4'-P energy: -92.156 tors. eta vs tors. theta energy: -59.864 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: 9, replica: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1143.974407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.974407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.974407 (E_RNA) where: Base-Base interactions energy: -627.783 where: short stacking energy: -335.806 Base-Backbone interact. energy: -3.251 local terms energy: -512.941228 where: bonds (distance) C4'-P energy: -125.045 bonds (distance) P-C4' energy: -121.139 flat angles C4'-P-C4' energy: -126.716 flat angles P-C4'-P energy: -97.403 tors. eta vs tors. theta energy: -42.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -646.909861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.909861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.909861 (E_RNA) where: Base-Base interactions energy: -242.284 where: short stacking energy: -182.895 Base-Backbone interact. energy: 1.543 local terms energy: -406.169261 where: bonds (distance) C4'-P energy: -130.850 bonds (distance) P-C4' energy: -140.015 flat angles C4'-P-C4' energy: -107.433 flat angles P-C4'-P energy: -54.379 tors. eta vs tors. theta energy: 26.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2912.895906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.895906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.895906 (E_RNA) where: Base-Base interactions energy: -1999.875 where: short stacking energy: -844.624 Base-Backbone interact. energy: -1.489 local terms energy: -911.531180 where: bonds (distance) C4'-P energy: -157.056 bonds (distance) P-C4' energy: -171.726 flat angles C4'-P-C4' energy: -195.701 flat angles P-C4'-P energy: -120.669 tors. eta vs tors. theta energy: -266.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2839.713837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.713837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.713837 (E_RNA) where: Base-Base interactions energy: -1960.453 where: short stacking energy: -824.998 Base-Backbone interact. energy: -5.158 local terms energy: -874.102873 where: bonds (distance) C4'-P energy: -154.031 bonds (distance) P-C4' energy: -167.569 flat angles C4'-P-C4' energy: -184.628 flat angles P-C4'-P energy: -121.017 tors. eta vs tors. theta energy: -246.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2715.349604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.349604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.349604 (E_RNA) where: Base-Base interactions energy: -1861.676 where: short stacking energy: -823.498 Base-Backbone interact. energy: -6.323 local terms energy: -847.350857 where: bonds (distance) C4'-P energy: -141.255 bonds (distance) P-C4' energy: -151.443 flat angles C4'-P-C4' energy: -181.119 flat angles P-C4'-P energy: -124.628 tors. eta vs tors. theta energy: -248.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2452.836894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.836894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.836894 (E_RNA) where: Base-Base interactions energy: -1683.756 where: short stacking energy: -706.147 Base-Backbone interact. energy: -2.350 local terms energy: -766.731148 where: bonds (distance) C4'-P energy: -122.641 bonds (distance) P-C4' energy: -157.822 flat angles C4'-P-C4' energy: -196.243 flat angles P-C4'-P energy: -90.288 tors. eta vs tors. theta energy: -199.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2284.078866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.078866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.078866 (E_RNA) where: Base-Base interactions energy: -1552.837 where: short stacking energy: -674.937 Base-Backbone interact. energy: -2.135 local terms energy: -729.107573 where: bonds (distance) C4'-P energy: -133.586 bonds (distance) P-C4' energy: -143.148 flat angles C4'-P-C4' energy: -158.224 flat angles P-C4'-P energy: -111.339 tors. eta vs tors. theta energy: -182.810 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: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2016.901771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.901771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.901771 (E_RNA) where: Base-Base interactions energy: -1289.955 where: short stacking energy: -583.526 Base-Backbone interact. energy: -4.539 local terms energy: -722.407496 where: bonds (distance) C4'-P energy: -132.017 bonds (distance) P-C4' energy: -165.279 flat angles C4'-P-C4' energy: -168.046 flat angles P-C4'-P energy: -107.303 tors. eta vs tors. theta energy: -149.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1622.918191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.918191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.918191 (E_RNA) where: Base-Base interactions energy: -998.653 where: short stacking energy: -481.643 Base-Backbone interact. energy: -3.945 local terms energy: -620.320714 where: bonds (distance) C4'-P energy: -140.533 bonds (distance) P-C4' energy: -128.036 flat angles C4'-P-C4' energy: -149.440 flat angles P-C4'-P energy: -100.599 tors. eta vs tors. theta energy: -101.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1344.255653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.255653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.255653 (E_RNA) where: Base-Base interactions energy: -807.910 where: short stacking energy: -387.729 Base-Backbone interact. energy: -1.536 local terms energy: -534.809129 where: bonds (distance) C4'-P energy: -134.750 bonds (distance) P-C4' energy: -135.798 flat angles C4'-P-C4' energy: -134.642 flat angles P-C4'-P energy: -72.557 tors. eta vs tors. theta energy: -57.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1130.463534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.463534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.463534 (E_RNA) where: Base-Base interactions energy: -631.335 where: short stacking energy: -306.173 Base-Backbone interact. energy: 6.886 local terms energy: -506.014348 where: bonds (distance) C4'-P energy: -148.253 bonds (distance) P-C4' energy: -149.334 flat angles C4'-P-C4' energy: -109.844 flat angles P-C4'-P energy: -76.942 tors. eta vs tors. theta energy: -21.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -634.134929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.134929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.134929 (E_RNA) where: Base-Base interactions energy: -221.648 where: short stacking energy: -166.840 Base-Backbone interact. energy: 0.682 local terms energy: -413.169424 where: bonds (distance) C4'-P energy: -151.959 bonds (distance) P-C4' energy: -147.052 flat angles C4'-P-C4' energy: -99.319 flat angles P-C4'-P energy: -36.731 tors. eta vs tors. theta energy: 21.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2934.175674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.175674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.175674 (E_RNA) where: Base-Base interactions energy: -2046.758 where: short stacking energy: -831.568 Base-Backbone interact. energy: -5.938 local terms energy: -881.478951 where: bonds (distance) C4'-P energy: -159.881 bonds (distance) P-C4' energy: -166.937 flat angles C4'-P-C4' energy: -185.037 flat angles P-C4'-P energy: -122.641 tors. eta vs tors. theta energy: -246.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2832.852853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.852853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.852853 (E_RNA) where: Base-Base interactions energy: -1956.753 where: short stacking energy: -822.041 Base-Backbone interact. energy: -3.816 local terms energy: -872.283465 where: bonds (distance) C4'-P energy: -159.609 bonds (distance) P-C4' energy: -182.364 flat angles C4'-P-C4' energy: -172.369 flat angles P-C4'-P energy: -107.559 tors. eta vs tors. theta energy: -250.383 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: 254 Temperature: 1.000000 Total energy: -2737.774694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.774694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.774694 (E_RNA) where: Base-Base interactions energy: -1888.574 where: short stacking energy: -778.878 Base-Backbone interact. energy: -4.242 local terms energy: -844.959151 where: bonds (distance) C4'-P energy: -161.539 bonds (distance) P-C4' energy: -152.126 flat angles C4'-P-C4' energy: -175.312 flat angles P-C4'-P energy: -118.188 tors. eta vs tors. theta energy: -237.794 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: 4, replica: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2433.282522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.282522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.282522 (E_RNA) where: Base-Base interactions energy: -1619.314 where: short stacking energy: -708.684 Base-Backbone interact. energy: -2.458 local terms energy: -811.510061 where: bonds (distance) C4'-P energy: -138.675 bonds (distance) P-C4' energy: -155.953 flat angles C4'-P-C4' energy: -185.633 flat angles P-C4'-P energy: -124.758 tors. eta vs tors. theta energy: -206.491 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: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2325.277221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.277221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.277221 (E_RNA) where: Base-Base interactions energy: -1551.320 where: short stacking energy: -657.403 Base-Backbone interact. energy: -3.297 local terms energy: -770.660329 where: bonds (distance) C4'-P energy: -151.811 bonds (distance) P-C4' energy: -150.525 flat angles C4'-P-C4' energy: -167.938 flat angles P-C4'-P energy: -112.243 tors. eta vs tors. theta energy: -188.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2035.340695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.340695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.340695 (E_RNA) where: Base-Base interactions energy: -1326.752 where: short stacking energy: -595.993 Base-Backbone interact. energy: -1.237 local terms energy: -707.352081 where: bonds (distance) C4'-P energy: -149.741 bonds (distance) P-C4' energy: -134.741 flat angles C4'-P-C4' energy: -156.489 flat angles P-C4'-P energy: -108.791 tors. eta vs tors. theta energy: -157.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1732.603442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.603442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.603442 (E_RNA) where: Base-Base interactions energy: -1100.318 where: short stacking energy: -492.157 Base-Backbone interact. energy: -1.948 local terms energy: -630.338071 where: bonds (distance) C4'-P energy: -136.531 bonds (distance) P-C4' energy: -142.310 flat angles C4'-P-C4' energy: -150.304 flat angles P-C4'-P energy: -86.004 tors. eta vs tors. theta energy: -115.190 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: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1394.326258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.326258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.326258 (E_RNA) where: Base-Base interactions energy: -829.328 where: short stacking energy: -411.049 Base-Backbone interact. energy: -3.286 local terms energy: -561.712952 where: bonds (distance) C4'-P energy: -135.092 bonds (distance) P-C4' energy: -120.524 flat angles C4'-P-C4' energy: -134.606 flat angles P-C4'-P energy: -87.653 tors. eta vs tors. theta energy: -83.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1140.154854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.154854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.154854 (E_RNA) where: Base-Base interactions energy: -620.313 where: short stacking energy: -314.593 Base-Backbone interact. energy: 1.485 local terms energy: -521.326859 where: bonds (distance) C4'-P energy: -136.517 bonds (distance) P-C4' energy: -142.793 flat angles C4'-P-C4' energy: -136.022 flat angles P-C4'-P energy: -80.925 tors. eta vs tors. theta energy: -25.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -607.960813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.960813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.960813 (E_RNA) where: Base-Base interactions energy: -201.676 where: short stacking energy: -151.280 Base-Backbone interact. energy: -2.315 local terms energy: -403.969742 where: bonds (distance) C4'-P energy: -137.562 bonds (distance) P-C4' energy: -139.098 flat angles C4'-P-C4' energy: -92.133 flat angles P-C4'-P energy: -63.241 tors. eta vs tors. theta energy: 28.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2939.512973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.512973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.512973 (E_RNA) where: Base-Base interactions energy: -2027.023 where: short stacking energy: -850.345 Base-Backbone interact. energy: -4.138 local terms energy: -908.352441 where: bonds (distance) C4'-P energy: -156.060 bonds (distance) P-C4' energy: -181.672 flat angles C4'-P-C4' energy: -181.345 flat angles P-C4'-P energy: -129.358 tors. eta vs tors. theta energy: -259.919 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: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2828.094470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.094470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.094470 (E_RNA) where: Base-Base interactions energy: -1947.152 where: short stacking energy: -804.609 Base-Backbone interact. energy: -3.634 local terms energy: -877.308749 where: bonds (distance) C4'-P energy: -160.349 bonds (distance) P-C4' energy: -156.438 flat angles C4'-P-C4' energy: -173.337 flat angles P-C4'-P energy: -133.443 tors. eta vs tors. theta energy: -253.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2754.100162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.100162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.100162 (E_RNA) where: Base-Base interactions energy: -1890.492 where: short stacking energy: -814.713 Base-Backbone interact. energy: -4.500 local terms energy: -859.108956 where: bonds (distance) C4'-P energy: -146.385 bonds (distance) P-C4' energy: -155.254 flat angles C4'-P-C4' energy: -182.151 flat angles P-C4'-P energy: -134.127 tors. eta vs tors. theta energy: -241.192 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: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2445.762837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.762837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.762837 (E_RNA) where: Base-Base interactions energy: -1645.498 where: short stacking energy: -701.437 Base-Backbone interact. energy: -1.328 local terms energy: -798.936888 where: bonds (distance) C4'-P energy: -149.434 bonds (distance) P-C4' energy: -149.507 flat angles C4'-P-C4' energy: -172.149 flat angles P-C4'-P energy: -126.718 tors. eta vs tors. theta energy: -201.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2322.681988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.681988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.681988 (E_RNA) where: Base-Base interactions energy: -1548.595 where: short stacking energy: -711.826 Base-Backbone interact. energy: -1.383 local terms energy: -772.704143 where: bonds (distance) C4'-P energy: -157.275 bonds (distance) P-C4' energy: -132.659 flat angles C4'-P-C4' energy: -165.440 flat angles P-C4'-P energy: -105.505 tors. eta vs tors. theta energy: -211.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1991.448301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.448301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.448301 (E_RNA) where: Base-Base interactions energy: -1331.028 where: short stacking energy: -548.535 Base-Backbone interact. energy: -0.884 local terms energy: -659.536886 where: bonds (distance) C4'-P energy: -139.120 bonds (distance) P-C4' energy: -131.738 flat angles C4'-P-C4' energy: -146.952 flat angles P-C4'-P energy: -93.822 tors. eta vs tors. theta energy: -147.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1776.573626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.573626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.573626 (E_RNA) where: Base-Base interactions energy: -1124.540 where: short stacking energy: -508.774 Base-Backbone interact. energy: -1.948 local terms energy: -650.085253 where: bonds (distance) C4'-P energy: -131.292 bonds (distance) P-C4' energy: -145.785 flat angles C4'-P-C4' energy: -150.539 flat angles P-C4'-P energy: -104.558 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: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1402.845429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.845429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.845429 (E_RNA) where: Base-Base interactions energy: -826.228 where: short stacking energy: -400.088 Base-Backbone interact. energy: -4.495 local terms energy: -572.122935 where: bonds (distance) C4'-P energy: -126.949 bonds (distance) P-C4' energy: -146.615 flat angles C4'-P-C4' energy: -135.857 flat angles P-C4'-P energy: -94.242 tors. eta vs tors. theta energy: -68.461 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: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1127.661353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.661353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.661353 (E_RNA) where: Base-Base interactions energy: -647.361 where: short stacking energy: -320.030 Base-Backbone interact. energy: 2.099 local terms energy: -482.399586 where: bonds (distance) C4'-P energy: -138.653 bonds (distance) P-C4' energy: -128.625 flat angles C4'-P-C4' energy: -133.911 flat angles P-C4'-P energy: -44.458 tors. eta vs tors. theta energy: -36.752 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: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -660.490104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.490104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.490104 (E_RNA) where: Base-Base interactions energy: -234.632 where: short stacking energy: -189.618 Base-Backbone interact. energy: -4.495 local terms energy: -421.362955 where: bonds (distance) C4'-P energy: -135.544 bonds (distance) P-C4' energy: -135.161 flat angles C4'-P-C4' energy: -105.295 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: 25.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2930.717964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.717964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.717964 (E_RNA) where: Base-Base interactions energy: -2031.767 where: short stacking energy: -843.153 Base-Backbone interact. energy: -2.570 local terms energy: -896.380641 where: bonds (distance) C4'-P energy: -159.601 bonds (distance) P-C4' energy: -171.480 flat angles C4'-P-C4' energy: -189.405 flat angles P-C4'-P energy: -119.227 tors. eta vs tors. theta energy: -256.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2852.920454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.920454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.920454 (E_RNA) where: Base-Base interactions energy: -1939.613 where: short stacking energy: -816.731 Base-Backbone interact. energy: -5.173 local terms energy: -908.134770 where: bonds (distance) C4'-P energy: -163.020 bonds (distance) P-C4' energy: -161.139 flat angles C4'-P-C4' energy: -185.536 flat angles P-C4'-P energy: -135.127 tors. eta vs tors. theta energy: -263.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2776.927001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.927001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.927001 (E_RNA) where: Base-Base interactions energy: -1898.507 where: short stacking energy: -812.310 Base-Backbone interact. energy: -4.204 local terms energy: -874.216186 where: bonds (distance) C4'-P energy: -162.606 bonds (distance) P-C4' energy: -160.912 flat angles C4'-P-C4' energy: -183.574 flat angles P-C4'-P energy: -113.008 tors. eta vs tors. theta energy: -254.116 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: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2484.497986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.497986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.497986 (E_RNA) where: Base-Base interactions energy: -1681.136 where: short stacking energy: -712.518 Base-Backbone interact. energy: -3.349 local terms energy: -800.013697 where: bonds (distance) C4'-P energy: -140.914 bonds (distance) P-C4' energy: -154.785 flat angles C4'-P-C4' energy: -181.444 flat angles P-C4'-P energy: -111.552 tors. eta vs tors. theta energy: -211.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2239.885031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.885031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.885031 (E_RNA) where: Base-Base interactions energy: -1498.255 where: short stacking energy: -654.237 Base-Backbone interact. energy: -2.412 local terms energy: -739.218263 where: bonds (distance) C4'-P energy: -123.762 bonds (distance) P-C4' energy: -146.782 flat angles C4'-P-C4' energy: -177.394 flat angles P-C4'-P energy: -111.472 tors. eta vs tors. theta energy: -179.809 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: 6, replica: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2022.982081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.982081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.982081 (E_RNA) where: Base-Base interactions energy: -1324.549 where: short stacking energy: -582.201 Base-Backbone interact. energy: -0.804 local terms energy: -697.629148 where: bonds (distance) C4'-P energy: -143.786 bonds (distance) P-C4' energy: -146.767 flat angles C4'-P-C4' energy: -165.493 flat angles P-C4'-P energy: -93.684 tors. eta vs tors. theta energy: -147.900 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: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1873.830831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.830831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.830831 (E_RNA) where: Base-Base interactions energy: -1205.513 where: short stacking energy: -516.098 Base-Backbone interact. energy: 2.743 local terms energy: -671.061666 where: bonds (distance) C4'-P energy: -146.814 bonds (distance) P-C4' energy: -152.344 flat angles C4'-P-C4' energy: -146.228 flat angles P-C4'-P energy: -95.220 tors. eta vs tors. theta energy: -130.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1353.303390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.303390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.303390 (E_RNA) where: Base-Base interactions energy: -792.187 where: short stacking energy: -373.105 Base-Backbone interact. energy: 4.521 local terms energy: -565.637641 where: bonds (distance) C4'-P energy: -138.126 bonds (distance) P-C4' energy: -154.623 flat angles C4'-P-C4' energy: -131.156 flat angles P-C4'-P energy: -85.100 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: 9, replica: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1145.032791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.032791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.032791 (E_RNA) where: Base-Base interactions energy: -678.371 where: short stacking energy: -343.131 Base-Backbone interact. energy: -0.295 local terms energy: -466.366275 where: bonds (distance) C4'-P energy: -126.750 bonds (distance) P-C4' energy: -120.538 flat angles C4'-P-C4' energy: -106.988 flat angles P-C4'-P energy: -75.752 tors. eta vs tors. theta energy: -36.338 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: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -629.862927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.862927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.862927 (E_RNA) where: Base-Base interactions energy: -236.177 where: short stacking energy: -185.250 Base-Backbone interact. energy: 1.161 local terms energy: -394.846489 where: bonds (distance) C4'-P energy: -135.357 bonds (distance) P-C4' energy: -131.653 flat angles C4'-P-C4' energy: -85.306 flat angles P-C4'-P energy: -59.215 tors. eta vs tors. theta energy: 16.685 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: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2947.133090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.133090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.133090 (E_RNA) where: Base-Base interactions energy: -2019.296 where: short stacking energy: -849.038 Base-Backbone interact. energy: -0.744 local terms energy: -927.093197 where: bonds (distance) C4'-P energy: -173.282 bonds (distance) P-C4' energy: -159.341 flat angles C4'-P-C4' energy: -187.750 flat angles P-C4'-P energy: -135.396 tors. eta vs tors. theta energy: -271.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2832.277180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.277180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.277180 (E_RNA) where: Base-Base interactions energy: -1958.565 where: short stacking energy: -811.624 Base-Backbone interact. energy: -3.866 local terms energy: -869.845393 where: bonds (distance) C4'-P energy: -163.927 bonds (distance) P-C4' energy: -159.738 flat angles C4'-P-C4' energy: -177.527 flat angles P-C4'-P energy: -112.432 tors. eta vs tors. theta energy: -256.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2728.254784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.254784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.254784 (E_RNA) where: Base-Base interactions energy: -1857.954 where: short stacking energy: -803.668 Base-Backbone interact. energy: 2.229 local terms energy: -872.530125 where: bonds (distance) C4'-P energy: -142.432 bonds (distance) P-C4' energy: -154.236 flat angles C4'-P-C4' energy: -186.953 flat angles P-C4'-P energy: -127.064 tors. eta vs tors. theta energy: -261.845 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: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2429.922273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.922273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.922273 (E_RNA) where: Base-Base interactions energy: -1682.515 where: short stacking energy: -722.745 Base-Backbone interact. energy: 0.922 local terms energy: -748.329547 where: bonds (distance) C4'-P energy: -134.610 bonds (distance) P-C4' energy: -154.310 flat angles C4'-P-C4' energy: -160.911 flat angles P-C4'-P energy: -104.574 tors. eta vs tors. theta energy: -193.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2237.873709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.873709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.873709 (E_RNA) where: Base-Base interactions energy: -1488.408 where: short stacking energy: -673.737 Base-Backbone interact. energy: 5.875 local terms energy: -755.340296 where: bonds (distance) C4'-P energy: -148.025 bonds (distance) P-C4' energy: -158.902 flat angles C4'-P-C4' energy: -168.952 flat angles P-C4'-P energy: -106.863 tors. eta vs tors. theta energy: -172.599 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: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1982.608659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.608659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.608659 (E_RNA) where: Base-Base interactions energy: -1300.856 where: short stacking energy: -571.584 Base-Backbone interact. energy: -2.048 local terms energy: -679.704011 where: bonds (distance) C4'-P energy: -141.070 bonds (distance) P-C4' energy: -161.176 flat angles C4'-P-C4' energy: -145.094 flat angles P-C4'-P energy: -102.365 tors. eta vs tors. theta energy: -130.000 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: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1772.912205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.912205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.912205 (E_RNA) where: Base-Base interactions energy: -1151.526 where: short stacking energy: -484.341 Base-Backbone interact. energy: 0.673 local terms energy: -622.058953 where: bonds (distance) C4'-P energy: -128.579 bonds (distance) P-C4' energy: -156.030 flat angles C4'-P-C4' energy: -123.096 flat angles P-C4'-P energy: -97.866 tors. eta vs tors. theta energy: -116.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1394.136668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.136668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.136668 (E_RNA) where: Base-Base interactions energy: -817.849 where: short stacking energy: -395.047 Base-Backbone interact. energy: 0.301 local terms energy: -576.588648 where: bonds (distance) C4'-P energy: -147.920 bonds (distance) P-C4' energy: -153.074 flat angles C4'-P-C4' energy: -138.485 flat angles P-C4'-P energy: -84.514 tors. eta vs tors. theta energy: -52.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1136.346497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.346497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.346497 (E_RNA) where: Base-Base interactions energy: -597.359 where: short stacking energy: -311.058 Base-Backbone interact. energy: 5.724 local terms energy: -544.710673 where: bonds (distance) C4'-P energy: -151.431 bonds (distance) P-C4' energy: -158.291 flat angles C4'-P-C4' energy: -132.858 flat angles P-C4'-P energy: -67.675 tors. eta vs tors. theta energy: -34.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -681.350789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.350789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.350789 (E_RNA) where: Base-Base interactions energy: -258.742 where: short stacking energy: -168.286 Base-Backbone interact. energy: 7.616 local terms energy: -430.224889 where: bonds (distance) C4'-P energy: -130.067 bonds (distance) P-C4' energy: -134.975 flat angles C4'-P-C4' energy: -107.826 flat angles P-C4'-P energy: -82.064 tors. eta vs tors. theta energy: 24.707 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: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2925.812539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.812539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.812539 (E_RNA) where: Base-Base interactions energy: -1986.544 where: short stacking energy: -821.363 Base-Backbone interact. energy: -2.389 local terms energy: -936.879849 where: bonds (distance) C4'-P energy: -177.593 bonds (distance) P-C4' energy: -166.530 flat angles C4'-P-C4' energy: -198.222 flat angles P-C4'-P energy: -131.829 tors. eta vs tors. theta energy: -262.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2837.342197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.342197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.342197 (E_RNA) where: Base-Base interactions energy: -1961.658 where: short stacking energy: -831.345 Base-Backbone interact. energy: -0.519 local terms energy: -875.164547 where: bonds (distance) C4'-P energy: -167.697 bonds (distance) P-C4' energy: -159.187 flat angles C4'-P-C4' energy: -186.766 flat angles P-C4'-P energy: -121.857 tors. eta vs tors. theta energy: -239.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2746.339447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.339447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.339447 (E_RNA) where: Base-Base interactions energy: -1885.248 where: short stacking energy: -815.778 Base-Backbone interact. energy: -3.361 local terms energy: -857.730921 where: bonds (distance) C4'-P energy: -157.068 bonds (distance) P-C4' energy: -141.624 flat angles C4'-P-C4' energy: -178.116 flat angles P-C4'-P energy: -131.546 tors. eta vs tors. theta energy: -249.378 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: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2448.302348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.302348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.302348 (E_RNA) where: Base-Base interactions energy: -1656.674 where: short stacking energy: -710.406 Base-Backbone interact. energy: -4.488 local terms energy: -787.139686 where: bonds (distance) C4'-P energy: -140.639 bonds (distance) P-C4' energy: -161.067 flat angles C4'-P-C4' energy: -162.717 flat angles P-C4'-P energy: -119.575 tors. eta vs tors. theta energy: -203.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2204.835315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.835315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.835315 (E_RNA) where: Base-Base interactions energy: -1427.032 where: short stacking energy: -636.028 Base-Backbone interact. energy: 1.015 local terms energy: -778.818316 where: bonds (distance) C4'-P energy: -148.338 bonds (distance) P-C4' energy: -161.172 flat angles C4'-P-C4' energy: -168.627 flat angles P-C4'-P energy: -116.202 tors. eta vs tors. theta energy: -184.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2029.913782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.913782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.913782 (E_RNA) where: Base-Base interactions energy: -1357.752 where: short stacking energy: -590.898 Base-Backbone interact. energy: 2.861 local terms energy: -675.022363 where: bonds (distance) C4'-P energy: -125.137 bonds (distance) P-C4' energy: -140.390 flat angles C4'-P-C4' energy: -155.471 flat angles P-C4'-P energy: -93.691 tors. eta vs tors. theta energy: -160.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1746.875580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.875580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.875580 (E_RNA) where: Base-Base interactions energy: -1146.113 where: short stacking energy: -485.388 Base-Backbone interact. energy: 4.269 local terms energy: -605.032094 where: bonds (distance) C4'-P energy: -134.788 bonds (distance) P-C4' energy: -114.410 flat angles C4'-P-C4' energy: -154.863 flat angles P-C4'-P energy: -105.565 tors. eta vs tors. theta energy: -95.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1346.824672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.824672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.824672 (E_RNA) where: Base-Base interactions energy: -801.054 where: short stacking energy: -383.670 Base-Backbone interact. energy: -2.476 local terms energy: -543.294822 where: bonds (distance) C4'-P energy: -132.943 bonds (distance) P-C4' energy: -129.192 flat angles C4'-P-C4' energy: -124.576 flat angles P-C4'-P energy: -93.933 tors. eta vs tors. theta energy: -62.651 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: 10 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1054.050672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.050672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.050672 (E_RNA) where: Base-Base interactions energy: -547.644 where: short stacking energy: -274.301 Base-Backbone interact. energy: -0.379 local terms energy: -506.027757 where: bonds (distance) C4'-P energy: -146.546 bonds (distance) P-C4' energy: -153.165 flat angles C4'-P-C4' energy: -120.052 flat angles P-C4'-P energy: -73.616 tors. eta vs tors. theta energy: -12.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -742.003082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.003082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.003082 (E_RNA) where: Base-Base interactions energy: -316.559 where: short stacking energy: -197.723 Base-Backbone interact. energy: -0.910 local terms energy: -424.533542 where: bonds (distance) C4'-P energy: -133.447 bonds (distance) P-C4' energy: -127.836 flat angles C4'-P-C4' energy: -119.410 flat angles P-C4'-P energy: -62.800 tors. eta vs tors. theta energy: 18.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2920.731291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.731291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.731291 (E_RNA) where: Base-Base interactions energy: -1995.511 where: short stacking energy: -845.149 Base-Backbone interact. energy: -4.846 local terms energy: -920.373967 where: bonds (distance) C4'-P energy: -174.542 bonds (distance) P-C4' energy: -167.652 flat angles C4'-P-C4' energy: -196.193 flat angles P-C4'-P energy: -119.233 tors. eta vs tors. theta energy: -262.754 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: 259 Temperature: 0.950000 Total energy: -2853.912871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.912871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.912871 (E_RNA) where: Base-Base interactions energy: -1981.519 where: short stacking energy: -837.649 Base-Backbone interact. energy: -5.018 local terms energy: -867.375081 where: bonds (distance) C4'-P energy: -162.526 bonds (distance) P-C4' energy: -155.921 flat angles C4'-P-C4' energy: -194.610 flat angles P-C4'-P energy: -117.578 tors. eta vs tors. theta energy: -236.740 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: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2760.786675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.786675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.786675 (E_RNA) where: Base-Base interactions energy: -1872.026 where: short stacking energy: -801.414 Base-Backbone interact. energy: 5.127 local terms energy: -893.887513 where: bonds (distance) C4'-P energy: -158.246 bonds (distance) P-C4' energy: -163.156 flat angles C4'-P-C4' energy: -189.455 flat angles P-C4'-P energy: -121.797 tors. eta vs tors. theta energy: -261.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2452.817308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.817308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.817308 (E_RNA) where: Base-Base interactions energy: -1665.487 where: short stacking energy: -692.452 Base-Backbone interact. energy: -4.268 local terms energy: -783.062118 where: bonds (distance) C4'-P energy: -138.929 bonds (distance) P-C4' energy: -152.638 flat angles C4'-P-C4' energy: -177.012 flat angles P-C4'-P energy: -118.427 tors. eta vs tors. theta energy: -196.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2259.209276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.209276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.209276 (E_RNA) where: Base-Base interactions energy: -1523.042 where: short stacking energy: -631.393 Base-Backbone interact. energy: -0.555 local terms energy: -735.612228 where: bonds (distance) C4'-P energy: -128.273 bonds (distance) P-C4' energy: -157.907 flat angles C4'-P-C4' energy: -178.508 flat angles P-C4'-P energy: -105.529 tors. eta vs tors. theta energy: -165.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2058.395467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.395467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.395467 (E_RNA) where: Base-Base interactions energy: -1372.356 where: short stacking energy: -593.935 Base-Backbone interact. energy: -3.087 local terms energy: -682.952175 where: bonds (distance) C4'-P energy: -124.099 bonds (distance) P-C4' energy: -149.760 flat angles C4'-P-C4' energy: -136.146 flat angles P-C4'-P energy: -110.259 tors. eta vs tors. theta energy: -162.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1681.835755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.835755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.835755 (E_RNA) where: Base-Base interactions energy: -1074.957 where: short stacking energy: -451.617 Base-Backbone interact. energy: 0.262 local terms energy: -607.140814 where: bonds (distance) C4'-P energy: -135.629 bonds (distance) P-C4' energy: -156.386 flat angles C4'-P-C4' energy: -142.622 flat angles P-C4'-P energy: -83.477 tors. eta vs tors. theta energy: -89.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1386.001533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.001533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.001533 (E_RNA) where: Base-Base interactions energy: -804.708 where: short stacking energy: -400.835 Base-Backbone interact. energy: -1.968 local terms energy: -579.325198 where: bonds (distance) C4'-P energy: -131.555 bonds (distance) P-C4' energy: -154.318 flat angles C4'-P-C4' energy: -125.592 flat angles P-C4'-P energy: -87.206 tors. eta vs tors. theta energy: -80.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1149.320706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.320706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.320706 (E_RNA) where: Base-Base interactions energy: -663.438 where: short stacking energy: -344.061 Base-Backbone interact. energy: -0.106 local terms energy: -485.776693 where: bonds (distance) C4'-P energy: -110.626 bonds (distance) P-C4' energy: -138.237 flat angles C4'-P-C4' energy: -133.475 flat angles P-C4'-P energy: -73.030 tors. eta vs tors. theta energy: -30.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -745.316748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.316748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.316748 (E_RNA) where: Base-Base interactions energy: -277.792 where: short stacking energy: -194.903 Base-Backbone interact. energy: 0.408 local terms energy: -467.932795 where: bonds (distance) C4'-P energy: -133.781 bonds (distance) P-C4' energy: -142.291 flat angles C4'-P-C4' energy: -123.760 flat angles P-C4'-P energy: -81.080 tors. eta vs tors. theta energy: 12.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2916.931793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.931793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.931793 (E_RNA) where: Base-Base interactions energy: -2005.139 where: short stacking energy: -827.883 Base-Backbone interact. energy: -3.163 local terms energy: -908.629968 where: bonds (distance) C4'-P energy: -167.679 bonds (distance) P-C4' energy: -171.946 flat angles C4'-P-C4' energy: -194.229 flat angles P-C4'-P energy: -122.116 tors. eta vs tors. theta energy: -252.660 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: 260 Temperature: 0.950000 Total energy: -2843.880722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.880722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.880722 (E_RNA) where: Base-Base interactions energy: -1957.289 where: short stacking energy: -827.480 Base-Backbone interact. energy: -2.765 local terms energy: -883.826518 where: bonds (distance) C4'-P energy: -161.613 bonds (distance) P-C4' energy: -183.182 flat angles C4'-P-C4' energy: -177.481 flat angles P-C4'-P energy: -113.939 tors. eta vs tors. theta energy: -247.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2724.502617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.502617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.502617 (E_RNA) where: Base-Base interactions energy: -1899.011 where: short stacking energy: -793.930 Base-Backbone interact. energy: -2.196 local terms energy: -823.295671 where: bonds (distance) C4'-P energy: -135.461 bonds (distance) P-C4' energy: -145.270 flat angles C4'-P-C4' energy: -172.928 flat angles P-C4'-P energy: -125.428 tors. eta vs tors. theta energy: -244.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2452.558377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.558377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.558377 (E_RNA) where: Base-Base interactions energy: -1659.004 where: short stacking energy: -693.700 Base-Backbone interact. energy: -1.044 local terms energy: -792.510021 where: bonds (distance) C4'-P energy: -153.557 bonds (distance) P-C4' energy: -145.577 flat angles C4'-P-C4' energy: -173.639 flat angles P-C4'-P energy: -102.507 tors. eta vs tors. theta energy: -217.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2306.073694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.073694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.073694 (E_RNA) where: Base-Base interactions energy: -1553.851 where: short stacking energy: -669.290 Base-Backbone interact. energy: -0.344 local terms energy: -751.878325 where: bonds (distance) C4'-P energy: -146.904 bonds (distance) P-C4' energy: -147.998 flat angles C4'-P-C4' energy: -161.877 flat angles P-C4'-P energy: -98.654 tors. eta vs tors. theta energy: -196.446 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: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2027.600235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.600235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.600235 (E_RNA) where: Base-Base interactions energy: -1326.848 where: short stacking energy: -568.562 Base-Backbone interact. energy: -0.161 local terms energy: -700.591449 where: bonds (distance) C4'-P energy: -142.788 bonds (distance) P-C4' energy: -160.058 flat angles C4'-P-C4' energy: -172.727 flat angles P-C4'-P energy: -89.504 tors. eta vs tors. theta energy: -135.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1608.523971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.523971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.523971 (E_RNA) where: Base-Base interactions energy: -1024.029 where: short stacking energy: -420.959 Base-Backbone interact. energy: -1.522 local terms energy: -582.972998 where: bonds (distance) C4'-P energy: -136.644 bonds (distance) P-C4' energy: -134.887 flat angles C4'-P-C4' energy: -158.669 flat angles P-C4'-P energy: -82.900 tors. eta vs tors. theta energy: -69.873 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: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1351.135303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.135303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.135303 (E_RNA) where: Base-Base interactions energy: -814.911 where: short stacking energy: -399.036 Base-Backbone interact. energy: -2.514 local terms energy: -533.710094 where: bonds (distance) C4'-P energy: -136.361 bonds (distance) P-C4' energy: -132.996 flat angles C4'-P-C4' energy: -141.506 flat angles P-C4'-P energy: -59.740 tors. eta vs tors. theta energy: -63.108 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: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1099.312747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.312747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.312747 (E_RNA) where: Base-Base interactions energy: -600.359 where: short stacking energy: -320.434 Base-Backbone interact. energy: -1.218 local terms energy: -497.734786 where: bonds (distance) C4'-P energy: -133.383 bonds (distance) P-C4' energy: -147.025 flat angles C4'-P-C4' energy: -112.006 flat angles P-C4'-P energy: -85.001 tors. eta vs tors. theta energy: -20.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -704.764078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.764078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.764078 (E_RNA) where: Base-Base interactions energy: -266.381 where: short stacking energy: -176.909 Base-Backbone interact. energy: 9.995 local terms energy: -448.377651 where: bonds (distance) C4'-P energy: -133.007 bonds (distance) P-C4' energy: -142.371 flat angles C4'-P-C4' energy: -124.576 flat angles P-C4'-P energy: -73.583 tors. eta vs tors. theta energy: 25.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2923.440079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.440079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.440079 (E_RNA) where: Base-Base interactions energy: -2011.877 where: short stacking energy: -848.267 Base-Backbone interact. energy: -2.072 local terms energy: -909.491139 where: bonds (distance) C4'-P energy: -169.377 bonds (distance) P-C4' energy: -176.193 flat angles C4'-P-C4' energy: -191.143 flat angles P-C4'-P energy: -114.593 tors. eta vs tors. theta energy: -258.184 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: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2819.521141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.521141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.521141 (E_RNA) where: Base-Base interactions energy: -1958.680 where: short stacking energy: -830.094 Base-Backbone interact. energy: -3.884 local terms energy: -856.957427 where: bonds (distance) C4'-P energy: -159.439 bonds (distance) P-C4' energy: -161.961 flat angles C4'-P-C4' energy: -181.860 flat angles P-C4'-P energy: -111.500 tors. eta vs tors. theta energy: -242.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2726.211209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.211209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.211209 (E_RNA) where: Base-Base interactions energy: -1888.552 where: short stacking energy: -830.007 Base-Backbone interact. energy: -1.780 local terms energy: -835.879105 where: bonds (distance) C4'-P energy: -151.207 bonds (distance) P-C4' energy: -156.895 flat angles C4'-P-C4' energy: -161.517 flat angles P-C4'-P energy: -112.653 tors. eta vs tors. theta energy: -253.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2476.409839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.409839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.409839 (E_RNA) where: Base-Base interactions energy: -1678.610 where: short stacking energy: -701.670 Base-Backbone interact. energy: -1.636 local terms energy: -796.163529 where: bonds (distance) C4'-P energy: -138.857 bonds (distance) P-C4' energy: -160.838 flat angles C4'-P-C4' energy: -172.538 flat angles P-C4'-P energy: -112.303 tors. eta vs tors. theta energy: -211.627 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: 5, replica: 9 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2242.586784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.586784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.586784 (E_RNA) where: Base-Base interactions energy: -1487.253 where: short stacking energy: -652.226 Base-Backbone interact. energy: -6.219 local terms energy: -749.115186 where: bonds (distance) C4'-P energy: -159.233 bonds (distance) P-C4' energy: -146.455 flat angles C4'-P-C4' energy: -159.921 flat angles P-C4'-P energy: -92.039 tors. eta vs tors. theta energy: -191.467 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: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2056.120431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.120431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.120431 (E_RNA) where: Base-Base interactions energy: -1366.268 where: short stacking energy: -624.246 Base-Backbone interact. energy: -2.292 local terms energy: -687.560494 where: bonds (distance) C4'-P energy: -114.287 bonds (distance) P-C4' energy: -148.508 flat angles C4'-P-C4' energy: -168.206 flat angles P-C4'-P energy: -102.784 tors. eta vs tors. theta energy: -153.774 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: 7 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1692.717935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.717935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.717935 (E_RNA) where: Base-Base interactions energy: -1086.003 where: short stacking energy: -488.415 Base-Backbone interact. energy: 2.171 local terms energy: -608.886302 where: bonds (distance) C4'-P energy: -138.712 bonds (distance) P-C4' energy: -141.547 flat angles C4'-P-C4' energy: -139.889 flat angles P-C4'-P energy: -94.973 tors. eta vs tors. theta energy: -93.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1369.998036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.998036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.998036 (E_RNA) where: Base-Base interactions energy: -808.394 where: short stacking energy: -382.760 Base-Backbone interact. energy: 9.760 local terms energy: -571.363239 where: bonds (distance) C4'-P energy: -154.812 bonds (distance) P-C4' energy: -126.867 flat angles C4'-P-C4' energy: -135.472 flat angles P-C4'-P energy: -98.897 tors. eta vs tors. theta energy: -55.314 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: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1170.653327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.653327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.653327 (E_RNA) where: Base-Base interactions energy: -628.395 where: short stacking energy: -332.462 Base-Backbone interact. energy: -2.832 local terms energy: -539.426274 where: bonds (distance) C4'-P energy: -125.783 bonds (distance) P-C4' energy: -137.328 flat angles C4'-P-C4' energy: -135.671 flat angles P-C4'-P energy: -96.667 tors. eta vs tors. theta energy: -43.977 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: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -740.863390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.863390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.863390 (E_RNA) where: Base-Base interactions energy: -306.382 where: short stacking energy: -198.427 Base-Backbone interact. energy: -0.756 local terms energy: -433.725989 where: bonds (distance) C4'-P energy: -139.762 bonds (distance) P-C4' energy: -138.932 flat angles C4'-P-C4' energy: -127.072 flat angles P-C4'-P energy: -48.281 tors. eta vs tors. theta energy: 20.322 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: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2925.786390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.786390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.786390 (E_RNA) where: Base-Base interactions energy: -2018.016 where: short stacking energy: -822.082 Base-Backbone interact. energy: -6.530 local terms energy: -901.240359 where: bonds (distance) C4'-P energy: -152.899 bonds (distance) P-C4' energy: -172.752 flat angles C4'-P-C4' energy: -191.320 flat angles P-C4'-P energy: -132.728 tors. eta vs tors. theta energy: -251.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2824.724915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.724915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.724915 (E_RNA) where: Base-Base interactions energy: -1939.974 where: short stacking energy: -813.929 Base-Backbone interact. energy: -3.586 local terms energy: -881.165311 where: bonds (distance) C4'-P energy: -160.912 bonds (distance) P-C4' energy: -171.710 flat angles C4'-P-C4' energy: -180.277 flat angles P-C4'-P energy: -128.775 tors. eta vs tors. theta energy: -239.491 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: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2727.866005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.866005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.866005 (E_RNA) where: Base-Base interactions energy: -1851.267 where: short stacking energy: -805.661 Base-Backbone interact. energy: -3.155 local terms energy: -873.444819 where: bonds (distance) C4'-P energy: -158.921 bonds (distance) P-C4' energy: -172.286 flat angles C4'-P-C4' energy: -175.058 flat angles P-C4'-P energy: -116.957 tors. eta vs tors. theta energy: -250.223 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: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2427.694739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.694739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.694739 (E_RNA) where: Base-Base interactions energy: -1662.391 where: short stacking energy: -678.662 Base-Backbone interact. energy: -2.250 local terms energy: -763.053640 where: bonds (distance) C4'-P energy: -142.639 bonds (distance) P-C4' energy: -159.781 flat angles C4'-P-C4' energy: -167.844 flat angles P-C4'-P energy: -106.140 tors. eta vs tors. theta energy: -186.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2210.761266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.761266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.761266 (E_RNA) where: Base-Base interactions energy: -1473.998 where: short stacking energy: -660.430 Base-Backbone interact. energy: -0.792 local terms energy: -735.971565 where: bonds (distance) C4'-P energy: -139.930 bonds (distance) P-C4' energy: -146.743 flat angles C4'-P-C4' energy: -154.518 flat angles P-C4'-P energy: -116.718 tors. eta vs tors. theta energy: -178.063 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: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2017.539224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.539224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.539224 (E_RNA) where: Base-Base interactions energy: -1316.031 where: short stacking energy: -578.208 Base-Backbone interact. energy: -1.779 local terms energy: -699.730114 where: bonds (distance) C4'-P energy: -161.355 bonds (distance) P-C4' energy: -147.091 flat angles C4'-P-C4' energy: -161.843 flat angles P-C4'-P energy: -95.564 tors. eta vs tors. theta energy: -133.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1723.472146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.472146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.472146 (E_RNA) where: Base-Base interactions energy: -1112.768 where: short stacking energy: -451.534 Base-Backbone interact. energy: 2.617 local terms energy: -613.321868 where: bonds (distance) C4'-P energy: -161.934 bonds (distance) P-C4' energy: -137.020 flat angles C4'-P-C4' energy: -144.957 flat angles P-C4'-P energy: -76.045 tors. eta vs tors. theta energy: -93.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1379.825831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.825831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.825831 (E_RNA) where: Base-Base interactions energy: -818.050 where: short stacking energy: -404.066 Base-Backbone interact. energy: 2.752 local terms energy: -564.527307 where: bonds (distance) C4'-P energy: -129.987 bonds (distance) P-C4' energy: -144.224 flat angles C4'-P-C4' energy: -151.410 flat angles P-C4'-P energy: -89.986 tors. eta vs tors. theta energy: -48.921 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: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1138.153263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.153263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.153263 (E_RNA) where: Base-Base interactions energy: -650.433 where: short stacking energy: -333.020 Base-Backbone interact. energy: -3.711 local terms energy: -484.008785 where: bonds (distance) C4'-P energy: -143.675 bonds (distance) P-C4' energy: -136.881 flat angles C4'-P-C4' energy: -99.543 flat angles P-C4'-P energy: -72.159 tors. eta vs tors. theta energy: -31.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -740.484207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.484207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.484207 (E_RNA) where: Base-Base interactions energy: -323.940 where: short stacking energy: -190.656 Base-Backbone interact. energy: 2.275 local terms energy: -418.819275 where: bonds (distance) C4'-P energy: -112.564 bonds (distance) P-C4' energy: -145.048 flat angles C4'-P-C4' energy: -107.610 flat angles P-C4'-P energy: -70.124 tors. eta vs tors. theta energy: 16.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2929.418301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.418301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.418301 (E_RNA) where: Base-Base interactions energy: -2024.737 where: short stacking energy: -837.503 Base-Backbone interact. energy: -3.599 local terms energy: -901.082664 where: bonds (distance) C4'-P energy: -164.156 bonds (distance) P-C4' energy: -173.203 flat angles C4'-P-C4' energy: -194.218 flat angles P-C4'-P energy: -110.749 tors. eta vs tors. theta energy: -258.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2837.435627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.435627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.435627 (E_RNA) where: Base-Base interactions energy: -1938.078 where: short stacking energy: -808.256 Base-Backbone interact. energy: -5.738 local terms energy: -893.619893 where: bonds (distance) C4'-P energy: -166.757 bonds (distance) P-C4' energy: -169.018 flat angles C4'-P-C4' energy: -178.931 flat angles P-C4'-P energy: -131.695 tors. eta vs tors. theta energy: -247.220 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: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2708.133637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.133637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.133637 (E_RNA) where: Base-Base interactions energy: -1850.874 where: short stacking energy: -816.152 Base-Backbone interact. energy: -4.199 local terms energy: -853.061236 where: bonds (distance) C4'-P energy: -146.394 bonds (distance) P-C4' energy: -169.865 flat angles C4'-P-C4' energy: -179.906 flat angles P-C4'-P energy: -115.306 tors. eta vs tors. theta energy: -241.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2458.819534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.819534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.819534 (E_RNA) where: Base-Base interactions energy: -1695.789 where: short stacking energy: -713.553 Base-Backbone interact. energy: -2.687 local terms energy: -760.343108 where: bonds (distance) C4'-P energy: -132.139 bonds (distance) P-C4' energy: -135.613 flat angles C4'-P-C4' energy: -176.240 flat angles P-C4'-P energy: -111.884 tors. eta vs tors. theta energy: -204.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2223.346673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.346673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.346673 (E_RNA) where: Base-Base interactions energy: -1504.982 where: short stacking energy: -655.579 Base-Backbone interact. energy: -0.531 local terms energy: -717.832942 where: bonds (distance) C4'-P energy: -142.321 bonds (distance) P-C4' energy: -134.602 flat angles C4'-P-C4' energy: -176.969 flat angles P-C4'-P energy: -87.633 tors. eta vs tors. theta energy: -176.308 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: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2026.962914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.962914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.962914 (E_RNA) where: Base-Base interactions energy: -1338.895 where: short stacking energy: -551.365 Base-Backbone interact. energy: -3.352 local terms energy: -684.716268 where: bonds (distance) C4'-P energy: -140.743 bonds (distance) P-C4' energy: -132.421 flat angles C4'-P-C4' energy: -157.530 flat angles P-C4'-P energy: -104.091 tors. eta vs tors. theta energy: -149.931 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: 263 Temperature: 1.200000 Total energy: -1669.884679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.884679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.884679 (E_RNA) where: Base-Base interactions energy: -1035.449 where: short stacking energy: -442.390 Base-Backbone interact. energy: -0.576 local terms energy: -633.860225 where: bonds (distance) C4'-P energy: -134.824 bonds (distance) P-C4' energy: -160.375 flat angles C4'-P-C4' energy: -143.616 flat angles P-C4'-P energy: -90.952 tors. eta vs tors. theta energy: -104.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1377.477872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.477872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.477872 (E_RNA) where: Base-Base interactions energy: -818.942 where: short stacking energy: -383.147 Base-Backbone interact. energy: 6.502 local terms energy: -565.037785 where: bonds (distance) C4'-P energy: -146.213 bonds (distance) P-C4' energy: -144.893 flat angles C4'-P-C4' energy: -129.349 flat angles P-C4'-P energy: -85.369 tors. eta vs tors. theta energy: -59.213 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: 263 Temperature: 1.300000 Total energy: -1167.988522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.988522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.988522 (E_RNA) where: Base-Base interactions energy: -668.755 where: short stacking energy: -304.308 Base-Backbone interact. energy: -6.807 local terms energy: -492.426120 where: bonds (distance) C4'-P energy: -122.323 bonds (distance) P-C4' energy: -129.067 flat angles C4'-P-C4' energy: -110.515 flat angles P-C4'-P energy: -95.818 tors. eta vs tors. theta energy: -34.703 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: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -771.732048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.732048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.732048 (E_RNA) where: Base-Base interactions energy: -377.099 where: short stacking energy: -219.601 Base-Backbone interact. energy: -1.846 local terms energy: -392.787913 where: bonds (distance) C4'-P energy: -106.649 bonds (distance) P-C4' energy: -125.788 flat angles C4'-P-C4' energy: -122.606 flat angles P-C4'-P energy: -53.602 tors. eta vs tors. theta energy: 15.858 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: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2935.312761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.312761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.312761 (E_RNA) where: Base-Base interactions energy: -2010.655 where: short stacking energy: -836.475 Base-Backbone interact. energy: -4.495 local terms energy: -920.163192 where: bonds (distance) C4'-P energy: -173.725 bonds (distance) P-C4' energy: -159.959 flat angles C4'-P-C4' energy: -199.631 flat angles P-C4'-P energy: -129.059 tors. eta vs tors. theta energy: -257.790 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: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2831.828320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.828320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.828320 (E_RNA) where: Base-Base interactions energy: -1956.049 where: short stacking energy: -836.136 Base-Backbone interact. energy: -4.864 local terms energy: -870.915462 where: bonds (distance) C4'-P energy: -149.082 bonds (distance) P-C4' energy: -172.351 flat angles C4'-P-C4' energy: -178.536 flat angles P-C4'-P energy: -125.535 tors. eta vs tors. theta energy: -245.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2709.926065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.926065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.926065 (E_RNA) where: Base-Base interactions energy: -1881.286 where: short stacking energy: -805.226 Base-Backbone interact. energy: -2.785 local terms energy: -825.855200 where: bonds (distance) C4'-P energy: -127.260 bonds (distance) P-C4' energy: -164.185 flat angles C4'-P-C4' energy: -184.987 flat angles P-C4'-P energy: -99.795 tors. eta vs tors. theta energy: -249.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2433.355577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.355577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.355577 (E_RNA) where: Base-Base interactions energy: -1654.290 where: short stacking energy: -675.976 Base-Backbone interact. energy: -1.359 local terms energy: -777.706989 where: bonds (distance) C4'-P energy: -140.675 bonds (distance) P-C4' energy: -155.776 flat angles C4'-P-C4' energy: -184.492 flat angles P-C4'-P energy: -108.191 tors. eta vs tors. theta energy: -188.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2271.270997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.270997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.270997 (E_RNA) where: Base-Base interactions energy: -1493.673 where: short stacking energy: -664.939 Base-Backbone interact. energy: -1.668 local terms energy: -775.929433 where: bonds (distance) C4'-P energy: -147.899 bonds (distance) P-C4' energy: -147.794 flat angles C4'-P-C4' energy: -185.342 flat angles P-C4'-P energy: -102.487 tors. eta vs tors. theta energy: -192.407 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: 6, replica: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2083.328409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.328409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.328409 (E_RNA) where: Base-Base interactions energy: -1366.920 where: short stacking energy: -591.781 Base-Backbone interact. energy: -2.694 local terms energy: -713.714472 where: bonds (distance) C4'-P energy: -149.440 bonds (distance) P-C4' energy: -151.920 flat angles C4'-P-C4' energy: -159.871 flat angles P-C4'-P energy: -102.200 tors. eta vs tors. theta energy: -150.283 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: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1622.984263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.984263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.984263 (E_RNA) where: Base-Base interactions energy: -1041.870 where: short stacking energy: -463.709 Base-Backbone interact. energy: 3.218 local terms energy: -584.332318 where: bonds (distance) C4'-P energy: -119.424 bonds (distance) P-C4' energy: -134.151 flat angles C4'-P-C4' energy: -149.886 flat angles P-C4'-P energy: -91.806 tors. eta vs tors. theta energy: -89.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1418.717353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.717353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.717353 (E_RNA) where: Base-Base interactions energy: -818.669 where: short stacking energy: -402.898 Base-Backbone interact. energy: 3.417 local terms energy: -603.465314 where: bonds (distance) C4'-P energy: -133.189 bonds (distance) P-C4' energy: -170.618 flat angles C4'-P-C4' energy: -153.878 flat angles P-C4'-P energy: -68.245 tors. eta vs tors. theta energy: -77.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1135.195658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.195658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.195658 (E_RNA) where: Base-Base interactions energy: -622.693 where: short stacking energy: -303.479 Base-Backbone interact. energy: 2.757 local terms energy: -515.259603 where: bonds (distance) C4'-P energy: -135.133 bonds (distance) P-C4' energy: -138.852 flat angles C4'-P-C4' energy: -130.416 flat angles P-C4'-P energy: -91.726 tors. eta vs tors. theta energy: -19.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -823.545217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.545217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.545217 (E_RNA) where: Base-Base interactions energy: -389.307 where: short stacking energy: -207.490 Base-Backbone interact. energy: 1.038 local terms energy: -435.276326 where: bonds (distance) C4'-P energy: -133.929 bonds (distance) P-C4' energy: -140.658 flat angles C4'-P-C4' energy: -98.474 flat angles P-C4'-P energy: -66.898 tors. eta vs tors. theta energy: 4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2914.843745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.843745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.843745 (E_RNA) where: Base-Base interactions energy: -2018.956 where: short stacking energy: -839.031 Base-Backbone interact. energy: 0.067 local terms energy: -895.954685 where: bonds (distance) C4'-P energy: -162.366 bonds (distance) P-C4' energy: -169.400 flat angles C4'-P-C4' energy: -194.818 flat angles P-C4'-P energy: -112.185 tors. eta vs tors. theta energy: -257.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2846.393919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.393919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.393919 (E_RNA) where: Base-Base interactions energy: -1968.364 where: short stacking energy: -803.526 Base-Backbone interact. energy: -1.583 local terms energy: -876.446965 where: bonds (distance) C4'-P energy: -154.257 bonds (distance) P-C4' energy: -161.322 flat angles C4'-P-C4' energy: -192.887 flat angles P-C4'-P energy: -122.494 tors. eta vs tors. theta energy: -245.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2696.924420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.924420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.924420 (E_RNA) where: Base-Base interactions energy: -1848.691 where: short stacking energy: -782.297 Base-Backbone interact. energy: 0.591 local terms energy: -848.824067 where: bonds (distance) C4'-P energy: -164.391 bonds (distance) P-C4' energy: -149.679 flat angles C4'-P-C4' energy: -185.297 flat angles P-C4'-P energy: -111.028 tors. eta vs tors. theta energy: -238.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2431.970940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.970940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.970940 (E_RNA) where: Base-Base interactions energy: -1637.745 where: short stacking energy: -693.296 Base-Backbone interact. energy: -1.959 local terms energy: -792.266945 where: bonds (distance) C4'-P energy: -148.050 bonds (distance) P-C4' energy: -160.437 flat angles C4'-P-C4' energy: -164.961 flat angles P-C4'-P energy: -110.757 tors. eta vs tors. theta energy: -208.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2221.437154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.437154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.437154 (E_RNA) where: Base-Base interactions energy: -1448.715 where: short stacking energy: -635.866 Base-Backbone interact. energy: -4.159 local terms energy: -768.563465 where: bonds (distance) C4'-P energy: -160.469 bonds (distance) P-C4' energy: -145.720 flat angles C4'-P-C4' energy: -177.554 flat angles P-C4'-P energy: -108.087 tors. eta vs tors. theta energy: -176.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2065.719165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.719165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.719165 (E_RNA) where: Base-Base interactions energy: -1364.410 where: short stacking energy: -600.639 Base-Backbone interact. energy: -2.044 local terms energy: -699.265356 where: bonds (distance) C4'-P energy: -144.860 bonds (distance) P-C4' energy: -126.620 flat angles C4'-P-C4' energy: -179.224 flat angles P-C4'-P energy: -94.170 tors. eta vs tors. theta energy: -154.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1556.593401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.593401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.593401 (E_RNA) where: Base-Base interactions energy: -945.219 where: short stacking energy: -395.277 Base-Backbone interact. energy: -1.191 local terms energy: -610.182859 where: bonds (distance) C4'-P energy: -153.474 bonds (distance) P-C4' energy: -144.580 flat angles C4'-P-C4' energy: -145.206 flat angles P-C4'-P energy: -84.666 tors. eta vs tors. theta energy: -82.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1392.599593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.599593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.599593 (E_RNA) where: Base-Base interactions energy: -842.500 where: short stacking energy: -401.397 Base-Backbone interact. energy: -5.009 local terms energy: -545.090463 where: bonds (distance) C4'-P energy: -133.363 bonds (distance) P-C4' energy: -127.808 flat angles C4'-P-C4' energy: -140.493 flat angles P-C4'-P energy: -91.058 tors. eta vs tors. theta energy: -52.368 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: 265 Temperature: 1.300000 Total energy: -1103.315720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.315720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.315720 (E_RNA) where: Base-Base interactions energy: -618.971 where: short stacking energy: -266.394 Base-Backbone interact. energy: -2.769 local terms energy: -481.575489 where: bonds (distance) C4'-P energy: -142.743 bonds (distance) P-C4' energy: -127.105 flat angles C4'-P-C4' energy: -123.028 flat angles P-C4'-P energy: -84.535 tors. eta vs tors. theta energy: -4.165 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: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -849.055569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.055569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.055569 (E_RNA) where: Base-Base interactions energy: -398.137 where: short stacking energy: -230.403 Base-Backbone interact. energy: 4.204 local terms energy: -455.122535 where: bonds (distance) C4'-P energy: -140.950 bonds (distance) P-C4' energy: -159.783 flat angles C4'-P-C4' energy: -105.638 flat angles P-C4'-P energy: -53.932 tors. eta vs tors. theta energy: 5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2916.535340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.535340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.535340 (E_RNA) where: Base-Base interactions energy: -1986.862 where: short stacking energy: -832.156 Base-Backbone interact. energy: -6.887 local terms energy: -922.786083 where: bonds (distance) C4'-P energy: -179.138 bonds (distance) P-C4' energy: -170.337 flat angles C4'-P-C4' energy: -186.049 flat angles P-C4'-P energy: -123.296 tors. eta vs tors. theta energy: -263.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2854.091593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.091593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.091593 (E_RNA) where: Base-Base interactions energy: -1993.079 where: short stacking energy: -842.439 Base-Backbone interact. energy: -1.960 local terms energy: -859.053129 where: bonds (distance) C4'-P energy: -165.114 bonds (distance) P-C4' energy: -146.439 flat angles C4'-P-C4' energy: -182.924 flat angles P-C4'-P energy: -121.860 tors. eta vs tors. theta energy: -242.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2710.500751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.500751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.500751 (E_RNA) where: Base-Base interactions energy: -1847.704 where: short stacking energy: -811.323 Base-Backbone interact. energy: -2.790 local terms energy: -860.007036 where: bonds (distance) C4'-P energy: -163.527 bonds (distance) P-C4' energy: -151.932 flat angles C4'-P-C4' energy: -167.204 flat angles P-C4'-P energy: -128.547 tors. eta vs tors. theta energy: -248.797 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: 6 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2441.037602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.037602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.037602 (E_RNA) where: Base-Base interactions energy: -1648.577 where: short stacking energy: -714.534 Base-Backbone interact. energy: -0.676 local terms energy: -791.784129 where: bonds (distance) C4'-P energy: -147.147 bonds (distance) P-C4' energy: -158.375 flat angles C4'-P-C4' energy: -174.255 flat angles P-C4'-P energy: -110.583 tors. eta vs tors. theta energy: -201.424 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: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2233.308178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.308178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.308178 (E_RNA) where: Base-Base interactions energy: -1507.120 where: short stacking energy: -670.824 Base-Backbone interact. energy: -6.093 local terms energy: -720.094924 where: bonds (distance) C4'-P energy: -150.598 bonds (distance) P-C4' energy: -125.665 flat angles C4'-P-C4' energy: -167.750 flat angles P-C4'-P energy: -101.068 tors. eta vs tors. theta energy: -175.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2080.027115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.027115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.027115 (E_RNA) where: Base-Base interactions energy: -1364.895 where: short stacking energy: -608.559 Base-Backbone interact. energy: 1.339 local terms energy: -716.470647 where: bonds (distance) C4'-P energy: -122.576 bonds (distance) P-C4' energy: -168.916 flat angles C4'-P-C4' energy: -164.991 flat angles P-C4'-P energy: -88.804 tors. eta vs tors. theta energy: -171.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1596.019848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.019848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.019848 (E_RNA) where: Base-Base interactions energy: -993.546 where: short stacking energy: -455.567 Base-Backbone interact. energy: -3.394 local terms energy: -599.079918 where: bonds (distance) C4'-P energy: -117.142 bonds (distance) P-C4' energy: -146.929 flat angles C4'-P-C4' energy: -138.880 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -101.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1366.376273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.376273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.376273 (E_RNA) where: Base-Base interactions energy: -810.752 where: short stacking energy: -407.652 Base-Backbone interact. energy: -3.087 local terms energy: -552.537272 where: bonds (distance) C4'-P energy: -138.579 bonds (distance) P-C4' energy: -135.701 flat angles C4'-P-C4' energy: -133.371 flat angles P-C4'-P energy: -74.414 tors. eta vs tors. theta energy: -70.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1191.642325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.642325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.642325 (E_RNA) where: Base-Base interactions energy: -669.060 where: short stacking energy: -312.442 Base-Backbone interact. energy: 1.274 local terms energy: -523.856388 where: bonds (distance) C4'-P energy: -127.715 bonds (distance) P-C4' energy: -147.961 flat angles C4'-P-C4' energy: -131.662 flat angles P-C4'-P energy: -75.463 tors. eta vs tors. theta energy: -41.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -783.984746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.984746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.984746 (E_RNA) where: Base-Base interactions energy: -340.567 where: short stacking energy: -173.136 Base-Backbone interact. energy: -3.340 local terms energy: -440.077627 where: bonds (distance) C4'-P energy: -145.620 bonds (distance) P-C4' energy: -118.558 flat angles C4'-P-C4' energy: -109.982 flat angles P-C4'-P energy: -73.936 tors. eta vs tors. theta energy: 8.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2909.160585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.160585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.160585 (E_RNA) where: Base-Base interactions energy: -2007.959 where: short stacking energy: -844.931 Base-Backbone interact. energy: -5.132 local terms energy: -896.069537 where: bonds (distance) C4'-P energy: -152.923 bonds (distance) P-C4' energy: -151.473 flat angles C4'-P-C4' energy: -202.961 flat angles P-C4'-P energy: -124.186 tors. eta vs tors. theta energy: -264.527 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: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2878.510750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.510750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.510750 (E_RNA) where: Base-Base interactions energy: -1962.740 where: short stacking energy: -827.094 Base-Backbone interact. energy: -1.647 local terms energy: -914.123537 where: bonds (distance) C4'-P energy: -174.273 bonds (distance) P-C4' energy: -165.435 flat angles C4'-P-C4' energy: -192.836 flat angles P-C4'-P energy: -128.696 tors. eta vs tors. theta energy: -252.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2716.212473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.212473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.212473 (E_RNA) where: Base-Base interactions energy: -1884.134 where: short stacking energy: -804.598 Base-Backbone interact. energy: 0.717 local terms energy: -832.795573 where: bonds (distance) C4'-P energy: -140.062 bonds (distance) P-C4' energy: -155.429 flat angles C4'-P-C4' energy: -170.698 flat angles P-C4'-P energy: -120.651 tors. eta vs tors. theta energy: -245.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2516.715346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.715346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.715346 (E_RNA) where: Base-Base interactions energy: -1717.908 where: short stacking energy: -734.675 Base-Backbone interact. energy: -1.830 local terms energy: -796.977853 where: bonds (distance) C4'-P energy: -145.601 bonds (distance) P-C4' energy: -150.420 flat angles C4'-P-C4' energy: -174.626 flat angles P-C4'-P energy: -118.702 tors. eta vs tors. theta energy: -207.628 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: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2228.258686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.258686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.258686 (E_RNA) where: Base-Base interactions energy: -1472.407 where: short stacking energy: -635.320 Base-Backbone interact. energy: -0.274 local terms energy: -755.578187 where: bonds (distance) C4'-P energy: -138.117 bonds (distance) P-C4' energy: -159.385 flat angles C4'-P-C4' energy: -173.720 flat angles P-C4'-P energy: -108.362 tors. eta vs tors. theta energy: -175.994 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: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2044.615211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.615211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.615211 (E_RNA) where: Base-Base interactions energy: -1359.069 where: short stacking energy: -581.558 Base-Backbone interact. energy: -2.691 local terms energy: -682.855496 where: bonds (distance) C4'-P energy: -144.735 bonds (distance) P-C4' energy: -150.213 flat angles C4'-P-C4' energy: -148.602 flat angles P-C4'-P energy: -103.691 tors. eta vs tors. theta energy: -135.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1512.486500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.486500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.486500 (E_RNA) where: Base-Base interactions energy: -928.687 where: short stacking energy: -431.247 Base-Backbone interact. energy: -3.508 local terms energy: -580.291434 where: bonds (distance) C4'-P energy: -143.390 bonds (distance) P-C4' energy: -109.470 flat angles C4'-P-C4' energy: -139.223 flat angles P-C4'-P energy: -100.806 tors. eta vs tors. theta energy: -87.403 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: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1334.111903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.111903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.111903 (E_RNA) where: Base-Base interactions energy: -799.393 where: short stacking energy: -361.998 Base-Backbone interact. energy: -4.865 local terms energy: -529.853314 where: bonds (distance) C4'-P energy: -134.460 bonds (distance) P-C4' energy: -130.245 flat angles C4'-P-C4' energy: -144.513 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: -54.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1208.779614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.779614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.779614 (E_RNA) where: Base-Base interactions energy: -692.506 where: short stacking energy: -339.351 Base-Backbone interact. energy: 6.095 local terms energy: -522.368754 where: bonds (distance) C4'-P energy: -96.170 bonds (distance) P-C4' energy: -160.206 flat angles C4'-P-C4' energy: -144.178 flat angles P-C4'-P energy: -77.654 tors. eta vs tors. theta energy: -44.161 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: 4 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -758.321496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.321496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.321496 (E_RNA) where: Base-Base interactions energy: -327.339 where: short stacking energy: -196.709 Base-Backbone interact. energy: 8.173 local terms energy: -439.155772 where: bonds (distance) C4'-P energy: -128.550 bonds (distance) P-C4' energy: -130.800 flat angles C4'-P-C4' energy: -125.321 flat angles P-C4'-P energy: -74.371 tors. eta vs tors. theta energy: 19.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2937.109181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.109181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.109181 (E_RNA) where: Base-Base interactions energy: -2028.197 where: short stacking energy: -863.504 Base-Backbone interact. energy: -7.526 local terms energy: -901.386214 where: bonds (distance) C4'-P energy: -164.108 bonds (distance) P-C4' energy: -164.421 flat angles C4'-P-C4' energy: -198.244 flat angles P-C4'-P energy: -118.553 tors. eta vs tors. theta energy: -256.060 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: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2840.383042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.383042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.383042 (E_RNA) where: Base-Base interactions energy: -1948.675 where: short stacking energy: -821.765 Base-Backbone interact. energy: -1.958 local terms energy: -889.749738 where: bonds (distance) C4'-P energy: -154.062 bonds (distance) P-C4' energy: -157.380 flat angles C4'-P-C4' energy: -190.033 flat angles P-C4'-P energy: -136.642 tors. eta vs tors. theta energy: -251.633 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: 268 Temperature: 1.000000 Total energy: -2685.629412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.629412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.629412 (E_RNA) where: Base-Base interactions energy: -1839.732 where: short stacking energy: -799.664 Base-Backbone interact. energy: 0.385 local terms energy: -846.282272 where: bonds (distance) C4'-P energy: -154.831 bonds (distance) P-C4' energy: -164.069 flat angles C4'-P-C4' energy: -177.198 flat angles P-C4'-P energy: -109.989 tors. eta vs tors. theta energy: -240.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2493.028215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.028215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.028215 (E_RNA) where: Base-Base interactions energy: -1694.362 where: short stacking energy: -697.737 Base-Backbone interact. energy: -2.534 local terms energy: -796.132086 where: bonds (distance) C4'-P energy: -162.571 bonds (distance) P-C4' energy: -138.833 flat angles C4'-P-C4' energy: -185.988 flat angles P-C4'-P energy: -101.916 tors. eta vs tors. theta energy: -206.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2225.647507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.647507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.647507 (E_RNA) where: Base-Base interactions energy: -1477.125 where: short stacking energy: -633.955 Base-Backbone interact. energy: -5.633 local terms energy: -742.889180 where: bonds (distance) C4'-P energy: -137.526 bonds (distance) P-C4' energy: -150.010 flat angles C4'-P-C4' energy: -183.162 flat angles P-C4'-P energy: -99.246 tors. eta vs tors. theta energy: -172.944 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: 2 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2006.412488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.412488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.412488 (E_RNA) where: Base-Base interactions energy: -1316.287 where: short stacking energy: -562.475 Base-Backbone interact. energy: -0.999 local terms energy: -689.126124 where: bonds (distance) C4'-P energy: -156.552 bonds (distance) P-C4' energy: -139.552 flat angles C4'-P-C4' energy: -143.990 flat angles P-C4'-P energy: -95.722 tors. eta vs tors. theta energy: -153.310 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: 7, replica: 7 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1537.989470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.989470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.989470 (E_RNA) where: Base-Base interactions energy: -935.927 where: short stacking energy: -419.790 Base-Backbone interact. energy: 1.287 local terms energy: -603.349008 where: bonds (distance) C4'-P energy: -137.244 bonds (distance) P-C4' energy: -151.185 flat angles C4'-P-C4' energy: -146.642 flat angles P-C4'-P energy: -97.826 tors. eta vs tors. theta energy: -70.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1366.651512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.651512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.651512 (E_RNA) where: Base-Base interactions energy: -827.218 where: short stacking energy: -394.732 Base-Backbone interact. energy: -3.133 local terms energy: -536.300408 where: bonds (distance) C4'-P energy: -140.234 bonds (distance) P-C4' energy: -141.278 flat angles C4'-P-C4' energy: -136.471 flat angles P-C4'-P energy: -65.993 tors. eta vs tors. theta energy: -52.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1155.303209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.303209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.303209 (E_RNA) where: Base-Base interactions energy: -650.827 where: short stacking energy: -325.643 Base-Backbone interact. energy: 0.302 local terms energy: -504.778550 where: bonds (distance) C4'-P energy: -132.778 bonds (distance) P-C4' energy: -152.381 flat angles C4'-P-C4' energy: -131.215 flat angles P-C4'-P energy: -67.031 tors. eta vs tors. theta energy: -21.373 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: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -879.414865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.414865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.414865 (E_RNA) where: Base-Base interactions energy: -415.927 where: short stacking energy: -232.607 Base-Backbone interact. energy: -0.342 local terms energy: -463.146352 where: bonds (distance) C4'-P energy: -147.877 bonds (distance) P-C4' energy: -136.100 flat angles C4'-P-C4' energy: -124.658 flat angles P-C4'-P energy: -72.418 tors. eta vs tors. theta energy: 17.906 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: 1, replica: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2949.696946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.696946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.696946 (E_RNA) where: Base-Base interactions energy: -2032.177 where: short stacking energy: -838.959 Base-Backbone interact. energy: -1.996 local terms energy: -915.524197 where: bonds (distance) C4'-P energy: -157.308 bonds (distance) P-C4' energy: -157.095 flat angles C4'-P-C4' energy: -201.909 flat angles P-C4'-P energy: -139.492 tors. eta vs tors. theta energy: -259.720 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: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2823.289503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.289503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.289503 (E_RNA) where: Base-Base interactions energy: -1963.678 where: short stacking energy: -834.376 Base-Backbone interact. energy: -2.715 local terms energy: -856.896804 where: bonds (distance) C4'-P energy: -171.518 bonds (distance) P-C4' energy: -138.228 flat angles C4'-P-C4' energy: -168.034 flat angles P-C4'-P energy: -132.270 tors. eta vs tors. theta energy: -246.846 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: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2691.443341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.443341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.443341 (E_RNA) where: Base-Base interactions energy: -1817.834 where: short stacking energy: -786.824 Base-Backbone interact. energy: -5.323 local terms energy: -868.286465 where: bonds (distance) C4'-P energy: -147.544 bonds (distance) P-C4' energy: -168.962 flat angles C4'-P-C4' energy: -178.473 flat angles P-C4'-P energy: -135.171 tors. eta vs tors. theta energy: -238.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2518.921571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.921571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.921571 (E_RNA) where: Base-Base interactions energy: -1745.909 where: short stacking energy: -746.266 Base-Backbone interact. energy: -4.905 local terms energy: -768.107700 where: bonds (distance) C4'-P energy: -140.216 bonds (distance) P-C4' energy: -133.907 flat angles C4'-P-C4' energy: -176.161 flat angles P-C4'-P energy: -106.685 tors. eta vs tors. theta energy: -211.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2244.025309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.025309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.025309 (E_RNA) where: Base-Base interactions energy: -1487.199 where: short stacking energy: -666.336 Base-Backbone interact. energy: -0.951 local terms energy: -755.875211 where: bonds (distance) C4'-P energy: -142.802 bonds (distance) P-C4' energy: -140.192 flat angles C4'-P-C4' energy: -165.268 flat angles P-C4'-P energy: -124.744 tors. eta vs tors. theta energy: -182.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2066.367755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.367755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.367755 (E_RNA) where: Base-Base interactions energy: -1351.675 where: short stacking energy: -594.660 Base-Backbone interact. energy: 1.830 local terms energy: -716.522570 where: bonds (distance) C4'-P energy: -155.440 bonds (distance) P-C4' energy: -127.547 flat angles C4'-P-C4' energy: -161.464 flat angles P-C4'-P energy: -115.670 tors. eta vs tors. theta energy: -156.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1554.250930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.250930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.250930 (E_RNA) where: Base-Base interactions energy: -945.697 where: short stacking energy: -434.135 Base-Backbone interact. energy: -0.257 local terms energy: -608.296635 where: bonds (distance) C4'-P energy: -123.373 bonds (distance) P-C4' energy: -152.527 flat angles C4'-P-C4' energy: -138.844 flat angles P-C4'-P energy: -117.063 tors. eta vs tors. theta energy: -76.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1343.717215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.717215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.717215 (E_RNA) where: Base-Base interactions energy: -772.000 where: short stacking energy: -363.962 Base-Backbone interact. energy: 11.066 local terms energy: -582.783495 where: bonds (distance) C4'-P energy: -127.538 bonds (distance) P-C4' energy: -151.850 flat angles C4'-P-C4' energy: -143.620 flat angles P-C4'-P energy: -101.589 tors. eta vs tors. theta energy: -58.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1195.427692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.427692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.427692 (E_RNA) where: Base-Base interactions energy: -692.248 where: short stacking energy: -356.831 Base-Backbone interact. energy: 4.863 local terms energy: -508.042415 where: bonds (distance) C4'-P energy: -129.197 bonds (distance) P-C4' energy: -150.701 flat angles C4'-P-C4' energy: -119.617 flat angles P-C4'-P energy: -96.617 tors. eta vs tors. theta energy: -11.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -855.802584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.802584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.802584 (E_RNA) where: Base-Base interactions energy: -439.390 where: short stacking energy: -232.247 Base-Backbone interact. energy: -0.899 local terms energy: -415.513761 where: bonds (distance) C4'-P energy: -126.325 bonds (distance) P-C4' energy: -141.538 flat angles C4'-P-C4' energy: -118.776 flat angles P-C4'-P energy: -53.986 tors. eta vs tors. theta energy: 25.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2963.521224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.521224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.521224 (E_RNA) where: Base-Base interactions energy: -2052.741 where: short stacking energy: -862.528 Base-Backbone interact. energy: -2.176 local terms energy: -908.604816 where: bonds (distance) C4'-P energy: -146.093 bonds (distance) P-C4' energy: -178.974 flat angles C4'-P-C4' energy: -195.821 flat angles P-C4'-P energy: -122.970 tors. eta vs tors. theta energy: -264.747 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: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2852.445731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.445731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.445731 (E_RNA) where: Base-Base interactions energy: -1975.054 where: short stacking energy: -827.330 Base-Backbone interact. energy: -1.702 local terms energy: -875.690415 where: bonds (distance) C4'-P energy: -156.362 bonds (distance) P-C4' energy: -172.671 flat angles C4'-P-C4' energy: -183.158 flat angles P-C4'-P energy: -112.278 tors. eta vs tors. theta energy: -251.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2716.900204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.900204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.900204 (E_RNA) where: Base-Base interactions energy: -1860.308 where: short stacking energy: -827.609 Base-Backbone interact. energy: -4.933 local terms energy: -851.659761 where: bonds (distance) C4'-P energy: -152.231 bonds (distance) P-C4' energy: -167.298 flat angles C4'-P-C4' energy: -171.950 flat angles P-C4'-P energy: -102.472 tors. eta vs tors. theta energy: -257.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2504.551207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.551207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.551207 (E_RNA) where: Base-Base interactions energy: -1697.393 where: short stacking energy: -721.418 Base-Backbone interact. energy: -1.951 local terms energy: -805.207021 where: bonds (distance) C4'-P energy: -161.207 bonds (distance) P-C4' energy: -156.178 flat angles C4'-P-C4' energy: -180.996 flat angles P-C4'-P energy: -93.160 tors. eta vs tors. theta energy: -213.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2246.259945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.259945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.259945 (E_RNA) where: Base-Base interactions energy: -1509.356 where: short stacking energy: -678.780 Base-Backbone interact. energy: 0.486 local terms energy: -737.389603 where: bonds (distance) C4'-P energy: -159.586 bonds (distance) P-C4' energy: -145.725 flat angles C4'-P-C4' energy: -154.155 flat angles P-C4'-P energy: -99.614 tors. eta vs tors. theta energy: -178.309 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: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2067.308753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.308753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.308753 (E_RNA) where: Base-Base interactions energy: -1373.850 where: short stacking energy: -624.215 Base-Backbone interact. energy: -3.431 local terms energy: -690.027957 where: bonds (distance) C4'-P energy: -140.449 bonds (distance) P-C4' energy: -148.871 flat angles C4'-P-C4' energy: -158.128 flat angles P-C4'-P energy: -89.423 tors. eta vs tors. theta energy: -153.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1599.085331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.085331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.085331 (E_RNA) where: Base-Base interactions energy: -997.839 where: short stacking energy: -419.304 Base-Backbone interact. energy: -2.767 local terms energy: -598.479413 where: bonds (distance) C4'-P energy: -136.344 bonds (distance) P-C4' energy: -136.430 flat angles C4'-P-C4' energy: -152.057 flat angles P-C4'-P energy: -89.793 tors. eta vs tors. theta energy: -83.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1328.469523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.469523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.469523 (E_RNA) where: Base-Base interactions energy: -801.994 where: short stacking energy: -389.192 Base-Backbone interact. energy: 0.039 local terms energy: -526.514102 where: bonds (distance) C4'-P energy: -135.827 bonds (distance) P-C4' energy: -148.679 flat angles C4'-P-C4' energy: -122.166 flat angles P-C4'-P energy: -58.994 tors. eta vs tors. theta energy: -60.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1131.589412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.589412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.589412 (E_RNA) where: Base-Base interactions energy: -643.052 where: short stacking energy: -334.262 Base-Backbone interact. energy: 4.089 local terms energy: -492.626269 where: bonds (distance) C4'-P energy: -134.460 bonds (distance) P-C4' energy: -132.219 flat angles C4'-P-C4' energy: -131.663 flat angles P-C4'-P energy: -72.029 tors. eta vs tors. theta energy: -22.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -818.031453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.031453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.031453 (E_RNA) where: Base-Base interactions energy: -380.763 where: short stacking energy: -233.068 Base-Backbone interact. energy: 3.129 local terms energy: -440.397435 where: bonds (distance) C4'-P energy: -127.602 bonds (distance) P-C4' energy: -141.214 flat angles C4'-P-C4' energy: -117.824 flat angles P-C4'-P energy: -65.577 tors. eta vs tors. theta energy: 11.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2929.480278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.480278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.480278 (E_RNA) where: Base-Base interactions energy: -2016.313 where: short stacking energy: -833.322 Base-Backbone interact. energy: -0.902 local terms energy: -912.264710 where: bonds (distance) C4'-P energy: -166.991 bonds (distance) P-C4' energy: -171.491 flat angles C4'-P-C4' energy: -194.901 flat angles P-C4'-P energy: -135.153 tors. eta vs tors. theta energy: -243.727 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: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2865.018254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.018254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.018254 (E_RNA) where: Base-Base interactions energy: -1998.842 where: short stacking energy: -839.567 Base-Backbone interact. energy: -2.129 local terms energy: -864.047153 where: bonds (distance) C4'-P energy: -147.196 bonds (distance) P-C4' energy: -166.714 flat angles C4'-P-C4' energy: -185.900 flat angles P-C4'-P energy: -113.848 tors. eta vs tors. theta energy: -250.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2744.168733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.168733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.168733 (E_RNA) where: Base-Base interactions energy: -1888.393 where: short stacking energy: -815.843 Base-Backbone interact. energy: 5.960 local terms energy: -861.735771 where: bonds (distance) C4'-P energy: -159.195 bonds (distance) P-C4' energy: -151.917 flat angles C4'-P-C4' energy: -177.245 flat angles P-C4'-P energy: -122.946 tors. eta vs tors. theta energy: -250.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2533.011751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.011751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.011751 (E_RNA) where: Base-Base interactions energy: -1728.593 where: short stacking energy: -718.659 Base-Backbone interact. energy: 2.166 local terms energy: -806.584625 where: bonds (distance) C4'-P energy: -163.176 bonds (distance) P-C4' energy: -155.309 flat angles C4'-P-C4' energy: -168.275 flat angles P-C4'-P energy: -115.776 tors. eta vs tors. theta energy: -204.049 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: 9 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2248.449442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.449442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.449442 (E_RNA) where: Base-Base interactions energy: -1516.877 where: short stacking energy: -673.761 Base-Backbone interact. energy: 0.983 local terms energy: -732.555476 where: bonds (distance) C4'-P energy: -139.828 bonds (distance) P-C4' energy: -143.122 flat angles C4'-P-C4' energy: -150.954 flat angles P-C4'-P energy: -103.600 tors. eta vs tors. theta energy: -195.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2005.744488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.744488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.744488 (E_RNA) where: Base-Base interactions energy: -1312.665 where: short stacking energy: -561.150 Base-Backbone interact. energy: -4.821 local terms energy: -688.257888 where: bonds (distance) C4'-P energy: -138.585 bonds (distance) P-C4' energy: -149.261 flat angles C4'-P-C4' energy: -160.821 flat angles P-C4'-P energy: -114.960 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: 7, replica: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1582.372668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.372668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.372668 (E_RNA) where: Base-Base interactions energy: -1001.759 where: short stacking energy: -442.271 Base-Backbone interact. energy: -4.729 local terms energy: -575.884999 where: bonds (distance) C4'-P energy: -142.422 bonds (distance) P-C4' energy: -133.604 flat angles C4'-P-C4' energy: -138.097 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: -76.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1316.789262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.789262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.789262 (E_RNA) where: Base-Base interactions energy: -763.637 where: short stacking energy: -351.676 Base-Backbone interact. energy: 3.656 local terms energy: -556.808698 where: bonds (distance) C4'-P energy: -134.393 bonds (distance) P-C4' energy: -146.889 flat angles C4'-P-C4' energy: -139.304 flat angles P-C4'-P energy: -91.497 tors. eta vs tors. theta energy: -44.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1147.611008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.611008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.611008 (E_RNA) where: Base-Base interactions energy: -651.845 where: short stacking energy: -330.315 Base-Backbone interact. energy: -3.261 local terms energy: -492.504371 where: bonds (distance) C4'-P energy: -127.291 bonds (distance) P-C4' energy: -138.856 flat angles C4'-P-C4' energy: -115.063 flat angles P-C4'-P energy: -83.558 tors. eta vs tors. theta energy: -27.736 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: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -771.245001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.245001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.245001 (E_RNA) where: Base-Base interactions energy: -351.122 where: short stacking energy: -210.009 Base-Backbone interact. energy: 3.150 local terms energy: -423.272883 where: bonds (distance) C4'-P energy: -133.102 bonds (distance) P-C4' energy: -131.142 flat angles C4'-P-C4' energy: -97.419 flat angles P-C4'-P energy: -81.127 tors. eta vs tors. theta energy: 19.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2908.512669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.512669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.512669 (E_RNA) where: Base-Base interactions energy: -1986.542 where: short stacking energy: -839.833 Base-Backbone interact. energy: -2.451 local terms energy: -919.519305 where: bonds (distance) C4'-P energy: -161.928 bonds (distance) P-C4' energy: -176.991 flat angles C4'-P-C4' energy: -186.200 flat angles P-C4'-P energy: -138.041 tors. eta vs tors. theta energy: -256.359 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: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2839.956234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.956234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.956234 (E_RNA) where: Base-Base interactions energy: -1944.648 where: short stacking energy: -856.670 Base-Backbone interact. energy: -4.455 local terms energy: -890.853298 where: bonds (distance) C4'-P energy: -150.344 bonds (distance) P-C4' energy: -156.696 flat angles C4'-P-C4' energy: -192.939 flat angles P-C4'-P energy: -124.517 tors. eta vs tors. theta energy: -266.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2759.727630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.727630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.727630 (E_RNA) where: Base-Base interactions energy: -1911.382 where: short stacking energy: -847.260 Base-Backbone interact. energy: -2.910 local terms energy: -845.436190 where: bonds (distance) C4'-P energy: -164.523 bonds (distance) P-C4' energy: -144.153 flat angles C4'-P-C4' energy: -179.314 flat angles P-C4'-P energy: -113.221 tors. eta vs tors. theta energy: -244.226 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: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2521.658149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.658149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.658149 (E_RNA) where: Base-Base interactions energy: -1729.474 where: short stacking energy: -748.463 Base-Backbone interact. energy: 1.511 local terms energy: -793.695402 where: bonds (distance) C4'-P energy: -155.501 bonds (distance) P-C4' energy: -151.730 flat angles C4'-P-C4' energy: -175.269 flat angles P-C4'-P energy: -101.022 tors. eta vs tors. theta energy: -210.174 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: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2275.814540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.814540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.814540 (E_RNA) where: Base-Base interactions energy: -1518.594 where: short stacking energy: -686.673 Base-Backbone interact. energy: -2.702 local terms energy: -754.517777 where: bonds (distance) C4'-P energy: -135.283 bonds (distance) P-C4' energy: -155.103 flat angles C4'-P-C4' energy: -169.568 flat angles P-C4'-P energy: -101.457 tors. eta vs tors. theta energy: -193.106 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: 2 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2010.674533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.674533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.674533 (E_RNA) where: Base-Base interactions energy: -1292.374 where: short stacking energy: -563.074 Base-Backbone interact. energy: -5.410 local terms energy: -712.890447 where: bonds (distance) C4'-P energy: -154.236 bonds (distance) P-C4' energy: -165.499 flat angles C4'-P-C4' energy: -153.614 flat angles P-C4'-P energy: -98.975 tors. eta vs tors. theta energy: -140.566 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: 7, replica: 7 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1586.483464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.483464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.483464 (E_RNA) where: Base-Base interactions energy: -983.601 where: short stacking energy: -462.863 Base-Backbone interact. energy: 1.552 local terms energy: -604.434120 where: bonds (distance) C4'-P energy: -132.137 bonds (distance) P-C4' energy: -141.431 flat angles C4'-P-C4' energy: -147.848 flat angles P-C4'-P energy: -92.422 tors. eta vs tors. theta energy: -90.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1316.312427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.312427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.312427 (E_RNA) where: Base-Base interactions energy: -780.793 where: short stacking energy: -352.334 Base-Backbone interact. energy: -1.942 local terms energy: -533.577828 where: bonds (distance) C4'-P energy: -155.020 bonds (distance) P-C4' energy: -146.544 flat angles C4'-P-C4' energy: -118.077 flat angles P-C4'-P energy: -68.944 tors. eta vs tors. theta energy: -44.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1210.644021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.644021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.644021 (E_RNA) where: Base-Base interactions energy: -686.700 where: short stacking energy: -331.620 Base-Backbone interact. energy: 3.432 local terms energy: -527.375788 where: bonds (distance) C4'-P energy: -129.339 bonds (distance) P-C4' energy: -152.536 flat angles C4'-P-C4' energy: -147.000 flat angles P-C4'-P energy: -73.227 tors. eta vs tors. theta energy: -25.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -814.395925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.395925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.395925 (E_RNA) where: Base-Base interactions energy: -366.545 where: short stacking energy: -232.548 Base-Backbone interact. energy: 2.015 local terms energy: -449.866338 where: bonds (distance) C4'-P energy: -124.233 bonds (distance) P-C4' energy: -152.192 flat angles C4'-P-C4' energy: -134.573 flat angles P-C4'-P energy: -48.013 tors. eta vs tors. theta energy: 9.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2905.014586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.014586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.014586 (E_RNA) where: Base-Base interactions energy: -1990.563 where: short stacking energy: -850.003 Base-Backbone interact. energy: -5.398 local terms energy: -909.053131 where: bonds (distance) C4'-P energy: -172.704 bonds (distance) P-C4' energy: -164.093 flat angles C4'-P-C4' energy: -185.707 flat angles P-C4'-P energy: -129.369 tors. eta vs tors. theta energy: -257.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2840.091352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.091352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.091352 (E_RNA) where: Base-Base interactions energy: -1987.553 where: short stacking energy: -841.162 Base-Backbone interact. energy: -0.716 local terms energy: -851.821742 where: bonds (distance) C4'-P energy: -145.797 bonds (distance) P-C4' energy: -170.362 flat angles C4'-P-C4' energy: -188.783 flat angles P-C4'-P energy: -105.251 tors. eta vs tors. theta energy: -241.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2741.278164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.278164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.278164 (E_RNA) where: Base-Base interactions energy: -1849.942 where: short stacking energy: -796.157 Base-Backbone interact. energy: -0.724 local terms energy: -890.612015 where: bonds (distance) C4'-P energy: -149.836 bonds (distance) P-C4' energy: -163.373 flat angles C4'-P-C4' energy: -182.367 flat angles P-C4'-P energy: -133.749 tors. eta vs tors. theta energy: -261.287 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: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2507.285366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.285366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.285366 (E_RNA) where: Base-Base interactions energy: -1705.298 where: short stacking energy: -739.053 Base-Backbone interact. energy: -0.187 local terms energy: -801.800061 where: bonds (distance) C4'-P energy: -125.497 bonds (distance) P-C4' energy: -169.623 flat angles C4'-P-C4' energy: -166.982 flat angles P-C4'-P energy: -129.130 tors. eta vs tors. theta energy: -210.569 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: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2337.496805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.496805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.496805 (E_RNA) where: Base-Base interactions energy: -1556.771 where: short stacking energy: -689.646 Base-Backbone interact. energy: 2.570 local terms energy: -783.296338 where: bonds (distance) C4'-P energy: -135.173 bonds (distance) P-C4' energy: -154.706 flat angles C4'-P-C4' energy: -169.561 flat angles P-C4'-P energy: -107.821 tors. eta vs tors. theta energy: -216.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1932.984499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.984499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.984499 (E_RNA) where: Base-Base interactions energy: -1281.001 where: short stacking energy: -564.479 Base-Backbone interact. energy: 0.900 local terms energy: -652.883533 where: bonds (distance) C4'-P energy: -126.098 bonds (distance) P-C4' energy: -136.377 flat angles C4'-P-C4' energy: -158.975 flat angles P-C4'-P energy: -98.855 tors. eta vs tors. theta energy: -132.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1624.051223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.051223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.051223 (E_RNA) where: Base-Base interactions energy: -1040.881 where: short stacking energy: -471.448 Base-Backbone interact. energy: -1.632 local terms energy: -581.537740 where: bonds (distance) C4'-P energy: -134.686 bonds (distance) P-C4' energy: -141.024 flat angles C4'-P-C4' energy: -145.767 flat angles P-C4'-P energy: -82.044 tors. eta vs tors. theta energy: -78.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1353.676893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.676893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.676893 (E_RNA) where: Base-Base interactions energy: -793.164 where: short stacking energy: -382.267 Base-Backbone interact. energy: -3.160 local terms energy: -557.352898 where: bonds (distance) C4'-P energy: -134.875 bonds (distance) P-C4' energy: -129.973 flat angles C4'-P-C4' energy: -148.486 flat angles P-C4'-P energy: -99.568 tors. eta vs tors. theta energy: -44.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1196.808454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.808454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.808454 (E_RNA) where: Base-Base interactions energy: -708.320 where: short stacking energy: -313.873 Base-Backbone interact. energy: 2.404 local terms energy: -490.891976 where: bonds (distance) C4'-P energy: -132.443 bonds (distance) P-C4' energy: -133.932 flat angles C4'-P-C4' energy: -132.241 flat angles P-C4'-P energy: -70.860 tors. eta vs tors. theta energy: -21.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -825.444831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.444831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.444831 (E_RNA) where: Base-Base interactions energy: -384.812 where: short stacking energy: -203.361 Base-Backbone interact. energy: 11.733 local terms energy: -452.366040 where: bonds (distance) C4'-P energy: -145.438 bonds (distance) P-C4' energy: -143.268 flat angles C4'-P-C4' energy: -117.959 flat angles P-C4'-P energy: -72.477 tors. eta vs tors. theta energy: 26.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2914.637941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.637941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.637941 (E_RNA) where: Base-Base interactions energy: -2017.257 where: short stacking energy: -852.513 Base-Backbone interact. energy: -5.237 local terms energy: -892.143991 where: bonds (distance) C4'-P energy: -167.581 bonds (distance) P-C4' energy: -166.536 flat angles C4'-P-C4' energy: -180.439 flat angles P-C4'-P energy: -131.685 tors. eta vs tors. theta energy: -245.903 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: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2840.321689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.321689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.321689 (E_RNA) where: Base-Base interactions energy: -1954.651 where: short stacking energy: -820.443 Base-Backbone interact. energy: -1.204 local terms energy: -884.467020 where: bonds (distance) C4'-P energy: -159.421 bonds (distance) P-C4' energy: -157.441 flat angles C4'-P-C4' energy: -181.215 flat angles P-C4'-P energy: -131.993 tors. eta vs tors. theta energy: -254.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2736.111516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.111516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.111516 (E_RNA) where: Base-Base interactions energy: -1840.870 where: short stacking energy: -837.916 Base-Backbone interact. energy: -2.544 local terms energy: -892.697015 where: bonds (distance) C4'-P energy: -162.356 bonds (distance) P-C4' energy: -160.865 flat angles C4'-P-C4' energy: -193.194 flat angles P-C4'-P energy: -119.065 tors. eta vs tors. theta energy: -257.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2553.702461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.702461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.702461 (E_RNA) where: Base-Base interactions energy: -1725.277 where: short stacking energy: -750.613 Base-Backbone interact. energy: 2.220 local terms energy: -830.645246 where: bonds (distance) C4'-P energy: -137.368 bonds (distance) P-C4' energy: -172.015 flat angles C4'-P-C4' energy: -178.057 flat angles P-C4'-P energy: -119.957 tors. eta vs tors. theta energy: -223.247 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: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2320.061366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.061366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.061366 (E_RNA) where: Base-Base interactions energy: -1586.522 where: short stacking energy: -712.623 Base-Backbone interact. energy: -0.791 local terms energy: -732.747702 where: bonds (distance) C4'-P energy: -140.114 bonds (distance) P-C4' energy: -115.454 flat angles C4'-P-C4' energy: -165.758 flat angles P-C4'-P energy: -103.387 tors. eta vs tors. theta energy: -208.034 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: 2 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1979.403811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.403811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.403811 (E_RNA) where: Base-Base interactions energy: -1284.559 where: short stacking energy: -578.162 Base-Backbone interact. energy: -0.187 local terms energy: -694.658180 where: bonds (distance) C4'-P energy: -139.743 bonds (distance) P-C4' energy: -152.011 flat angles C4'-P-C4' energy: -169.803 flat angles P-C4'-P energy: -100.696 tors. eta vs tors. theta energy: -132.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1630.915883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.915883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.915883 (E_RNA) where: Base-Base interactions energy: -1007.322 where: short stacking energy: -456.871 Base-Backbone interact. energy: 7.592 local terms energy: -631.186648 where: bonds (distance) C4'-P energy: -140.957 bonds (distance) P-C4' energy: -143.640 flat angles C4'-P-C4' energy: -154.557 flat angles P-C4'-P energy: -97.748 tors. eta vs tors. theta energy: -94.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1342.522195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.522195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.522195 (E_RNA) where: Base-Base interactions energy: -775.985 where: short stacking energy: -366.210 Base-Backbone interact. energy: 2.602 local terms energy: -569.138819 where: bonds (distance) C4'-P energy: -144.813 bonds (distance) P-C4' energy: -138.449 flat angles C4'-P-C4' energy: -143.785 flat angles P-C4'-P energy: -93.944 tors. eta vs tors. theta energy: -48.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1100.326410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.326410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.326410 (E_RNA) where: Base-Base interactions energy: -573.568 where: short stacking energy: -313.360 Base-Backbone interact. energy: -3.831 local terms energy: -522.927771 where: bonds (distance) C4'-P energy: -128.574 bonds (distance) P-C4' energy: -132.534 flat angles C4'-P-C4' energy: -129.452 flat angles P-C4'-P energy: -91.203 tors. eta vs tors. theta energy: -41.165 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: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -794.131550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.131550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.131550 (E_RNA) where: Base-Base interactions energy: -336.152 where: short stacking energy: -222.511 Base-Backbone interact. energy: 1.907 local terms energy: -459.886597 where: bonds (distance) C4'-P energy: -138.699 bonds (distance) P-C4' energy: -147.780 flat angles C4'-P-C4' energy: -104.059 flat angles P-C4'-P energy: -68.064 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: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2930.089708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.089708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.089708 (E_RNA) where: Base-Base interactions energy: -2035.689 where: short stacking energy: -845.000 Base-Backbone interact. energy: -5.963 local terms energy: -888.437018 where: bonds (distance) C4'-P energy: -163.680 bonds (distance) P-C4' energy: -166.318 flat angles C4'-P-C4' energy: -192.991 flat angles P-C4'-P energy: -124.100 tors. eta vs tors. theta energy: -241.348 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: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2847.090494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.090494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.090494 (E_RNA) where: Base-Base interactions energy: -1980.719 where: short stacking energy: -815.278 Base-Backbone interact. energy: -3.002 local terms energy: -863.369189 where: bonds (distance) C4'-P energy: -155.644 bonds (distance) P-C4' energy: -156.391 flat angles C4'-P-C4' energy: -179.540 flat angles P-C4'-P energy: -127.515 tors. eta vs tors. theta energy: -244.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2714.796597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.796597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.796597 (E_RNA) where: Base-Base interactions energy: -1831.533 where: short stacking energy: -819.147 Base-Backbone interact. energy: -2.691 local terms energy: -880.573095 where: bonds (distance) C4'-P energy: -158.000 bonds (distance) P-C4' energy: -175.606 flat angles C4'-P-C4' energy: -174.867 flat angles P-C4'-P energy: -121.918 tors. eta vs tors. theta energy: -250.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2519.686495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.686495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.686495 (E_RNA) where: Base-Base interactions energy: -1678.236 where: short stacking energy: -729.717 Base-Backbone interact. energy: 2.283 local terms energy: -843.733734 where: bonds (distance) C4'-P energy: -174.137 bonds (distance) P-C4' energy: -156.061 flat angles C4'-P-C4' energy: -170.531 flat angles P-C4'-P energy: -130.149 tors. eta vs tors. theta energy: -212.855 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: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2311.818109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.818109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.818109 (E_RNA) where: Base-Base interactions energy: -1558.071 where: short stacking energy: -673.174 Base-Backbone interact. energy: -3.745 local terms energy: -750.002211 where: bonds (distance) C4'-P energy: -132.587 bonds (distance) P-C4' energy: -144.059 flat angles C4'-P-C4' energy: -156.662 flat angles P-C4'-P energy: -112.487 tors. eta vs tors. theta energy: -204.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1989.850431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.850431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.850431 (E_RNA) where: Base-Base interactions energy: -1307.166 where: short stacking energy: -569.389 Base-Backbone interact. energy: -0.540 local terms energy: -682.144399 where: bonds (distance) C4'-P energy: -150.258 bonds (distance) P-C4' energy: -141.055 flat angles C4'-P-C4' energy: -158.217 flat angles P-C4'-P energy: -87.008 tors. eta vs tors. theta energy: -145.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1626.385148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.385148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.385148 (E_RNA) where: Base-Base interactions energy: -1003.983 where: short stacking energy: -464.101 Base-Backbone interact. energy: 0.233 local terms energy: -622.635280 where: bonds (distance) C4'-P energy: -139.193 bonds (distance) P-C4' energy: -144.362 flat angles C4'-P-C4' energy: -149.891 flat angles P-C4'-P energy: -98.908 tors. eta vs tors. theta energy: -90.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1347.492422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.492422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.492422 (E_RNA) where: Base-Base interactions energy: -821.477 where: short stacking energy: -411.297 Base-Backbone interact. energy: -2.649 local terms energy: -523.365940 where: bonds (distance) C4'-P energy: -146.908 bonds (distance) P-C4' energy: -133.460 flat angles C4'-P-C4' energy: -130.837 flat angles P-C4'-P energy: -41.142 tors. eta vs tors. theta energy: -71.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1158.882690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.882690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.882690 (E_RNA) where: Base-Base interactions energy: -641.569 where: short stacking energy: -326.253 Base-Backbone interact. energy: 4.224 local terms energy: -521.537922 where: bonds (distance) C4'-P energy: -125.962 bonds (distance) P-C4' energy: -155.008 flat angles C4'-P-C4' energy: -132.974 flat angles P-C4'-P energy: -54.954 tors. eta vs tors. theta energy: -52.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -805.912744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.912744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.912744 (E_RNA) where: Base-Base interactions energy: -394.374 where: short stacking energy: -218.865 Base-Backbone interact. energy: 1.271 local terms energy: -412.809917 where: bonds (distance) C4'-P energy: -116.090 bonds (distance) P-C4' energy: -136.554 flat angles C4'-P-C4' energy: -113.342 flat angles P-C4'-P energy: -64.120 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: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2927.745595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.745595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.745595 (E_RNA) where: Base-Base interactions energy: -2029.448 where: short stacking energy: -851.370 Base-Backbone interact. energy: -1.099 local terms energy: -897.198309 where: bonds (distance) C4'-P energy: -170.719 bonds (distance) P-C4' energy: -156.933 flat angles C4'-P-C4' energy: -190.314 flat angles P-C4'-P energy: -130.522 tors. eta vs tors. theta energy: -248.711 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: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2860.722271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.722271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.722271 (E_RNA) where: Base-Base interactions energy: -1974.464 where: short stacking energy: -829.577 Base-Backbone interact. energy: -1.822 local terms energy: -884.436892 where: bonds (distance) C4'-P energy: -165.423 bonds (distance) P-C4' energy: -165.223 flat angles C4'-P-C4' energy: -189.635 flat angles P-C4'-P energy: -109.675 tors. eta vs tors. theta energy: -254.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2724.007526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.007526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.007526 (E_RNA) where: Base-Base interactions energy: -1888.130 where: short stacking energy: -806.601 Base-Backbone interact. energy: -3.542 local terms energy: -832.334873 where: bonds (distance) C4'-P energy: -148.804 bonds (distance) P-C4' energy: -147.018 flat angles C4'-P-C4' energy: -173.528 flat angles P-C4'-P energy: -112.532 tors. eta vs tors. theta energy: -250.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2508.757904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.757904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.757904 (E_RNA) where: Base-Base interactions energy: -1668.865 where: short stacking energy: -718.652 Base-Backbone interact. energy: -1.576 local terms energy: -838.317298 where: bonds (distance) C4'-P energy: -136.949 bonds (distance) P-C4' energy: -173.381 flat angles C4'-P-C4' energy: -185.464 flat angles P-C4'-P energy: -121.945 tors. eta vs tors. theta energy: -220.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2286.014051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.014051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.014051 (E_RNA) where: Base-Base interactions energy: -1489.276 where: short stacking energy: -649.022 Base-Backbone interact. energy: -1.267 local terms energy: -795.471085 where: bonds (distance) C4'-P energy: -163.788 bonds (distance) P-C4' energy: -169.382 flat angles C4'-P-C4' energy: -171.225 flat angles P-C4'-P energy: -104.284 tors. eta vs tors. theta energy: -186.793 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: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2059.432922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.432922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.432922 (E_RNA) where: Base-Base interactions energy: -1351.252 where: short stacking energy: -603.390 Base-Backbone interact. energy: -0.468 local terms energy: -707.713131 where: bonds (distance) C4'-P energy: -147.903 bonds (distance) P-C4' energy: -155.868 flat angles C4'-P-C4' energy: -159.039 flat angles P-C4'-P energy: -94.454 tors. eta vs tors. theta energy: -150.450 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: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1589.204672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.204672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.204672 (E_RNA) where: Base-Base interactions energy: -1001.917 where: short stacking energy: -456.500 Base-Backbone interact. energy: 3.012 local terms energy: -590.299764 where: bonds (distance) C4'-P energy: -112.174 bonds (distance) P-C4' energy: -147.479 flat angles C4'-P-C4' energy: -128.628 flat angles P-C4'-P energy: -103.367 tors. eta vs tors. theta energy: -98.652 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: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1376.520554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.520554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.520554 (E_RNA) where: Base-Base interactions energy: -836.892 where: short stacking energy: -419.978 Base-Backbone interact. energy: -1.236 local terms energy: -538.392114 where: bonds (distance) C4'-P energy: -129.138 bonds (distance) P-C4' energy: -127.114 flat angles C4'-P-C4' energy: -131.663 flat angles P-C4'-P energy: -74.731 tors. eta vs tors. theta energy: -75.745 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: 276 Temperature: 1.300000 Total energy: -1129.193929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.193929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.193929 (E_RNA) where: Base-Base interactions energy: -610.475 where: short stacking energy: -323.539 Base-Backbone interact. energy: 3.239 local terms energy: -521.958082 where: bonds (distance) C4'-P energy: -137.245 bonds (distance) P-C4' energy: -139.447 flat angles C4'-P-C4' energy: -115.485 flat angles P-C4'-P energy: -98.954 tors. eta vs tors. theta energy: -30.828 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: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -790.477157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.477157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.477157 (E_RNA) where: Base-Base interactions energy: -349.633 where: short stacking energy: -221.323 Base-Backbone interact. energy: 3.800 local terms energy: -444.644675 where: bonds (distance) C4'-P energy: -137.692 bonds (distance) P-C4' energy: -153.380 flat angles C4'-P-C4' energy: -89.011 flat angles P-C4'-P energy: -86.032 tors. eta vs tors. theta energy: 21.471 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: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2897.143214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.143214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.143214 (E_RNA) where: Base-Base interactions energy: -1979.833 where: short stacking energy: -808.783 Base-Backbone interact. energy: -4.998 local terms energy: -912.311895 where: bonds (distance) C4'-P energy: -168.985 bonds (distance) P-C4' energy: -173.281 flat angles C4'-P-C4' energy: -190.315 flat angles P-C4'-P energy: -130.994 tors. eta vs tors. theta energy: -248.737 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: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2848.096636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.096636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.096636 (E_RNA) where: Base-Base interactions energy: -1971.791 where: short stacking energy: -812.081 Base-Backbone interact. energy: -4.200 local terms energy: -872.105935 where: bonds (distance) C4'-P energy: -161.422 bonds (distance) P-C4' energy: -166.674 flat angles C4'-P-C4' energy: -178.544 flat angles P-C4'-P energy: -116.365 tors. eta vs tors. theta energy: -249.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2768.937480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.937480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.937480 (E_RNA) where: Base-Base interactions energy: -1895.357 where: short stacking energy: -827.403 Base-Backbone interact. energy: -3.505 local terms energy: -870.075061 where: bonds (distance) C4'-P energy: -159.670 bonds (distance) P-C4' energy: -161.590 flat angles C4'-P-C4' energy: -178.045 flat angles P-C4'-P energy: -118.969 tors. eta vs tors. theta energy: -251.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2489.441516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.441516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.441516 (E_RNA) where: Base-Base interactions energy: -1691.927 where: short stacking energy: -721.363 Base-Backbone interact. energy: -1.216 local terms energy: -796.298207 where: bonds (distance) C4'-P energy: -142.207 bonds (distance) P-C4' energy: -156.121 flat angles C4'-P-C4' energy: -175.748 flat angles P-C4'-P energy: -106.722 tors. eta vs tors. theta energy: -215.500 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: 9 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2268.291178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.291178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.291178 (E_RNA) where: Base-Base interactions energy: -1492.074 where: short stacking energy: -666.266 Base-Backbone interact. energy: -1.520 local terms energy: -774.697659 where: bonds (distance) C4'-P energy: -162.879 bonds (distance) P-C4' energy: -154.100 flat angles C4'-P-C4' energy: -167.003 flat angles P-C4'-P energy: -112.187 tors. eta vs tors. theta energy: -178.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2036.888532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.888532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.888532 (E_RNA) where: Base-Base interactions energy: -1334.163 where: short stacking energy: -604.390 Base-Backbone interact. energy: -4.867 local terms energy: -697.858422 where: bonds (distance) C4'-P energy: -138.962 bonds (distance) P-C4' energy: -141.447 flat angles C4'-P-C4' energy: -166.412 flat angles P-C4'-P energy: -101.250 tors. eta vs tors. theta energy: -149.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1580.924026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.924026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.924026 (E_RNA) where: Base-Base interactions energy: -965.993 where: short stacking energy: -411.566 Base-Backbone interact. energy: 3.978 local terms energy: -618.909430 where: bonds (distance) C4'-P energy: -116.608 bonds (distance) P-C4' energy: -170.059 flat angles C4'-P-C4' energy: -152.657 flat angles P-C4'-P energy: -102.212 tors. eta vs tors. theta energy: -77.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1374.393084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.393084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.393084 (E_RNA) where: Base-Base interactions energy: -827.518 where: short stacking energy: -380.652 Base-Backbone interact. energy: 0.477 local terms energy: -547.352746 where: bonds (distance) C4'-P energy: -119.915 bonds (distance) P-C4' energy: -144.947 flat angles C4'-P-C4' energy: -138.177 flat angles P-C4'-P energy: -76.280 tors. eta vs tors. theta energy: -68.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1059.469458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.469458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.469458 (E_RNA) where: Base-Base interactions energy: -545.089 where: short stacking energy: -288.895 Base-Backbone interact. energy: 0.269 local terms energy: -514.649714 where: bonds (distance) C4'-P energy: -128.196 bonds (distance) P-C4' energy: -145.132 flat angles C4'-P-C4' energy: -130.268 flat angles P-C4'-P energy: -71.307 tors. eta vs tors. theta energy: -39.747 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: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -809.402628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.402628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.402628 (E_RNA) where: Base-Base interactions energy: -377.568 where: short stacking energy: -232.001 Base-Backbone interact. energy: 0.861 local terms energy: -432.695893 where: bonds (distance) C4'-P energy: -131.290 bonds (distance) P-C4' energy: -145.324 flat angles C4'-P-C4' energy: -99.117 flat angles P-C4'-P energy: -56.401 tors. eta vs tors. theta energy: -0.564 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: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2919.648964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.648964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.648964 (E_RNA) where: Base-Base interactions energy: -2037.845 where: short stacking energy: -841.837 Base-Backbone interact. energy: -0.280 local terms energy: -881.524757 where: bonds (distance) C4'-P energy: -166.905 bonds (distance) P-C4' energy: -165.907 flat angles C4'-P-C4' energy: -173.759 flat angles P-C4'-P energy: -122.960 tors. eta vs tors. theta energy: -251.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2847.150980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.150980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.150980 (E_RNA) where: Base-Base interactions energy: -1947.854 where: short stacking energy: -801.019 Base-Backbone interact. energy: -6.072 local terms energy: -893.225396 where: bonds (distance) C4'-P energy: -170.472 bonds (distance) P-C4' energy: -162.297 flat angles C4'-P-C4' energy: -192.862 flat angles P-C4'-P energy: -126.075 tors. eta vs tors. theta energy: -241.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2778.489125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.489125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.489125 (E_RNA) where: Base-Base interactions energy: -1877.400 where: short stacking energy: -809.431 Base-Backbone interact. energy: -1.912 local terms energy: -899.177092 where: bonds (distance) C4'-P energy: -172.595 bonds (distance) P-C4' energy: -161.556 flat angles C4'-P-C4' energy: -182.982 flat angles P-C4'-P energy: -122.551 tors. eta vs tors. theta energy: -259.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2474.077585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.077585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.077585 (E_RNA) where: Base-Base interactions energy: -1704.960 where: short stacking energy: -707.562 Base-Backbone interact. energy: -4.079 local terms energy: -765.038274 where: bonds (distance) C4'-P energy: -135.238 bonds (distance) P-C4' energy: -159.927 flat angles C4'-P-C4' energy: -173.924 flat angles P-C4'-P energy: -97.959 tors. eta vs tors. theta energy: -197.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2188.996254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.996254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.996254 (E_RNA) where: Base-Base interactions energy: -1468.834 where: short stacking energy: -631.839 Base-Backbone interact. energy: -0.290 local terms energy: -719.871916 where: bonds (distance) C4'-P energy: -120.041 bonds (distance) P-C4' energy: -164.396 flat angles C4'-P-C4' energy: -158.745 flat angles P-C4'-P energy: -103.112 tors. eta vs tors. theta energy: -173.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2055.995144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.995144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.995144 (E_RNA) where: Base-Base interactions energy: -1339.767 where: short stacking energy: -589.621 Base-Backbone interact. energy: -6.142 local terms energy: -710.086137 where: bonds (distance) C4'-P energy: -153.484 bonds (distance) P-C4' energy: -157.987 flat angles C4'-P-C4' energy: -153.188 flat angles P-C4'-P energy: -105.373 tors. eta vs tors. theta energy: -140.054 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: 7 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1575.883044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.883044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.883044 (E_RNA) where: Base-Base interactions energy: -962.790 where: short stacking energy: -434.989 Base-Backbone interact. energy: -2.915 local terms energy: -610.177663 where: bonds (distance) C4'-P energy: -134.495 bonds (distance) P-C4' energy: -154.091 flat angles C4'-P-C4' energy: -133.718 flat angles P-C4'-P energy: -99.200 tors. eta vs tors. theta energy: -88.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1365.012848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.012848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.012848 (E_RNA) where: Base-Base interactions energy: -803.360 where: short stacking energy: -387.294 Base-Backbone interact. energy: 1.454 local terms energy: -563.107661 where: bonds (distance) C4'-P energy: -131.156 bonds (distance) P-C4' energy: -129.313 flat angles C4'-P-C4' energy: -142.141 flat angles P-C4'-P energy: -96.497 tors. eta vs tors. theta energy: -64.002 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: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1086.296325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.296325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.296325 (E_RNA) where: Base-Base interactions energy: -574.882 where: short stacking energy: -298.017 Base-Backbone interact. energy: 0.106 local terms energy: -511.520163 where: bonds (distance) C4'-P energy: -121.398 bonds (distance) P-C4' energy: -141.342 flat angles C4'-P-C4' energy: -132.478 flat angles P-C4'-P energy: -78.401 tors. eta vs tors. theta energy: -37.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -826.009424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.009424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.009424 (E_RNA) where: Base-Base interactions energy: -373.956 where: short stacking energy: -217.401 Base-Backbone interact. energy: 6.254 local terms energy: -458.307727 where: bonds (distance) C4'-P energy: -133.585 bonds (distance) P-C4' energy: -129.669 flat angles C4'-P-C4' energy: -141.737 flat angles P-C4'-P energy: -54.167 tors. eta vs tors. theta energy: 0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2946.083920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.083920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.083920 (E_RNA) where: Base-Base interactions energy: -2042.422 where: short stacking energy: -850.144 Base-Backbone interact. energy: -3.601 local terms energy: -900.060778 where: bonds (distance) C4'-P energy: -167.155 bonds (distance) P-C4' energy: -159.903 flat angles C4'-P-C4' energy: -192.423 flat angles P-C4'-P energy: -140.950 tors. eta vs tors. theta energy: -239.630 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: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2819.959743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.959743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.959743 (E_RNA) where: Base-Base interactions energy: -1917.047 where: short stacking energy: -792.874 Base-Backbone interact. energy: -0.335 local terms energy: -902.577562 where: bonds (distance) C4'-P energy: -161.825 bonds (distance) P-C4' energy: -173.551 flat angles C4'-P-C4' energy: -196.710 flat angles P-C4'-P energy: -125.328 tors. eta vs tors. theta energy: -245.163 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: 8 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2720.460027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.460027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.460027 (E_RNA) where: Base-Base interactions energy: -1815.360 where: short stacking energy: -787.494 Base-Backbone interact. energy: -2.405 local terms energy: -902.694853 where: bonds (distance) C4'-P energy: -165.589 bonds (distance) P-C4' energy: -167.781 flat angles C4'-P-C4' energy: -182.886 flat angles P-C4'-P energy: -133.935 tors. eta vs tors. theta energy: -252.504 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: 4, replica: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2494.696726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.696726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.696726 (E_RNA) where: Base-Base interactions energy: -1686.803 where: short stacking energy: -693.381 Base-Backbone interact. energy: -2.974 local terms energy: -804.919462 where: bonds (distance) C4'-P energy: -167.375 bonds (distance) P-C4' energy: -151.212 flat angles C4'-P-C4' energy: -183.308 flat angles P-C4'-P energy: -111.157 tors. eta vs tors. theta energy: -191.867 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: 9 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2289.091827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.091827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.091827 (E_RNA) where: Base-Base interactions energy: -1569.098 where: short stacking energy: -661.823 Base-Backbone interact. energy: -4.678 local terms energy: -715.316758 where: bonds (distance) C4'-P energy: -129.478 bonds (distance) P-C4' energy: -145.920 flat angles C4'-P-C4' energy: -154.663 flat angles P-C4'-P energy: -99.628 tors. eta vs tors. theta energy: -185.627 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: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2105.479334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.479334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.479334 (E_RNA) where: Base-Base interactions energy: -1374.767 where: short stacking energy: -595.160 Base-Backbone interact. energy: -5.888 local terms energy: -724.824275 where: bonds (distance) C4'-P energy: -150.492 bonds (distance) P-C4' energy: -150.812 flat angles C4'-P-C4' energy: -162.177 flat angles P-C4'-P energy: -102.828 tors. eta vs tors. theta energy: -158.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1555.312899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.312899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.312899 (E_RNA) where: Base-Base interactions energy: -936.312 where: short stacking energy: -399.188 Base-Backbone interact. energy: 1.005 local terms energy: -620.005763 where: bonds (distance) C4'-P energy: -153.647 bonds (distance) P-C4' energy: -129.151 flat angles C4'-P-C4' energy: -145.648 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: -93.900 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: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1391.204530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.204530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.204530 (E_RNA) where: Base-Base interactions energy: -815.150 where: short stacking energy: -420.119 Base-Backbone interact. energy: 4.307 local terms energy: -580.361345 where: bonds (distance) C4'-P energy: -135.098 bonds (distance) P-C4' energy: -147.042 flat angles C4'-P-C4' energy: -133.468 flat angles P-C4'-P energy: -77.410 tors. eta vs tors. theta energy: -87.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1140.911880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.911880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.911880 (E_RNA) where: Base-Base interactions energy: -637.544 where: short stacking energy: -331.772 Base-Backbone interact. energy: 3.623 local terms energy: -506.991274 where: bonds (distance) C4'-P energy: -135.012 bonds (distance) P-C4' energy: -139.283 flat angles C4'-P-C4' energy: -103.275 flat angles P-C4'-P energy: -98.035 tors. eta vs tors. theta energy: -31.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -800.283117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.283117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.283117 (E_RNA) where: Base-Base interactions energy: -372.545 where: short stacking energy: -217.606 Base-Backbone interact. energy: 7.797 local terms energy: -435.535402 where: bonds (distance) C4'-P energy: -116.197 bonds (distance) P-C4' energy: -128.903 flat angles C4'-P-C4' energy: -110.302 flat angles P-C4'-P energy: -78.666 tors. eta vs tors. theta energy: -1.467 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: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2970.666911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.666911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.666911 (E_RNA) where: Base-Base interactions energy: -2034.523 where: short stacking energy: -852.049 Base-Backbone interact. energy: -1.702 local terms energy: -934.441826 where: bonds (distance) C4'-P energy: -177.248 bonds (distance) P-C4' energy: -168.146 flat angles C4'-P-C4' energy: -202.755 flat angles P-C4'-P energy: -127.147 tors. eta vs tors. theta energy: -259.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2834.975506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.975506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.975506 (E_RNA) where: Base-Base interactions energy: -1965.440 where: short stacking energy: -800.524 Base-Backbone interact. energy: -3.243 local terms energy: -866.292901 where: bonds (distance) C4'-P energy: -166.433 bonds (distance) P-C4' energy: -169.331 flat angles C4'-P-C4' energy: -176.371 flat angles P-C4'-P energy: -111.076 tors. eta vs tors. theta energy: -243.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2652.626764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.626764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.626764 (E_RNA) where: Base-Base interactions energy: -1808.206 where: short stacking energy: -759.992 Base-Backbone interact. energy: -3.410 local terms energy: -841.010792 where: bonds (distance) C4'-P energy: -160.696 bonds (distance) P-C4' energy: -161.393 flat angles C4'-P-C4' energy: -173.399 flat angles P-C4'-P energy: -123.900 tors. eta vs tors. theta energy: -221.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2447.538095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.538095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.538095 (E_RNA) where: Base-Base interactions energy: -1687.813 where: short stacking energy: -714.061 Base-Backbone interact. energy: -2.851 local terms energy: -756.874443 where: bonds (distance) C4'-P energy: -150.459 bonds (distance) P-C4' energy: -128.631 flat angles C4'-P-C4' energy: -174.407 flat angles P-C4'-P energy: -100.471 tors. eta vs tors. theta energy: -202.907 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: 5, replica: 9 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2314.087846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.087846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.087846 (E_RNA) where: Base-Base interactions energy: -1574.223 where: short stacking energy: -677.886 Base-Backbone interact. energy: -0.647 local terms energy: -739.218151 where: bonds (distance) C4'-P energy: -146.983 bonds (distance) P-C4' energy: -139.943 flat angles C4'-P-C4' energy: -150.237 flat angles P-C4'-P energy: -101.967 tors. eta vs tors. theta energy: -200.089 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: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2102.025154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.025154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.025154 (E_RNA) where: Base-Base interactions energy: -1410.670 where: short stacking energy: -619.891 Base-Backbone interact. energy: -0.586 local terms energy: -690.769385 where: bonds (distance) C4'-P energy: -128.908 bonds (distance) P-C4' energy: -155.255 flat angles C4'-P-C4' energy: -164.161 flat angles P-C4'-P energy: -106.948 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: 7, replica: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1579.044105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.044105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.044105 (E_RNA) where: Base-Base interactions energy: -989.149 where: short stacking energy: -458.072 Base-Backbone interact. energy: -0.782 local terms energy: -589.113463 where: bonds (distance) C4'-P energy: -116.992 bonds (distance) P-C4' energy: -150.749 flat angles C4'-P-C4' energy: -138.173 flat angles P-C4'-P energy: -82.020 tors. eta vs tors. theta energy: -101.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1381.000244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.000244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.000244 (E_RNA) where: Base-Base interactions energy: -836.736 where: short stacking energy: -388.663 Base-Backbone interact. energy: -2.343 local terms energy: -541.921268 where: bonds (distance) C4'-P energy: -147.030 bonds (distance) P-C4' energy: -132.401 flat angles C4'-P-C4' energy: -131.630 flat angles P-C4'-P energy: -87.198 tors. eta vs tors. theta energy: -43.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1126.406178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.406178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.406178 (E_RNA) where: Base-Base interactions energy: -619.126 where: short stacking energy: -301.554 Base-Backbone interact. energy: 1.370 local terms energy: -508.650933 where: bonds (distance) C4'-P energy: -133.560 bonds (distance) P-C4' energy: -147.621 flat angles C4'-P-C4' energy: -135.738 flat angles P-C4'-P energy: -68.638 tors. eta vs tors. theta energy: -23.093 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: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -812.212963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.212963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.212963 (E_RNA) where: Base-Base interactions energy: -371.190 where: short stacking energy: -239.392 Base-Backbone interact. energy: 0.612 local terms energy: -441.635069 where: bonds (distance) C4'-P energy: -134.329 bonds (distance) P-C4' energy: -134.316 flat angles C4'-P-C4' energy: -127.349 flat angles P-C4'-P energy: -57.488 tors. eta vs tors. theta energy: 11.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2929.147732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.147732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.147732 (E_RNA) where: Base-Base interactions energy: -2019.368 where: short stacking energy: -865.462 Base-Backbone interact. energy: -0.634 local terms energy: -909.146000 where: bonds (distance) C4'-P energy: -168.640 bonds (distance) P-C4' energy: -153.984 flat angles C4'-P-C4' energy: -191.329 flat angles P-C4'-P energy: -132.165 tors. eta vs tors. theta energy: -263.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2880.500984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.500984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.500984 (E_RNA) where: Base-Base interactions energy: -2006.361 where: short stacking energy: -826.627 Base-Backbone interact. energy: -2.378 local terms energy: -871.762341 where: bonds (distance) C4'-P energy: -156.008 bonds (distance) P-C4' energy: -150.214 flat angles C4'-P-C4' energy: -196.122 flat angles P-C4'-P energy: -111.574 tors. eta vs tors. theta energy: -257.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2686.066111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.066111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.066111 (E_RNA) where: Base-Base interactions energy: -1840.435 where: short stacking energy: -813.427 Base-Backbone interact. energy: -1.192 local terms energy: -844.438521 where: bonds (distance) C4'-P energy: -153.677 bonds (distance) P-C4' energy: -150.248 flat angles C4'-P-C4' energy: -176.795 flat angles P-C4'-P energy: -126.453 tors. eta vs tors. theta energy: -237.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2473.797723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.797723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.797723 (E_RNA) where: Base-Base interactions energy: -1677.583 where: short stacking energy: -694.640 Base-Backbone interact. energy: -0.576 local terms energy: -795.638119 where: bonds (distance) C4'-P energy: -162.113 bonds (distance) P-C4' energy: -156.680 flat angles C4'-P-C4' energy: -166.255 flat angles P-C4'-P energy: -105.530 tors. eta vs tors. theta energy: -205.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2283.756374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.756374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.756374 (E_RNA) where: Base-Base interactions energy: -1526.471 where: short stacking energy: -658.086 Base-Backbone interact. energy: 3.421 local terms energy: -760.707146 where: bonds (distance) C4'-P energy: -135.671 bonds (distance) P-C4' energy: -162.621 flat angles C4'-P-C4' energy: -169.061 flat angles P-C4'-P energy: -112.626 tors. eta vs tors. theta energy: -180.729 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: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2088.449590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.449590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.449590 (E_RNA) where: Base-Base interactions energy: -1410.224 where: short stacking energy: -603.419 Base-Backbone interact. energy: -1.815 local terms energy: -676.410293 where: bonds (distance) C4'-P energy: -143.831 bonds (distance) P-C4' energy: -130.388 flat angles C4'-P-C4' energy: -160.398 flat angles P-C4'-P energy: -91.816 tors. eta vs tors. theta energy: -149.978 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: 281 Temperature: 1.200000 Total energy: -1604.441919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.441919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.441919 (E_RNA) where: Base-Base interactions energy: -997.703 where: short stacking energy: -476.397 Base-Backbone interact. energy: 3.514 local terms energy: -610.252702 where: bonds (distance) C4'-P energy: -121.126 bonds (distance) P-C4' energy: -140.723 flat angles C4'-P-C4' energy: -151.733 flat angles P-C4'-P energy: -108.866 tors. eta vs tors. theta energy: -87.804 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: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1342.299699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.299699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.299699 (E_RNA) where: Base-Base interactions energy: -777.885 where: short stacking energy: -380.079 Base-Backbone interact. energy: -4.644 local terms energy: -559.770047 where: bonds (distance) C4'-P energy: -130.018 bonds (distance) P-C4' energy: -139.407 flat angles C4'-P-C4' energy: -139.361 flat angles P-C4'-P energy: -82.030 tors. eta vs tors. theta energy: -68.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1091.106219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.106219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.106219 (E_RNA) where: Base-Base interactions energy: -596.853 where: short stacking energy: -296.047 Base-Backbone interact. energy: 2.397 local terms energy: -496.650036 where: bonds (distance) C4'-P energy: -142.066 bonds (distance) P-C4' energy: -134.811 flat angles C4'-P-C4' energy: -140.126 flat angles P-C4'-P energy: -66.843 tors. eta vs tors. theta energy: -12.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -820.875137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.875137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.875137 (E_RNA) where: Base-Base interactions energy: -377.690 where: short stacking energy: -212.536 Base-Backbone interact. energy: 1.966 local terms energy: -445.151227 where: bonds (distance) C4'-P energy: -130.871 bonds (distance) P-C4' energy: -151.240 flat angles C4'-P-C4' energy: -95.825 flat angles P-C4'-P energy: -92.379 tors. eta vs tors. theta energy: 25.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2912.938459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.938459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.938459 (E_RNA) where: Base-Base interactions energy: -1999.955 where: short stacking energy: -845.845 Base-Backbone interact. energy: -2.437 local terms energy: -910.546683 where: bonds (distance) C4'-P energy: -171.378 bonds (distance) P-C4' energy: -159.089 flat angles C4'-P-C4' energy: -194.934 flat angles P-C4'-P energy: -129.704 tors. eta vs tors. theta energy: -255.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2869.060092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.060092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.060092 (E_RNA) where: Base-Base interactions energy: -1982.623 where: short stacking energy: -837.156 Base-Backbone interact. energy: -4.133 local terms energy: -882.304005 where: bonds (distance) C4'-P energy: -160.051 bonds (distance) P-C4' energy: -159.045 flat angles C4'-P-C4' energy: -180.656 flat angles P-C4'-P energy: -132.199 tors. eta vs tors. theta energy: -250.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2705.214315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.214315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.214315 (E_RNA) where: Base-Base interactions energy: -1856.418 where: short stacking energy: -794.131 Base-Backbone interact. energy: 1.096 local terms energy: -849.892275 where: bonds (distance) C4'-P energy: -141.836 bonds (distance) P-C4' energy: -142.785 flat angles C4'-P-C4' energy: -184.721 flat angles P-C4'-P energy: -129.996 tors. eta vs tors. theta energy: -250.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2494.323405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.323405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.323405 (E_RNA) where: Base-Base interactions energy: -1697.371 where: short stacking energy: -710.254 Base-Backbone interact. energy: -0.535 local terms energy: -796.417351 where: bonds (distance) C4'-P energy: -132.857 bonds (distance) P-C4' energy: -160.050 flat angles C4'-P-C4' energy: -172.590 flat angles P-C4'-P energy: -116.867 tors. eta vs tors. theta energy: -214.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2276.326904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.326904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.326904 (E_RNA) where: Base-Base interactions energy: -1526.651 where: short stacking energy: -685.132 Base-Backbone interact. energy: 3.717 local terms energy: -753.392749 where: bonds (distance) C4'-P energy: -152.030 bonds (distance) P-C4' energy: -132.766 flat angles C4'-P-C4' energy: -155.509 flat angles P-C4'-P energy: -116.574 tors. eta vs tors. theta energy: -196.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1980.990668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.990668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.990668 (E_RNA) where: Base-Base interactions energy: -1325.353 where: short stacking energy: -559.432 Base-Backbone interact. energy: 1.275 local terms energy: -656.913438 where: bonds (distance) C4'-P energy: -149.013 bonds (distance) P-C4' energy: -149.500 flat angles C4'-P-C4' energy: -138.410 flat angles P-C4'-P energy: -86.322 tors. eta vs tors. theta energy: -133.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1609.103589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.103589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.103589 (E_RNA) where: Base-Base interactions energy: -986.014 where: short stacking energy: -450.049 Base-Backbone interact. energy: 3.476 local terms energy: -626.565199 where: bonds (distance) C4'-P energy: -133.183 bonds (distance) P-C4' energy: -157.237 flat angles C4'-P-C4' energy: -156.177 flat angles P-C4'-P energy: -105.881 tors. eta vs tors. theta energy: -74.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1369.557867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.557867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.557867 (E_RNA) where: Base-Base interactions energy: -790.038 where: short stacking energy: -383.931 Base-Backbone interact. energy: -2.660 local terms energy: -576.859212 where: bonds (distance) C4'-P energy: -125.705 bonds (distance) P-C4' energy: -151.496 flat angles C4'-P-C4' energy: -131.191 flat angles P-C4'-P energy: -100.910 tors. eta vs tors. theta energy: -67.556 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: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1147.050356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.050356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.050356 (E_RNA) where: Base-Base interactions energy: -658.044 where: short stacking energy: -323.259 Base-Backbone interact. energy: 4.640 local terms energy: -493.645651 where: bonds (distance) C4'-P energy: -130.511 bonds (distance) P-C4' energy: -134.514 flat angles C4'-P-C4' energy: -130.400 flat angles P-C4'-P energy: -70.882 tors. eta vs tors. theta energy: -27.340 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: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -837.442545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.442545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.442545 (E_RNA) where: Base-Base interactions energy: -390.881 where: short stacking energy: -210.368 Base-Backbone interact. energy: 8.752 local terms energy: -455.313143 where: bonds (distance) C4'-P energy: -141.540 bonds (distance) P-C4' energy: -149.337 flat angles C4'-P-C4' energy: -119.036 flat angles P-C4'-P energy: -59.160 tors. eta vs tors. theta energy: 13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2906.695632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.695632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.695632 (E_RNA) where: Base-Base interactions energy: -1973.632 where: short stacking energy: -805.156 Base-Backbone interact. energy: -2.575 local terms energy: -930.488260 where: bonds (distance) C4'-P energy: -176.857 bonds (distance) P-C4' energy: -166.076 flat angles C4'-P-C4' energy: -200.505 flat angles P-C4'-P energy: -130.288 tors. eta vs tors. theta energy: -256.763 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: 2, replica: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2861.555220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.555220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.555220 (E_RNA) where: Base-Base interactions energy: -1974.142 where: short stacking energy: -839.550 Base-Backbone interact. energy: -2.361 local terms energy: -885.052597 where: bonds (distance) C4'-P energy: -149.928 bonds (distance) P-C4' energy: -169.115 flat angles C4'-P-C4' energy: -186.958 flat angles P-C4'-P energy: -122.738 tors. eta vs tors. theta energy: -256.314 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: 3, replica: 8 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2689.138561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.138561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.138561 (E_RNA) where: Base-Base interactions energy: -1834.206 where: short stacking energy: -800.992 Base-Backbone interact. energy: -3.378 local terms energy: -851.554022 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -146.876 flat angles C4'-P-C4' energy: -186.956 flat angles P-C4'-P energy: -117.220 tors. eta vs tors. theta energy: -253.664 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: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2477.863830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.863830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.863830 (E_RNA) where: Base-Base interactions energy: -1646.234 where: short stacking energy: -729.641 Base-Backbone interact. energy: -2.890 local terms energy: -828.739290 where: bonds (distance) C4'-P energy: -151.539 bonds (distance) P-C4' energy: -163.067 flat angles C4'-P-C4' energy: -177.469 flat angles P-C4'-P energy: -124.030 tors. eta vs tors. theta energy: -212.633 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: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2337.360533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.360533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.360533 (E_RNA) where: Base-Base interactions energy: -1581.418 where: short stacking energy: -684.453 Base-Backbone interact. energy: -4.048 local terms energy: -751.894593 where: bonds (distance) C4'-P energy: -129.525 bonds (distance) P-C4' energy: -150.628 flat angles C4'-P-C4' energy: -160.277 flat angles P-C4'-P energy: -120.080 tors. eta vs tors. theta energy: -191.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1968.408329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.408329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.408329 (E_RNA) where: Base-Base interactions energy: -1291.521 where: short stacking energy: -603.241 Base-Backbone interact. energy: -2.935 local terms energy: -673.952443 where: bonds (distance) C4'-P energy: -148.099 bonds (distance) P-C4' energy: -129.192 flat angles C4'-P-C4' energy: -153.232 flat angles P-C4'-P energy: -97.747 tors. eta vs tors. theta energy: -145.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1654.851500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.851500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.851500 (E_RNA) where: Base-Base interactions energy: -1085.289 where: short stacking energy: -501.745 Base-Backbone interact. energy: 4.658 local terms energy: -574.220552 where: bonds (distance) C4'-P energy: -112.023 bonds (distance) P-C4' energy: -149.502 flat angles C4'-P-C4' energy: -135.869 flat angles P-C4'-P energy: -75.145 tors. eta vs tors. theta energy: -101.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1436.331007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.331007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.331007 (E_RNA) where: Base-Base interactions energy: -846.304 where: short stacking energy: -407.603 Base-Backbone interact. energy: -4.483 local terms energy: -585.543901 where: bonds (distance) C4'-P energy: -143.058 bonds (distance) P-C4' energy: -141.777 flat angles C4'-P-C4' energy: -127.513 flat angles P-C4'-P energy: -88.836 tors. eta vs tors. theta energy: -84.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1117.305575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.305575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.305575 (E_RNA) where: Base-Base interactions energy: -602.117 where: short stacking energy: -327.234 Base-Backbone interact. energy: -2.776 local terms energy: -512.412644 where: bonds (distance) C4'-P energy: -134.738 bonds (distance) P-C4' energy: -136.953 flat angles C4'-P-C4' energy: -130.109 flat angles P-C4'-P energy: -83.934 tors. eta vs tors. theta energy: -26.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -820.426490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.426490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.426490 (E_RNA) where: Base-Base interactions energy: -383.797 where: short stacking energy: -229.273 Base-Backbone interact. energy: -2.494 local terms energy: -434.135651 where: bonds (distance) C4'-P energy: -150.279 bonds (distance) P-C4' energy: -119.056 flat angles C4'-P-C4' energy: -121.675 flat angles P-C4'-P energy: -43.271 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: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2924.750614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.750614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.750614 (E_RNA) where: Base-Base interactions energy: -2005.492 where: short stacking energy: -844.565 Base-Backbone interact. energy: -7.094 local terms energy: -912.164636 where: bonds (distance) C4'-P energy: -149.748 bonds (distance) P-C4' energy: -183.108 flat angles C4'-P-C4' energy: -193.551 flat angles P-C4'-P energy: -132.350 tors. eta vs tors. theta energy: -253.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2889.737285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.737285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.737285 (E_RNA) where: Base-Base interactions energy: -1985.473 where: short stacking energy: -839.412 Base-Backbone interact. energy: 0.646 local terms energy: -904.910651 where: bonds (distance) C4'-P energy: -159.683 bonds (distance) P-C4' energy: -167.869 flat angles C4'-P-C4' energy: -189.131 flat angles P-C4'-P energy: -126.066 tors. eta vs tors. theta energy: -262.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2707.008667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.008667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.008667 (E_RNA) where: Base-Base interactions energy: -1866.810 where: short stacking energy: -801.617 Base-Backbone interact. energy: 2.780 local terms energy: -842.978349 where: bonds (distance) C4'-P energy: -150.099 bonds (distance) P-C4' energy: -168.352 flat angles C4'-P-C4' energy: -169.508 flat angles P-C4'-P energy: -107.010 tors. eta vs tors. theta energy: -248.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2541.530991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.530991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.530991 (E_RNA) where: Base-Base interactions energy: -1715.336 where: short stacking energy: -718.431 Base-Backbone interact. energy: -1.569 local terms energy: -824.626270 where: bonds (distance) C4'-P energy: -156.228 bonds (distance) P-C4' energy: -168.072 flat angles C4'-P-C4' energy: -175.248 flat angles P-C4'-P energy: -126.693 tors. eta vs tors. theta energy: -198.384 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: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2331.291025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.291025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.291025 (E_RNA) where: Base-Base interactions energy: -1570.080 where: short stacking energy: -682.367 Base-Backbone interact. energy: -4.036 local terms energy: -757.175377 where: bonds (distance) C4'-P energy: -126.665 bonds (distance) P-C4' energy: -159.346 flat angles C4'-P-C4' energy: -172.034 flat angles P-C4'-P energy: -107.797 tors. eta vs tors. theta energy: -191.334 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: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1961.595780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.595780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.595780 (E_RNA) where: Base-Base interactions energy: -1274.511 where: short stacking energy: -556.505 Base-Backbone interact. energy: -3.713 local terms energy: -683.371877 where: bonds (distance) C4'-P energy: -139.861 bonds (distance) P-C4' energy: -147.571 flat angles C4'-P-C4' energy: -166.981 flat angles P-C4'-P energy: -94.289 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: 7, replica: 7 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1705.130783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.130783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.130783 (E_RNA) where: Base-Base interactions energy: -1108.074 where: short stacking energy: -487.023 Base-Backbone interact. energy: -1.648 local terms energy: -595.408315 where: bonds (distance) C4'-P energy: -125.235 bonds (distance) P-C4' energy: -129.233 flat angles C4'-P-C4' energy: -136.744 flat angles P-C4'-P energy: -102.232 tors. eta vs tors. theta energy: -101.964 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: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1420.068910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.068910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.068910 (E_RNA) where: Base-Base interactions energy: -839.170 where: short stacking energy: -378.168 Base-Backbone interact. energy: -1.470 local terms energy: -579.428727 where: bonds (distance) C4'-P energy: -141.336 bonds (distance) P-C4' energy: -157.319 flat angles C4'-P-C4' energy: -141.539 flat angles P-C4'-P energy: -69.999 tors. eta vs tors. theta energy: -69.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1096.089143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.089143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.089143 (E_RNA) where: Base-Base interactions energy: -624.725 where: short stacking energy: -282.162 Base-Backbone interact. energy: -2.551 local terms energy: -468.813025 where: bonds (distance) C4'-P energy: -130.808 bonds (distance) P-C4' energy: -144.907 flat angles C4'-P-C4' energy: -102.543 flat angles P-C4'-P energy: -83.468 tors. eta vs tors. theta energy: -7.087 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: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -826.149088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.149088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.149088 (E_RNA) where: Base-Base interactions energy: -368.982 where: short stacking energy: -217.192 Base-Backbone interact. energy: 0.203 local terms energy: -457.370007 where: bonds (distance) C4'-P energy: -121.476 bonds (distance) P-C4' energy: -135.674 flat angles C4'-P-C4' energy: -111.407 flat angles P-C4'-P energy: -88.645 tors. eta vs tors. theta energy: -0.169 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: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2940.376937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.376937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.376937 (E_RNA) where: Base-Base interactions energy: -1991.021 where: short stacking energy: -845.833 Base-Backbone interact. energy: -5.702 local terms energy: -943.653318 where: bonds (distance) C4'-P energy: -165.942 bonds (distance) P-C4' energy: -181.823 flat angles C4'-P-C4' energy: -201.525 flat angles P-C4'-P energy: -134.325 tors. eta vs tors. theta energy: -260.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2833.617687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.617687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.617687 (E_RNA) where: Base-Base interactions energy: -1969.143 where: short stacking energy: -822.901 Base-Backbone interact. energy: -2.111 local terms energy: -862.363217 where: bonds (distance) C4'-P energy: -152.017 bonds (distance) P-C4' energy: -156.387 flat angles C4'-P-C4' energy: -179.749 flat angles P-C4'-P energy: -133.669 tors. eta vs tors. theta energy: -240.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2698.383137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.383137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.383137 (E_RNA) where: Base-Base interactions energy: -1876.359 where: short stacking energy: -812.561 Base-Backbone interact. energy: -1.480 local terms energy: -820.544413 where: bonds (distance) C4'-P energy: -134.537 bonds (distance) P-C4' energy: -149.746 flat angles C4'-P-C4' energy: -170.248 flat angles P-C4'-P energy: -119.746 tors. eta vs tors. theta energy: -246.267 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: 6 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2543.751227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.751227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.751227 (E_RNA) where: Base-Base interactions energy: -1741.030 where: short stacking energy: -752.132 Base-Backbone interact. energy: 0.075 local terms energy: -802.796153 where: bonds (distance) C4'-P energy: -156.818 bonds (distance) P-C4' energy: -148.105 flat angles C4'-P-C4' energy: -177.660 flat angles P-C4'-P energy: -97.993 tors. eta vs tors. theta energy: -222.219 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: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2206.552523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.552523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.552523 (E_RNA) where: Base-Base interactions energy: -1463.859 where: short stacking energy: -604.507 Base-Backbone interact. energy: -2.670 local terms energy: -740.023901 where: bonds (distance) C4'-P energy: -151.892 bonds (distance) P-C4' energy: -153.772 flat angles C4'-P-C4' energy: -172.664 flat angles P-C4'-P energy: -94.564 tors. eta vs tors. theta energy: -167.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1918.964594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.964594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.964594 (E_RNA) where: Base-Base interactions energy: -1238.641 where: short stacking energy: -562.328 Base-Backbone interact. energy: 1.023 local terms energy: -681.346486 where: bonds (distance) C4'-P energy: -142.994 bonds (distance) P-C4' energy: -151.370 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -104.328 tors. eta vs tors. theta energy: -132.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1729.964888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.964888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.964888 (E_RNA) where: Base-Base interactions energy: -1073.967 where: short stacking energy: -471.316 Base-Backbone interact. energy: -1.085 local terms energy: -654.912609 where: bonds (distance) C4'-P energy: -143.655 bonds (distance) P-C4' energy: -156.388 flat angles C4'-P-C4' energy: -146.194 flat angles P-C4'-P energy: -105.130 tors. eta vs tors. theta energy: -103.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1382.958169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.958169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.958169 (E_RNA) where: Base-Base interactions energy: -840.199 where: short stacking energy: -384.182 Base-Backbone interact. energy: 3.716 local terms energy: -546.475482 where: bonds (distance) C4'-P energy: -128.611 bonds (distance) P-C4' energy: -147.372 flat angles C4'-P-C4' energy: -128.834 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: -71.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1138.388494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.388494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.388494 (E_RNA) where: Base-Base interactions energy: -614.948 where: short stacking energy: -308.347 Base-Backbone interact. energy: 2.967 local terms energy: -526.407706 where: bonds (distance) C4'-P energy: -144.751 bonds (distance) P-C4' energy: -136.411 flat angles C4'-P-C4' energy: -137.249 flat angles P-C4'-P energy: -79.351 tors. eta vs tors. theta energy: -28.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -853.882828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.882828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.882828 (E_RNA) where: Base-Base interactions energy: -420.320 where: short stacking energy: -254.305 Base-Backbone interact. energy: 5.530 local terms energy: -439.092591 where: bonds (distance) C4'-P energy: -102.797 bonds (distance) P-C4' energy: -140.050 flat angles C4'-P-C4' energy: -128.608 flat angles P-C4'-P energy: -72.398 tors. eta vs tors. theta energy: 4.761 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: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2920.530957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.530957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.530957 (E_RNA) where: Base-Base interactions energy: -1990.655 where: short stacking energy: -875.682 Base-Backbone interact. energy: -1.071 local terms energy: -928.804895 where: bonds (distance) C4'-P energy: -154.174 bonds (distance) P-C4' energy: -175.281 flat angles C4'-P-C4' energy: -198.806 flat angles P-C4'-P energy: -135.844 tors. eta vs tors. theta energy: -264.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2884.311145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.311145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.311145 (E_RNA) where: Base-Base interactions energy: -2008.060 where: short stacking energy: -840.313 Base-Backbone interact. energy: -4.398 local terms energy: -871.853405 where: bonds (distance) C4'-P energy: -157.139 bonds (distance) P-C4' energy: -160.509 flat angles C4'-P-C4' energy: -174.909 flat angles P-C4'-P energy: -117.448 tors. eta vs tors. theta energy: -261.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2669.328809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.328809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.328809 (E_RNA) where: Base-Base interactions energy: -1825.081 where: short stacking energy: -769.539 Base-Backbone interact. energy: -4.996 local terms energy: -839.251663 where: bonds (distance) C4'-P energy: -161.402 bonds (distance) P-C4' energy: -133.660 flat angles C4'-P-C4' energy: -178.177 flat angles P-C4'-P energy: -124.263 tors. eta vs tors. theta energy: -241.749 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: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2551.773155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.773155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.773155 (E_RNA) where: Base-Base interactions energy: -1774.903 where: short stacking energy: -737.201 Base-Backbone interact. energy: -1.609 local terms energy: -775.260520 where: bonds (distance) C4'-P energy: -138.966 bonds (distance) P-C4' energy: -146.773 flat angles C4'-P-C4' energy: -154.055 flat angles P-C4'-P energy: -113.681 tors. eta vs tors. theta energy: -221.786 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: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2373.179672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.179672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.179672 (E_RNA) where: Base-Base interactions energy: -1587.572 where: short stacking energy: -681.196 Base-Backbone interact. energy: -5.013 local terms energy: -780.594916 where: bonds (distance) C4'-P energy: -154.423 bonds (distance) P-C4' energy: -156.371 flat angles C4'-P-C4' energy: -163.350 flat angles P-C4'-P energy: -103.884 tors. eta vs tors. theta energy: -202.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1941.576830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.576830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.576830 (E_RNA) where: Base-Base interactions energy: -1270.750 where: short stacking energy: -555.175 Base-Backbone interact. energy: -3.184 local terms energy: -667.642779 where: bonds (distance) C4'-P energy: -136.847 bonds (distance) P-C4' energy: -163.310 flat angles C4'-P-C4' energy: -157.894 flat angles P-C4'-P energy: -91.814 tors. eta vs tors. theta energy: -117.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1738.149316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.149316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.149316 (E_RNA) where: Base-Base interactions energy: -1095.221 where: short stacking energy: -493.218 Base-Backbone interact. energy: 1.567 local terms energy: -644.494728 where: bonds (distance) C4'-P energy: -147.371 bonds (distance) P-C4' energy: -129.248 flat angles C4'-P-C4' energy: -153.466 flat angles P-C4'-P energy: -103.049 tors. eta vs tors. theta energy: -111.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1394.526000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.526000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.526000 (E_RNA) where: Base-Base interactions energy: -781.671 where: short stacking energy: -395.970 Base-Backbone interact. energy: 1.732 local terms energy: -614.586438 where: bonds (distance) C4'-P energy: -142.651 bonds (distance) P-C4' energy: -161.714 flat angles C4'-P-C4' energy: -157.423 flat angles P-C4'-P energy: -85.635 tors. eta vs tors. theta energy: -67.163 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: 286 Temperature: 1.300000 Total energy: -1104.397487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.397487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.397487 (E_RNA) where: Base-Base interactions energy: -638.950 where: short stacking energy: -329.139 Base-Backbone interact. energy: 2.441 local terms energy: -467.889197 where: bonds (distance) C4'-P energy: -130.135 bonds (distance) P-C4' energy: -132.656 flat angles C4'-P-C4' energy: -118.938 flat angles P-C4'-P energy: -54.015 tors. eta vs tors. theta energy: -32.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -867.794951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.794951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.794951 (E_RNA) where: Base-Base interactions energy: -458.113 where: short stacking energy: -263.849 Base-Backbone interact. energy: 6.582 local terms energy: -416.264249 where: bonds (distance) C4'-P energy: -112.279 bonds (distance) P-C4' energy: -105.754 flat angles C4'-P-C4' energy: -108.666 flat angles P-C4'-P energy: -83.645 tors. eta vs tors. theta energy: -5.920 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: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2941.566113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.566113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.566113 (E_RNA) where: Base-Base interactions energy: -2027.048 where: short stacking energy: -840.690 Base-Backbone interact. energy: -2.285 local terms energy: -912.233756 where: bonds (distance) C4'-P energy: -167.314 bonds (distance) P-C4' energy: -158.469 flat angles C4'-P-C4' energy: -182.341 flat angles P-C4'-P energy: -143.143 tors. eta vs tors. theta energy: -260.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2891.970567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.970567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.970567 (E_RNA) where: Base-Base interactions energy: -2013.114 where: short stacking energy: -831.352 Base-Backbone interact. energy: -3.112 local terms energy: -875.745165 where: bonds (distance) C4'-P energy: -163.542 bonds (distance) P-C4' energy: -149.560 flat angles C4'-P-C4' energy: -203.372 flat angles P-C4'-P energy: -105.679 tors. eta vs tors. theta energy: -253.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2682.300089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.300089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.300089 (E_RNA) where: Base-Base interactions energy: -1832.163 where: short stacking energy: -751.179 Base-Backbone interact. energy: -6.075 local terms energy: -844.062584 where: bonds (distance) C4'-P energy: -148.321 bonds (distance) P-C4' energy: -172.661 flat angles C4'-P-C4' energy: -181.384 flat angles P-C4'-P energy: -114.452 tors. eta vs tors. theta energy: -227.245 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: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2550.657799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.657799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.657799 (E_RNA) where: Base-Base interactions energy: -1763.783 where: short stacking energy: -729.916 Base-Backbone interact. energy: -3.993 local terms energy: -782.882017 where: bonds (distance) C4'-P energy: -134.788 bonds (distance) P-C4' energy: -160.059 flat angles C4'-P-C4' energy: -165.207 flat angles P-C4'-P energy: -100.663 tors. eta vs tors. theta energy: -222.165 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: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2333.166201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.166201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.166201 (E_RNA) where: Base-Base interactions energy: -1602.514 where: short stacking energy: -699.289 Base-Backbone interact. energy: -0.064 local terms energy: -730.588066 where: bonds (distance) C4'-P energy: -144.616 bonds (distance) P-C4' energy: -138.622 flat angles C4'-P-C4' energy: -152.084 flat angles P-C4'-P energy: -96.217 tors. eta vs tors. theta energy: -199.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1952.946089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.946089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.946089 (E_RNA) where: Base-Base interactions energy: -1259.112 where: short stacking energy: -559.576 Base-Backbone interact. energy: -3.355 local terms energy: -690.478868 where: bonds (distance) C4'-P energy: -161.423 bonds (distance) P-C4' energy: -155.408 flat angles C4'-P-C4' energy: -144.051 flat angles P-C4'-P energy: -93.222 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: 7, replica: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1684.366186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.366186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.366186 (E_RNA) where: Base-Base interactions energy: -1036.876 where: short stacking energy: -445.719 Base-Backbone interact. energy: -1.482 local terms energy: -646.008253 where: bonds (distance) C4'-P energy: -142.100 bonds (distance) P-C4' energy: -157.089 flat angles C4'-P-C4' energy: -155.949 flat angles P-C4'-P energy: -106.038 tors. eta vs tors. theta energy: -84.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1325.252102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.252102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.252102 (E_RNA) where: Base-Base interactions energy: -764.289 where: short stacking energy: -345.230 Base-Backbone interact. energy: -2.876 local terms energy: -558.087229 where: bonds (distance) C4'-P energy: -134.906 bonds (distance) P-C4' energy: -167.919 flat angles C4'-P-C4' energy: -130.770 flat angles P-C4'-P energy: -78.106 tors. eta vs tors. theta energy: -46.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1220.499422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.499422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.499422 (E_RNA) where: Base-Base interactions energy: -700.477 where: short stacking energy: -333.938 Base-Backbone interact. energy: -6.107 local terms energy: -513.916186 where: bonds (distance) C4'-P energy: -115.647 bonds (distance) P-C4' energy: -146.144 flat angles C4'-P-C4' energy: -134.373 flat angles P-C4'-P energy: -87.562 tors. eta vs tors. theta energy: -30.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -892.366583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.366583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.366583 (E_RNA) where: Base-Base interactions energy: -427.175 where: short stacking energy: -246.039 Base-Backbone interact. energy: -2.523 local terms energy: -462.668596 where: bonds (distance) C4'-P energy: -118.459 bonds (distance) P-C4' energy: -151.653 flat angles C4'-P-C4' energy: -124.506 flat angles P-C4'-P energy: -72.715 tors. eta vs tors. theta energy: 4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2959.252209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.252209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.252209 (E_RNA) where: Base-Base interactions energy: -2040.443 where: short stacking energy: -858.224 Base-Backbone interact. energy: -3.802 local terms energy: -915.007454 where: bonds (distance) C4'-P energy: -170.981 bonds (distance) P-C4' energy: -155.379 flat angles C4'-P-C4' energy: -194.204 flat angles P-C4'-P energy: -136.516 tors. eta vs tors. theta energy: -257.928 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: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2886.902772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.902772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.902772 (E_RNA) where: Base-Base interactions energy: -1983.130 where: short stacking energy: -846.234 Base-Backbone interact. energy: -4.639 local terms energy: -899.134093 where: bonds (distance) C4'-P energy: -161.552 bonds (distance) P-C4' energy: -175.746 flat angles C4'-P-C4' energy: -177.578 flat angles P-C4'-P energy: -125.467 tors. eta vs tors. theta energy: -258.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2675.223034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.223034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.223034 (E_RNA) where: Base-Base interactions energy: -1853.701 where: short stacking energy: -764.694 Base-Backbone interact. energy: -7.554 local terms energy: -813.968011 where: bonds (distance) C4'-P energy: -147.712 bonds (distance) P-C4' energy: -156.065 flat angles C4'-P-C4' energy: -175.341 flat angles P-C4'-P energy: -109.943 tors. eta vs tors. theta energy: -224.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2531.737365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.737365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.737365 (E_RNA) where: Base-Base interactions energy: -1776.638 where: short stacking energy: -751.312 Base-Backbone interact. energy: -2.833 local terms energy: -752.266297 where: bonds (distance) C4'-P energy: -135.867 bonds (distance) P-C4' energy: -157.274 flat angles C4'-P-C4' energy: -177.741 flat angles P-C4'-P energy: -85.350 tors. eta vs tors. theta energy: -196.033 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: 5, replica: 9 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2355.143961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.143961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.143961 (E_RNA) where: Base-Base interactions energy: -1594.957 where: short stacking energy: -726.018 Base-Backbone interact. energy: -5.825 local terms energy: -754.361685 where: bonds (distance) C4'-P energy: -148.607 bonds (distance) P-C4' energy: -131.767 flat angles C4'-P-C4' energy: -160.498 flat angles P-C4'-P energy: -111.566 tors. eta vs tors. theta energy: -201.924 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: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2029.282575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.282575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.282575 (E_RNA) where: Base-Base interactions energy: -1315.984 where: short stacking energy: -556.568 Base-Backbone interact. energy: -3.607 local terms energy: -709.691655 where: bonds (distance) C4'-P energy: -158.237 bonds (distance) P-C4' energy: -155.470 flat angles C4'-P-C4' energy: -155.608 flat angles P-C4'-P energy: -95.042 tors. eta vs tors. theta energy: -145.334 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: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1754.823120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.823120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.823120 (E_RNA) where: Base-Base interactions energy: -1076.995 where: short stacking energy: -466.479 Base-Backbone interact. energy: -3.868 local terms energy: -673.960167 where: bonds (distance) C4'-P energy: -149.312 bonds (distance) P-C4' energy: -161.854 flat angles C4'-P-C4' energy: -143.252 flat angles P-C4'-P energy: -101.799 tors. eta vs tors. theta energy: -117.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1390.731745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.731745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.731745 (E_RNA) where: Base-Base interactions energy: -838.618 where: short stacking energy: -397.566 Base-Backbone interact. energy: 5.273 local terms energy: -557.386483 where: bonds (distance) C4'-P energy: -119.718 bonds (distance) P-C4' energy: -154.428 flat angles C4'-P-C4' energy: -131.345 flat angles P-C4'-P energy: -82.547 tors. eta vs tors. theta energy: -69.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1213.667865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.667865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.667865 (E_RNA) where: Base-Base interactions energy: -696.898 where: short stacking energy: -351.620 Base-Backbone interact. energy: -1.372 local terms energy: -515.397877 where: bonds (distance) C4'-P energy: -146.909 bonds (distance) P-C4' energy: -139.538 flat angles C4'-P-C4' energy: -128.139 flat angles P-C4'-P energy: -55.356 tors. eta vs tors. theta energy: -45.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -869.709616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.709616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.709616 (E_RNA) where: Base-Base interactions energy: -432.752 where: short stacking energy: -267.159 Base-Backbone interact. energy: 3.218 local terms energy: -440.175686 where: bonds (distance) C4'-P energy: -130.725 bonds (distance) P-C4' energy: -133.778 flat angles C4'-P-C4' energy: -106.307 flat angles P-C4'-P energy: -74.809 tors. eta vs tors. theta energy: 5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2952.395775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.395775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.395775 (E_RNA) where: Base-Base interactions energy: -2018.830 where: short stacking energy: -835.572 Base-Backbone interact. energy: -4.668 local terms energy: -928.898337 where: bonds (distance) C4'-P energy: -160.108 bonds (distance) P-C4' energy: -177.339 flat angles C4'-P-C4' energy: -199.112 flat angles P-C4'-P energy: -125.434 tors. eta vs tors. theta energy: -266.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2904.564356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.564356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.564356 (E_RNA) where: Base-Base interactions energy: -1996.450 where: short stacking energy: -837.119 Base-Backbone interact. energy: -7.024 local terms energy: -901.090426 where: bonds (distance) C4'-P energy: -165.324 bonds (distance) P-C4' energy: -156.557 flat angles C4'-P-C4' energy: -190.470 flat angles P-C4'-P energy: -134.778 tors. eta vs tors. theta energy: -253.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2670.952897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.952897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.952897 (E_RNA) where: Base-Base interactions energy: -1859.066 where: short stacking energy: -780.287 Base-Backbone interact. energy: 1.800 local terms energy: -813.686465 where: bonds (distance) C4'-P energy: -145.704 bonds (distance) P-C4' energy: -150.415 flat angles C4'-P-C4' energy: -181.603 flat angles P-C4'-P energy: -105.622 tors. eta vs tors. theta energy: -230.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2509.340799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.340799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.340799 (E_RNA) where: Base-Base interactions energy: -1710.575 where: short stacking energy: -723.525 Base-Backbone interact. energy: -3.804 local terms energy: -794.961332 where: bonds (distance) C4'-P energy: -155.024 bonds (distance) P-C4' energy: -128.243 flat angles C4'-P-C4' energy: -182.574 flat angles P-C4'-P energy: -114.218 tors. eta vs tors. theta energy: -214.902 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: 9 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2341.691046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.691046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.691046 (E_RNA) where: Base-Base interactions energy: -1594.911 where: short stacking energy: -703.945 Base-Backbone interact. energy: 0.194 local terms energy: -746.974722 where: bonds (distance) C4'-P energy: -155.190 bonds (distance) P-C4' energy: -135.944 flat angles C4'-P-C4' energy: -145.184 flat angles P-C4'-P energy: -106.138 tors. eta vs tors. theta energy: -204.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2038.109788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.109788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.109788 (E_RNA) where: Base-Base interactions energy: -1361.751 where: short stacking energy: -581.078 Base-Backbone interact. energy: -1.096 local terms energy: -675.262195 where: bonds (distance) C4'-P energy: -143.194 bonds (distance) P-C4' energy: -147.720 flat angles C4'-P-C4' energy: -149.920 flat angles P-C4'-P energy: -93.699 tors. eta vs tors. theta energy: -140.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1733.114845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.114845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.114845 (E_RNA) where: Base-Base interactions energy: -1123.956 where: short stacking energy: -525.335 Base-Backbone interact. energy: -3.343 local terms energy: -605.816370 where: bonds (distance) C4'-P energy: -125.928 bonds (distance) P-C4' energy: -140.839 flat angles C4'-P-C4' energy: -130.489 flat angles P-C4'-P energy: -94.268 tors. eta vs tors. theta energy: -114.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1324.587304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.587304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.587304 (E_RNA) where: Base-Base interactions energy: -797.003 where: short stacking energy: -374.825 Base-Backbone interact. energy: -1.942 local terms energy: -525.642834 where: bonds (distance) C4'-P energy: -124.814 bonds (distance) P-C4' energy: -141.791 flat angles C4'-P-C4' energy: -139.766 flat angles P-C4'-P energy: -75.303 tors. eta vs tors. theta energy: -43.968 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: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1208.183027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.183027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.183027 (E_RNA) where: Base-Base interactions energy: -704.471 where: short stacking energy: -321.988 Base-Backbone interact. energy: 3.006 local terms energy: -506.718228 where: bonds (distance) C4'-P energy: -148.053 bonds (distance) P-C4' energy: -121.943 flat angles C4'-P-C4' energy: -137.094 flat angles P-C4'-P energy: -85.037 tors. eta vs tors. theta energy: -14.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -814.847892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.847892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.847892 (E_RNA) where: Base-Base interactions energy: -385.490 where: short stacking energy: -210.869 Base-Backbone interact. energy: 3.524 local terms energy: -432.881957 where: bonds (distance) C4'-P energy: -127.317 bonds (distance) P-C4' energy: -141.965 flat angles C4'-P-C4' energy: -117.208 flat angles P-C4'-P energy: -79.784 tors. eta vs tors. theta energy: 33.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2970.821302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.821302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.821302 (E_RNA) where: Base-Base interactions energy: -2050.822 where: short stacking energy: -858.301 Base-Backbone interact. energy: -5.477 local terms energy: -914.522580 where: bonds (distance) C4'-P energy: -164.158 bonds (distance) P-C4' energy: -178.809 flat angles C4'-P-C4' energy: -185.593 flat angles P-C4'-P energy: -132.893 tors. eta vs tors. theta energy: -253.069 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: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2851.199654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.199654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.199654 (E_RNA) where: Base-Base interactions energy: -1948.729 where: short stacking energy: -832.483 Base-Backbone interact. energy: 2.058 local terms energy: -904.528752 where: bonds (distance) C4'-P energy: -156.193 bonds (distance) P-C4' energy: -176.996 flat angles C4'-P-C4' energy: -199.340 flat angles P-C4'-P energy: -117.446 tors. eta vs tors. theta energy: -254.554 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: 3, replica: 8 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2662.135445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.135445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.135445 (E_RNA) where: Base-Base interactions energy: -1811.755 where: short stacking energy: -793.954 Base-Backbone interact. energy: -4.870 local terms energy: -845.510131 where: bonds (distance) C4'-P energy: -157.067 bonds (distance) P-C4' energy: -144.494 flat angles C4'-P-C4' energy: -184.854 flat angles P-C4'-P energy: -123.522 tors. eta vs tors. theta energy: -235.573 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: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2564.109570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.109570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.109570 (E_RNA) where: Base-Base interactions energy: -1765.984 where: short stacking energy: -729.493 Base-Backbone interact. energy: -5.401 local terms energy: -792.724234 where: bonds (distance) C4'-P energy: -154.232 bonds (distance) P-C4' energy: -162.655 flat angles C4'-P-C4' energy: -162.803 flat angles P-C4'-P energy: -94.573 tors. eta vs tors. theta energy: -218.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2289.835524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.835524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.835524 (E_RNA) where: Base-Base interactions energy: -1502.409 where: short stacking energy: -649.196 Base-Backbone interact. energy: -6.908 local terms energy: -780.519177 where: bonds (distance) C4'-P energy: -145.297 bonds (distance) P-C4' energy: -162.689 flat angles C4'-P-C4' energy: -179.925 flat angles P-C4'-P energy: -106.617 tors. eta vs tors. theta energy: -185.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2059.312963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.312963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.312963 (E_RNA) where: Base-Base interactions energy: -1384.230 where: short stacking energy: -577.278 Base-Backbone interact. energy: -4.011 local terms energy: -671.072051 where: bonds (distance) C4'-P energy: -138.661 bonds (distance) P-C4' energy: -133.293 flat angles C4'-P-C4' energy: -168.781 flat angles P-C4'-P energy: -108.702 tors. eta vs tors. theta energy: -121.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1646.828345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.828345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.828345 (E_RNA) where: Base-Base interactions energy: -1021.567 where: short stacking energy: -443.763 Base-Backbone interact. energy: -0.854 local terms energy: -624.406896 where: bonds (distance) C4'-P energy: -143.343 bonds (distance) P-C4' energy: -151.246 flat angles C4'-P-C4' energy: -149.330 flat angles P-C4'-P energy: -88.295 tors. eta vs tors. theta energy: -92.194 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: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1359.762633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.762633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.762633 (E_RNA) where: Base-Base interactions energy: -804.777 where: short stacking energy: -365.140 Base-Backbone interact. energy: -1.269 local terms energy: -553.716640 where: bonds (distance) C4'-P energy: -129.307 bonds (distance) P-C4' energy: -152.966 flat angles C4'-P-C4' energy: -130.460 flat angles P-C4'-P energy: -83.006 tors. eta vs tors. theta energy: -57.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1276.114729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.114729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.114729 (E_RNA) where: Base-Base interactions energy: -736.251 where: short stacking energy: -333.088 Base-Backbone interact. energy: 14.869 local terms energy: -554.732519 where: bonds (distance) C4'-P energy: -158.380 bonds (distance) P-C4' energy: -153.383 flat angles C4'-P-C4' energy: -124.282 flat angles P-C4'-P energy: -68.588 tors. eta vs tors. theta energy: -50.100 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: 10, replica: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -859.521054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.521054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.521054 (E_RNA) where: Base-Base interactions energy: -401.181 where: short stacking energy: -241.496 Base-Backbone interact. energy: -1.017 local terms energy: -457.323321 where: bonds (distance) C4'-P energy: -131.909 bonds (distance) P-C4' energy: -129.628 flat angles C4'-P-C4' energy: -124.226 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2959.248908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.248908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.248908 (E_RNA) where: Base-Base interactions energy: -2065.042 where: short stacking energy: -844.003 Base-Backbone interact. energy: -4.177 local terms energy: -890.029512 where: bonds (distance) C4'-P energy: -170.879 bonds (distance) P-C4' energy: -152.897 flat angles C4'-P-C4' energy: -184.639 flat angles P-C4'-P energy: -127.184 tors. eta vs tors. theta energy: -254.431 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: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2818.679967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.679967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.679967 (E_RNA) where: Base-Base interactions energy: -1936.622 where: short stacking energy: -834.639 Base-Backbone interact. energy: -4.497 local terms energy: -877.561406 where: bonds (distance) C4'-P energy: -143.939 bonds (distance) P-C4' energy: -158.538 flat angles C4'-P-C4' energy: -194.126 flat angles P-C4'-P energy: -136.004 tors. eta vs tors. theta energy: -244.955 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: 8 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2702.989164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.989164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.989164 (E_RNA) where: Base-Base interactions energy: -1863.598 where: short stacking energy: -807.853 Base-Backbone interact. energy: -6.210 local terms energy: -833.181521 where: bonds (distance) C4'-P energy: -177.197 bonds (distance) P-C4' energy: -141.124 flat angles C4'-P-C4' energy: -171.330 flat angles P-C4'-P energy: -108.130 tors. eta vs tors. theta energy: -235.400 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: 6 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2558.077844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.077844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.077844 (E_RNA) where: Base-Base interactions energy: -1767.347 where: short stacking energy: -750.133 Base-Backbone interact. energy: -4.053 local terms energy: -786.677589 where: bonds (distance) C4'-P energy: -129.783 bonds (distance) P-C4' energy: -158.204 flat angles C4'-P-C4' energy: -169.434 flat angles P-C4'-P energy: -122.786 tors. eta vs tors. theta energy: -206.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2258.764937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.764937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.764937 (E_RNA) where: Base-Base interactions energy: -1499.379 where: short stacking energy: -672.044 Base-Backbone interact. energy: -4.673 local terms energy: -754.712343 where: bonds (distance) C4'-P energy: -140.198 bonds (distance) P-C4' energy: -157.720 flat angles C4'-P-C4' energy: -158.420 flat angles P-C4'-P energy: -106.741 tors. eta vs tors. theta energy: -191.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2110.115218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.115218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.115218 (E_RNA) where: Base-Base interactions energy: -1390.754 where: short stacking energy: -584.878 Base-Backbone interact. energy: -1.051 local terms energy: -718.310194 where: bonds (distance) C4'-P energy: -143.800 bonds (distance) P-C4' energy: -153.449 flat angles C4'-P-C4' energy: -150.792 flat angles P-C4'-P energy: -101.614 tors. eta vs tors. theta energy: -168.656 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: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1633.793483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.793483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.793483 (E_RNA) where: Base-Base interactions energy: -1001.269 where: short stacking energy: -439.120 Base-Backbone interact. energy: -4.666 local terms energy: -627.858838 where: bonds (distance) C4'-P energy: -127.157 bonds (distance) P-C4' energy: -149.253 flat angles C4'-P-C4' energy: -155.122 flat angles P-C4'-P energy: -96.672 tors. eta vs tors. theta energy: -99.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1351.722526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.722526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.722526 (E_RNA) where: Base-Base interactions energy: -808.234 where: short stacking energy: -397.305 Base-Backbone interact. energy: -0.277 local terms energy: -543.211091 where: bonds (distance) C4'-P energy: -127.488 bonds (distance) P-C4' energy: -148.312 flat angles C4'-P-C4' energy: -133.451 flat angles P-C4'-P energy: -78.400 tors. eta vs tors. theta energy: -55.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1257.711085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.711085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.711085 (E_RNA) where: Base-Base interactions energy: -766.875 where: short stacking energy: -384.480 Base-Backbone interact. energy: 3.734 local terms energy: -494.570243 where: bonds (distance) C4'-P energy: -113.302 bonds (distance) P-C4' energy: -127.880 flat angles C4'-P-C4' energy: -117.028 flat angles P-C4'-P energy: -77.365 tors. eta vs tors. theta energy: -58.995 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: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -818.586978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.586978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.586978 (E_RNA) where: Base-Base interactions energy: -399.972 where: short stacking energy: -233.587 Base-Backbone interact. energy: 1.992 local terms energy: -420.607264 where: bonds (distance) C4'-P energy: -123.797 bonds (distance) P-C4' energy: -137.547 flat angles C4'-P-C4' energy: -99.252 flat angles P-C4'-P energy: -82.193 tors. eta vs tors. theta energy: 22.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2945.474346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.474346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.474346 (E_RNA) where: Base-Base interactions energy: -2022.528 where: short stacking energy: -834.830 Base-Backbone interact. energy: -4.331 local terms energy: -918.614873 where: bonds (distance) C4'-P energy: -157.293 bonds (distance) P-C4' energy: -168.133 flat angles C4'-P-C4' energy: -201.272 flat angles P-C4'-P energy: -131.200 tors. eta vs tors. theta energy: -260.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2856.196085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.196085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.196085 (E_RNA) where: Base-Base interactions energy: -1954.888 where: short stacking energy: -830.153 Base-Backbone interact. energy: -4.174 local terms energy: -897.134299 where: bonds (distance) C4'-P energy: -178.538 bonds (distance) P-C4' energy: -175.158 flat angles C4'-P-C4' energy: -184.562 flat angles P-C4'-P energy: -122.894 tors. eta vs tors. theta energy: -235.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2708.198971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.198971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.198971 (E_RNA) where: Base-Base interactions energy: -1863.225 where: short stacking energy: -801.233 Base-Backbone interact. energy: -4.377 local terms energy: -840.597423 where: bonds (distance) C4'-P energy: -139.106 bonds (distance) P-C4' energy: -162.519 flat angles C4'-P-C4' energy: -182.694 flat angles P-C4'-P energy: -109.833 tors. eta vs tors. theta energy: -246.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2575.923823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.923823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.923823 (E_RNA) where: Base-Base interactions energy: -1787.197 where: short stacking energy: -761.398 Base-Backbone interact. energy: -4.514 local terms energy: -784.212633 where: bonds (distance) C4'-P energy: -130.920 bonds (distance) P-C4' energy: -160.618 flat angles C4'-P-C4' energy: -176.072 flat angles P-C4'-P energy: -100.830 tors. eta vs tors. theta energy: -215.772 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: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2274.784612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.784612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.784612 (E_RNA) where: Base-Base interactions energy: -1555.516 where: short stacking energy: -714.792 Base-Backbone interact. energy: -2.446 local terms energy: -716.822464 where: bonds (distance) C4'-P energy: -126.763 bonds (distance) P-C4' energy: -128.104 flat angles C4'-P-C4' energy: -164.941 flat angles P-C4'-P energy: -90.373 tors. eta vs tors. theta energy: -206.642 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: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2160.521673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.521673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.521673 (E_RNA) where: Base-Base interactions energy: -1458.862 where: short stacking energy: -630.680 Base-Backbone interact. energy: -4.213 local terms energy: -697.446523 where: bonds (distance) C4'-P energy: -136.961 bonds (distance) P-C4' energy: -142.162 flat angles C4'-P-C4' energy: -158.894 flat angles P-C4'-P energy: -102.421 tors. eta vs tors. theta energy: -157.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1672.801906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.801906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.801906 (E_RNA) where: Base-Base interactions energy: -1047.700 where: short stacking energy: -455.419 Base-Backbone interact. energy: -2.459 local terms energy: -622.643013 where: bonds (distance) C4'-P energy: -134.599 bonds (distance) P-C4' energy: -135.456 flat angles C4'-P-C4' energy: -150.637 flat angles P-C4'-P energy: -96.797 tors. eta vs tors. theta energy: -105.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1330.178574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.178574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.178574 (E_RNA) where: Base-Base interactions energy: -781.668 where: short stacking energy: -366.819 Base-Backbone interact. energy: -3.621 local terms energy: -544.889635 where: bonds (distance) C4'-P energy: -144.538 bonds (distance) P-C4' energy: -142.334 flat angles C4'-P-C4' energy: -137.740 flat angles P-C4'-P energy: -64.410 tors. eta vs tors. theta energy: -55.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1144.672271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.672271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.672271 (E_RNA) where: Base-Base interactions energy: -655.122 where: short stacking energy: -318.997 Base-Backbone interact. energy: 1.984 local terms energy: -491.533847 where: bonds (distance) C4'-P energy: -122.334 bonds (distance) P-C4' energy: -142.136 flat angles C4'-P-C4' energy: -119.582 flat angles P-C4'-P energy: -76.864 tors. eta vs tors. theta energy: -30.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -828.574922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.574922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.574922 (E_RNA) where: Base-Base interactions energy: -371.873 where: short stacking energy: -200.753 Base-Backbone interact. energy: -1.970 local terms energy: -454.731124 where: bonds (distance) C4'-P energy: -143.415 bonds (distance) P-C4' energy: -154.561 flat angles C4'-P-C4' energy: -90.811 flat angles P-C4'-P energy: -71.590 tors. eta vs tors. theta energy: 5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2926.007191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.007191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.007191 (E_RNA) where: Base-Base interactions energy: -2015.490 where: short stacking energy: -857.192 Base-Backbone interact. energy: -4.290 local terms energy: -906.227240 where: bonds (distance) C4'-P energy: -167.317 bonds (distance) P-C4' energy: -162.451 flat angles C4'-P-C4' energy: -193.150 flat angles P-C4'-P energy: -118.835 tors. eta vs tors. theta energy: -264.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2851.362366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.362366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.362366 (E_RNA) where: Base-Base interactions energy: -1958.830 where: short stacking energy: -826.855 Base-Backbone interact. energy: -4.320 local terms energy: -888.212036 where: bonds (distance) C4'-P energy: -164.683 bonds (distance) P-C4' energy: -149.524 flat angles C4'-P-C4' energy: -196.352 flat angles P-C4'-P energy: -121.911 tors. eta vs tors. theta energy: -255.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2700.800320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.800320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.800320 (E_RNA) where: Base-Base interactions energy: -1830.414 where: short stacking energy: -794.327 Base-Backbone interact. energy: -1.869 local terms energy: -868.516868 where: bonds (distance) C4'-P energy: -164.490 bonds (distance) P-C4' energy: -136.644 flat angles C4'-P-C4' energy: -194.419 flat angles P-C4'-P energy: -126.070 tors. eta vs tors. theta energy: -246.894 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: 6 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2586.785495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.785495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.785495 (E_RNA) where: Base-Base interactions energy: -1767.420 where: short stacking energy: -741.948 Base-Backbone interact. energy: -2.907 local terms energy: -816.458766 where: bonds (distance) C4'-P energy: -161.911 bonds (distance) P-C4' energy: -149.021 flat angles C4'-P-C4' energy: -169.521 flat angles P-C4'-P energy: -112.785 tors. eta vs tors. theta energy: -223.221 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: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2242.996486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.996486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.996486 (E_RNA) where: Base-Base interactions energy: -1524.105 where: short stacking energy: -655.456 Base-Backbone interact. energy: 5.994 local terms energy: -724.885703 where: bonds (distance) C4'-P energy: -140.920 bonds (distance) P-C4' energy: -146.435 flat angles C4'-P-C4' energy: -160.267 flat angles P-C4'-P energy: -95.079 tors. eta vs tors. theta energy: -182.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2128.489264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.489264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.489264 (E_RNA) where: Base-Base interactions energy: -1405.609 where: short stacking energy: -606.212 Base-Backbone interact. energy: -0.750 local terms energy: -722.129700 where: bonds (distance) C4'-P energy: -140.955 bonds (distance) P-C4' energy: -153.445 flat angles C4'-P-C4' energy: -162.353 flat angles P-C4'-P energy: -90.981 tors. eta vs tors. theta energy: -174.395 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: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1651.821092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.821092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.821092 (E_RNA) where: Base-Base interactions energy: -1034.541 where: short stacking energy: -497.170 Base-Backbone interact. energy: 1.526 local terms energy: -618.805668 where: bonds (distance) C4'-P energy: -142.776 bonds (distance) P-C4' energy: -147.369 flat angles C4'-P-C4' energy: -143.268 flat angles P-C4'-P energy: -78.983 tors. eta vs tors. theta energy: -106.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1322.605998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.605998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.605998 (E_RNA) where: Base-Base interactions energy: -777.121 where: short stacking energy: -383.215 Base-Backbone interact. energy: -3.060 local terms energy: -542.424591 where: bonds (distance) C4'-P energy: -130.242 bonds (distance) P-C4' energy: -148.656 flat angles C4'-P-C4' energy: -147.695 flat angles P-C4'-P energy: -70.985 tors. eta vs tors. theta energy: -44.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1153.066392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.066392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.066392 (E_RNA) where: Base-Base interactions energy: -654.172 where: short stacking energy: -343.468 Base-Backbone interact. energy: -2.122 local terms energy: -496.772869 where: bonds (distance) C4'-P energy: -124.030 bonds (distance) P-C4' energy: -138.064 flat angles C4'-P-C4' energy: -105.780 flat angles P-C4'-P energy: -64.751 tors. eta vs tors. theta energy: -64.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -791.225864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.225864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.225864 (E_RNA) where: Base-Base interactions energy: -354.790 where: short stacking energy: -210.258 Base-Backbone interact. energy: -1.870 local terms energy: -434.565462 where: bonds (distance) C4'-P energy: -119.436 bonds (distance) P-C4' energy: -151.684 flat angles C4'-P-C4' energy: -108.471 flat angles P-C4'-P energy: -73.763 tors. eta vs tors. theta energy: 18.789 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: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2965.750321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.750321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.750321 (E_RNA) where: Base-Base interactions energy: -2029.405 where: short stacking energy: -857.457 Base-Backbone interact. energy: -4.972 local terms energy: -931.373596 where: bonds (distance) C4'-P energy: -176.275 bonds (distance) P-C4' energy: -192.259 flat angles C4'-P-C4' energy: -192.841 flat angles P-C4'-P energy: -114.437 tors. eta vs tors. theta energy: -255.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2852.550377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.550377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.550377 (E_RNA) where: Base-Base interactions energy: -1963.808 where: short stacking energy: -849.148 Base-Backbone interact. energy: -4.489 local terms energy: -884.254062 where: bonds (distance) C4'-P energy: -154.912 bonds (distance) P-C4' energy: -173.919 flat angles C4'-P-C4' energy: -194.296 flat angles P-C4'-P energy: -118.827 tors. eta vs tors. theta energy: -242.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2695.237707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.237707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.237707 (E_RNA) where: Base-Base interactions energy: -1847.402 where: short stacking energy: -791.125 Base-Backbone interact. energy: -0.915 local terms energy: -846.920771 where: bonds (distance) C4'-P energy: -155.029 bonds (distance) P-C4' energy: -155.588 flat angles C4'-P-C4' energy: -184.586 flat angles P-C4'-P energy: -114.244 tors. eta vs tors. theta energy: -237.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2546.718003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.718003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.718003 (E_RNA) where: Base-Base interactions energy: -1746.275 where: short stacking energy: -747.095 Base-Backbone interact. energy: -0.206 local terms energy: -800.237088 where: bonds (distance) C4'-P energy: -135.812 bonds (distance) P-C4' energy: -153.475 flat angles C4'-P-C4' energy: -171.068 flat angles P-C4'-P energy: -131.742 tors. eta vs tors. theta energy: -208.140 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: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2235.067597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.067597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.067597 (E_RNA) where: Base-Base interactions energy: -1478.091 where: short stacking energy: -652.145 Base-Backbone interact. energy: -0.462 local terms energy: -756.514944 where: bonds (distance) C4'-P energy: -139.716 bonds (distance) P-C4' energy: -155.405 flat angles C4'-P-C4' energy: -171.821 flat angles P-C4'-P energy: -110.276 tors. eta vs tors. theta energy: -179.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2196.237704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.237704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.237704 (E_RNA) where: Base-Base interactions energy: -1494.145 where: short stacking energy: -617.432 Base-Backbone interact. energy: -1.101 local terms energy: -700.991746 where: bonds (distance) C4'-P energy: -140.500 bonds (distance) P-C4' energy: -147.171 flat angles C4'-P-C4' energy: -156.975 flat angles P-C4'-P energy: -95.428 tors. eta vs tors. theta energy: -160.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1646.568939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.568939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.568939 (E_RNA) where: Base-Base interactions energy: -1037.907 where: short stacking energy: -474.483 Base-Backbone interact. energy: 10.274 local terms energy: -618.936670 where: bonds (distance) C4'-P energy: -135.565 bonds (distance) P-C4' energy: -155.997 flat angles C4'-P-C4' energy: -150.729 flat angles P-C4'-P energy: -84.816 tors. eta vs tors. theta energy: -91.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1404.871697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.871697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.871697 (E_RNA) where: Base-Base interactions energy: -863.023 where: short stacking energy: -420.766 Base-Backbone interact. energy: 1.150 local terms energy: -542.998322 where: bonds (distance) C4'-P energy: -120.435 bonds (distance) P-C4' energy: -133.811 flat angles C4'-P-C4' energy: -130.173 flat angles P-C4'-P energy: -79.521 tors. eta vs tors. theta energy: -79.060 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: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1166.566455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.566455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.566455 (E_RNA) where: Base-Base interactions energy: -620.809 where: short stacking energy: -313.499 Base-Backbone interact. energy: 3.687 local terms energy: -549.444540 where: bonds (distance) C4'-P energy: -138.030 bonds (distance) P-C4' energy: -145.849 flat angles C4'-P-C4' energy: -123.936 flat angles P-C4'-P energy: -91.727 tors. eta vs tors. theta energy: -49.902 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: 10, replica: 4 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -852.002824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.002824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.002824 (E_RNA) where: Base-Base interactions energy: -401.947 where: short stacking energy: -257.917 Base-Backbone interact. energy: 4.421 local terms energy: -454.476851 where: bonds (distance) C4'-P energy: -138.134 bonds (distance) P-C4' energy: -124.891 flat angles C4'-P-C4' energy: -121.473 flat angles P-C4'-P energy: -62.087 tors. eta vs tors. theta energy: -7.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2923.476557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.476557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.476557 (E_RNA) where: Base-Base interactions energy: -2001.438 where: short stacking energy: -826.435 Base-Backbone interact. energy: -6.158 local terms energy: -915.880213 where: bonds (distance) C4'-P energy: -153.139 bonds (distance) P-C4' energy: -180.536 flat angles C4'-P-C4' energy: -183.965 flat angles P-C4'-P energy: -145.640 tors. eta vs tors. theta energy: -252.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2850.665948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.665948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.665948 (E_RNA) where: Base-Base interactions energy: -1972.967 where: short stacking energy: -818.759 Base-Backbone interact. energy: -1.369 local terms energy: -876.330500 where: bonds (distance) C4'-P energy: -161.928 bonds (distance) P-C4' energy: -167.579 flat angles C4'-P-C4' energy: -173.428 flat angles P-C4'-P energy: -125.415 tors. eta vs tors. theta energy: -247.981 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: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2655.604219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.604219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.604219 (E_RNA) where: Base-Base interactions energy: -1801.447 where: short stacking energy: -798.404 Base-Backbone interact. energy: -0.905 local terms energy: -853.251923 where: bonds (distance) C4'-P energy: -156.538 bonds (distance) P-C4' energy: -163.961 flat angles C4'-P-C4' energy: -175.575 flat angles P-C4'-P energy: -125.607 tors. eta vs tors. theta energy: -231.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2534.589773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.589773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.589773 (E_RNA) where: Base-Base interactions energy: -1738.451 where: short stacking energy: -734.818 Base-Backbone interact. energy: 1.892 local terms energy: -798.030268 where: bonds (distance) C4'-P energy: -155.411 bonds (distance) P-C4' energy: -159.010 flat angles C4'-P-C4' energy: -183.348 flat angles P-C4'-P energy: -105.037 tors. eta vs tors. theta energy: -195.224 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: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2243.986957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.986957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.986957 (E_RNA) where: Base-Base interactions energy: -1506.256 where: short stacking energy: -620.662 Base-Backbone interact. energy: -1.729 local terms energy: -736.001261 where: bonds (distance) C4'-P energy: -150.206 bonds (distance) P-C4' energy: -141.790 flat angles C4'-P-C4' energy: -156.784 flat angles P-C4'-P energy: -99.614 tors. eta vs tors. theta energy: -187.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2115.443453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.443453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.443453 (E_RNA) where: Base-Base interactions energy: -1406.725 where: short stacking energy: -633.951 Base-Backbone interact. energy: -0.344 local terms energy: -708.373990 where: bonds (distance) C4'-P energy: -134.635 bonds (distance) P-C4' energy: -133.593 flat angles C4'-P-C4' energy: -174.639 flat angles P-C4'-P energy: -100.016 tors. eta vs tors. theta energy: -165.492 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: 295 Temperature: 1.200000 Total energy: -1615.690030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.690030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.690030 (E_RNA) where: Base-Base interactions energy: -1021.810 where: short stacking energy: -432.198 Base-Backbone interact. energy: 3.847 local terms energy: -597.727516 where: bonds (distance) C4'-P energy: -124.235 bonds (distance) P-C4' energy: -145.622 flat angles C4'-P-C4' energy: -138.446 flat angles P-C4'-P energy: -107.834 tors. eta vs tors. theta energy: -81.589 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: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1391.900151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.900151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.900151 (E_RNA) where: Base-Base interactions energy: -835.494 where: short stacking energy: -411.833 Base-Backbone interact. energy: 2.444 local terms energy: -558.849739 where: bonds (distance) C4'-P energy: -129.316 bonds (distance) P-C4' energy: -136.636 flat angles C4'-P-C4' energy: -142.431 flat angles P-C4'-P energy: -84.669 tors. eta vs tors. theta energy: -65.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1157.989641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.989641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.989641 (E_RNA) where: Base-Base interactions energy: -652.235 where: short stacking energy: -316.997 Base-Backbone interact. energy: -2.238 local terms energy: -503.516264 where: bonds (distance) C4'-P energy: -117.257 bonds (distance) P-C4' energy: -142.965 flat angles C4'-P-C4' energy: -126.248 flat angles P-C4'-P energy: -78.407 tors. eta vs tors. theta energy: -38.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -787.796981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.796981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.796981 (E_RNA) where: Base-Base interactions energy: -378.726 where: short stacking energy: -240.003 Base-Backbone interact. energy: -1.651 local terms energy: -407.420617 where: bonds (distance) C4'-P energy: -122.300 bonds (distance) P-C4' energy: -138.122 flat angles C4'-P-C4' energy: -100.149 flat angles P-C4'-P energy: -57.528 tors. eta vs tors. theta energy: 10.678 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: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2921.428042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.428042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.428042 (E_RNA) where: Base-Base interactions energy: -2008.162 where: short stacking energy: -832.454 Base-Backbone interact. energy: -5.139 local terms energy: -908.126664 where: bonds (distance) C4'-P energy: -161.605 bonds (distance) P-C4' energy: -164.465 flat angles C4'-P-C4' energy: -190.409 flat angles P-C4'-P energy: -140.265 tors. eta vs tors. theta energy: -251.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2886.297204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.297204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.297204 (E_RNA) where: Base-Base interactions energy: -1989.178 where: short stacking energy: -854.506 Base-Backbone interact. energy: -7.817 local terms energy: -889.302122 where: bonds (distance) C4'-P energy: -155.186 bonds (distance) P-C4' energy: -161.368 flat angles C4'-P-C4' energy: -191.150 flat angles P-C4'-P energy: -118.997 tors. eta vs tors. theta energy: -262.600 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: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2659.121138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.121138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.121138 (E_RNA) where: Base-Base interactions energy: -1801.259 where: short stacking energy: -775.834 Base-Backbone interact. energy: -1.046 local terms energy: -856.815927 where: bonds (distance) C4'-P energy: -165.421 bonds (distance) P-C4' energy: -152.266 flat angles C4'-P-C4' energy: -179.466 flat angles P-C4'-P energy: -127.823 tors. eta vs tors. theta energy: -231.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2531.885852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.885852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.885852 (E_RNA) where: Base-Base interactions energy: -1718.756 where: short stacking energy: -727.834 Base-Backbone interact. energy: -0.712 local terms energy: -812.417847 where: bonds (distance) C4'-P energy: -147.480 bonds (distance) P-C4' energy: -162.203 flat angles C4'-P-C4' energy: -185.507 flat angles P-C4'-P energy: -111.745 tors. eta vs tors. theta energy: -205.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2289.414770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.414770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.414770 (E_RNA) where: Base-Base interactions energy: -1546.240 where: short stacking energy: -673.957 Base-Backbone interact. energy: -2.172 local terms energy: -741.002685 where: bonds (distance) C4'-P energy: -127.445 bonds (distance) P-C4' energy: -149.906 flat angles C4'-P-C4' energy: -167.709 flat angles P-C4'-P energy: -115.321 tors. eta vs tors. theta energy: -180.620 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: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2133.683445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.683445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.683445 (E_RNA) where: Base-Base interactions energy: -1405.731 where: short stacking energy: -628.360 Base-Backbone interact. energy: -2.262 local terms energy: -725.690275 where: bonds (distance) C4'-P energy: -137.680 bonds (distance) P-C4' energy: -163.014 flat angles C4'-P-C4' energy: -159.447 flat angles P-C4'-P energy: -93.544 tors. eta vs tors. theta energy: -172.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1578.891753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.891753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.891753 (E_RNA) where: Base-Base interactions energy: -987.136 where: short stacking energy: -423.392 Base-Backbone interact. energy: 10.345 local terms energy: -602.100485 where: bonds (distance) C4'-P energy: -122.292 bonds (distance) P-C4' energy: -147.300 flat angles C4'-P-C4' energy: -144.949 flat angles P-C4'-P energy: -104.479 tors. eta vs tors. theta energy: -83.080 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: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1396.135816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.135816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.135816 (E_RNA) where: Base-Base interactions energy: -847.125 where: short stacking energy: -402.427 Base-Backbone interact. energy: 4.226 local terms energy: -553.236430 where: bonds (distance) C4'-P energy: -138.219 bonds (distance) P-C4' energy: -128.919 flat angles C4'-P-C4' energy: -125.887 flat angles P-C4'-P energy: -92.101 tors. eta vs tors. theta energy: -68.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1125.305482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.305482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.305482 (E_RNA) where: Base-Base interactions energy: -654.720 where: short stacking energy: -323.847 Base-Backbone interact. energy: 5.289 local terms energy: -475.874225 where: bonds (distance) C4'-P energy: -134.433 bonds (distance) P-C4' energy: -142.710 flat angles C4'-P-C4' energy: -117.462 flat angles P-C4'-P energy: -72.003 tors. eta vs tors. theta energy: -9.266 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: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -840.113727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.113727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.113727 (E_RNA) where: Base-Base interactions energy: -417.027 where: short stacking energy: -241.461 Base-Backbone interact. energy: 3.851 local terms energy: -426.936925 where: bonds (distance) C4'-P energy: -99.666 bonds (distance) P-C4' energy: -138.827 flat angles C4'-P-C4' energy: -126.287 flat angles P-C4'-P energy: -64.141 tors. eta vs tors. theta energy: 1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2923.399888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.399888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.399888 (E_RNA) where: Base-Base interactions energy: -2005.159 where: short stacking energy: -847.259 Base-Backbone interact. energy: -5.837 local terms energy: -912.404067 where: bonds (distance) C4'-P energy: -150.902 bonds (distance) P-C4' energy: -181.613 flat angles C4'-P-C4' energy: -195.019 flat angles P-C4'-P energy: -129.546 tors. eta vs tors. theta energy: -255.324 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: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2896.237589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.237589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.237589 (E_RNA) where: Base-Base interactions energy: -1989.440 where: short stacking energy: -860.950 Base-Backbone interact. energy: -2.813 local terms energy: -903.984635 where: bonds (distance) C4'-P energy: -150.878 bonds (distance) P-C4' energy: -167.115 flat angles C4'-P-C4' energy: -195.440 flat angles P-C4'-P energy: -127.575 tors. eta vs tors. theta energy: -262.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2685.173816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.173816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.173816 (E_RNA) where: Base-Base interactions energy: -1823.084 where: short stacking energy: -805.072 Base-Backbone interact. energy: -3.264 local terms energy: -858.825861 where: bonds (distance) C4'-P energy: -174.784 bonds (distance) P-C4' energy: -148.093 flat angles C4'-P-C4' energy: -178.954 flat angles P-C4'-P energy: -111.244 tors. eta vs tors. theta energy: -245.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2532.300435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.300435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.300435 (E_RNA) where: Base-Base interactions energy: -1745.580 where: short stacking energy: -759.071 Base-Backbone interact. energy: 0.728 local terms energy: -787.448773 where: bonds (distance) C4'-P energy: -134.207 bonds (distance) P-C4' energy: -151.627 flat angles C4'-P-C4' energy: -185.406 flat angles P-C4'-P energy: -98.084 tors. eta vs tors. theta energy: -218.124 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: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2251.427912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.427912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.427912 (E_RNA) where: Base-Base interactions energy: -1514.914 where: short stacking energy: -648.071 Base-Backbone interact. energy: -3.544 local terms energy: -732.969535 where: bonds (distance) C4'-P energy: -136.122 bonds (distance) P-C4' energy: -167.326 flat angles C4'-P-C4' energy: -165.189 flat angles P-C4'-P energy: -97.508 tors. eta vs tors. theta energy: -166.824 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: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2154.139876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.139876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.139876 (E_RNA) where: Base-Base interactions energy: -1475.656 where: short stacking energy: -652.274 Base-Backbone interact. energy: 1.098 local terms energy: -679.582213 where: bonds (distance) C4'-P energy: -129.769 bonds (distance) P-C4' energy: -151.375 flat angles C4'-P-C4' energy: -155.770 flat angles P-C4'-P energy: -77.420 tors. eta vs tors. theta energy: -165.248 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: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1615.598996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.598996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.598996 (E_RNA) where: Base-Base interactions energy: -986.879 where: short stacking energy: -470.973 Base-Backbone interact. energy: -5.000 local terms energy: -623.720048 where: bonds (distance) C4'-P energy: -136.993 bonds (distance) P-C4' energy: -145.680 flat angles C4'-P-C4' energy: -146.462 flat angles P-C4'-P energy: -94.712 tors. eta vs tors. theta energy: -99.874 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: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1428.028731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.028731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.028731 (E_RNA) where: Base-Base interactions energy: -861.994 where: short stacking energy: -405.178 Base-Backbone interact. energy: 3.503 local terms energy: -569.538105 where: bonds (distance) C4'-P energy: -125.092 bonds (distance) P-C4' energy: -145.167 flat angles C4'-P-C4' energy: -139.968 flat angles P-C4'-P energy: -85.297 tors. eta vs tors. theta energy: -74.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1143.614977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.614977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.614977 (E_RNA) where: Base-Base interactions energy: -622.262 where: short stacking energy: -303.357 Base-Backbone interact. energy: -1.134 local terms energy: -520.219192 where: bonds (distance) C4'-P energy: -120.372 bonds (distance) P-C4' energy: -152.769 flat angles C4'-P-C4' energy: -134.065 flat angles P-C4'-P energy: -72.179 tors. eta vs tors. theta energy: -40.834 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: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -786.757239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.757239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.757239 (E_RNA) where: Base-Base interactions energy: -341.373 where: short stacking energy: -211.089 Base-Backbone interact. energy: -3.057 local terms energy: -442.327165 where: bonds (distance) C4'-P energy: -124.970 bonds (distance) P-C4' energy: -136.363 flat angles C4'-P-C4' energy: -104.492 flat angles P-C4'-P energy: -78.808 tors. eta vs tors. theta energy: 2.306 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: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2947.887628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.887628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.887628 (E_RNA) where: Base-Base interactions energy: -2036.312 where: short stacking energy: -863.936 Base-Backbone interact. energy: -2.828 local terms energy: -908.747961 where: bonds (distance) C4'-P energy: -173.742 bonds (distance) P-C4' energy: -157.140 flat angles C4'-P-C4' energy: -191.511 flat angles P-C4'-P energy: -124.102 tors. eta vs tors. theta energy: -262.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2852.947682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.947682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.947682 (E_RNA) where: Base-Base interactions energy: -1956.852 where: short stacking energy: -831.182 Base-Backbone interact. energy: 0.496 local terms energy: -896.591563 where: bonds (distance) C4'-P energy: -170.683 bonds (distance) P-C4' energy: -166.888 flat angles C4'-P-C4' energy: -198.319 flat angles P-C4'-P energy: -114.411 tors. eta vs tors. theta energy: -246.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2637.339761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.339761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.339761 (E_RNA) where: Base-Base interactions energy: -1823.398 where: short stacking energy: -737.010 Base-Backbone interact. energy: -1.900 local terms energy: -812.041627 where: bonds (distance) C4'-P energy: -163.927 bonds (distance) P-C4' energy: -145.900 flat angles C4'-P-C4' energy: -178.787 flat angles P-C4'-P energy: -111.299 tors. eta vs tors. theta energy: -212.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2586.968409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.968409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.968409 (E_RNA) where: Base-Base interactions energy: -1774.026 where: short stacking energy: -775.262 Base-Backbone interact. energy: -1.695 local terms energy: -811.248238 where: bonds (distance) C4'-P energy: -127.844 bonds (distance) P-C4' energy: -146.883 flat angles C4'-P-C4' energy: -171.544 flat angles P-C4'-P energy: -127.724 tors. eta vs tors. theta energy: -237.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2261.432498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.432498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.432498 (E_RNA) where: Base-Base interactions energy: -1490.354 where: short stacking energy: -663.460 Base-Backbone interact. energy: -2.075 local terms energy: -769.003888 where: bonds (distance) C4'-P energy: -153.524 bonds (distance) P-C4' energy: -159.046 flat angles C4'-P-C4' energy: -172.006 flat angles P-C4'-P energy: -102.362 tors. eta vs tors. theta energy: -182.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2124.826627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.826627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.826627 (E_RNA) where: Base-Base interactions energy: -1423.250 where: short stacking energy: -599.015 Base-Backbone interact. energy: -1.436 local terms energy: -700.140767 where: bonds (distance) C4'-P energy: -139.317 bonds (distance) P-C4' energy: -149.871 flat angles C4'-P-C4' energy: -156.279 flat angles P-C4'-P energy: -104.011 tors. eta vs tors. theta energy: -150.662 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: 298 Temperature: 1.200000 Total energy: -1603.267373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.267373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.267373 (E_RNA) where: Base-Base interactions energy: -978.984 where: short stacking energy: -459.926 Base-Backbone interact. energy: -0.530 local terms energy: -623.754134 where: bonds (distance) C4'-P energy: -125.735 bonds (distance) P-C4' energy: -168.861 flat angles C4'-P-C4' energy: -150.511 flat angles P-C4'-P energy: -81.590 tors. eta vs tors. theta energy: -97.057 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: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1388.532204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.532204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.532204 (E_RNA) where: Base-Base interactions energy: -824.753 where: short stacking energy: -401.041 Base-Backbone interact. energy: 2.637 local terms energy: -566.416178 where: bonds (distance) C4'-P energy: -141.880 bonds (distance) P-C4' energy: -146.660 flat angles C4'-P-C4' energy: -114.631 flat angles P-C4'-P energy: -82.994 tors. eta vs tors. theta energy: -80.251 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: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1212.941874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.941874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.941874 (E_RNA) where: Base-Base interactions energy: -695.644 where: short stacking energy: -331.313 Base-Backbone interact. energy: -2.757 local terms energy: -514.540709 where: bonds (distance) C4'-P energy: -118.773 bonds (distance) P-C4' energy: -134.314 flat angles C4'-P-C4' energy: -142.460 flat angles P-C4'-P energy: -70.383 tors. eta vs tors. theta energy: -48.611 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: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -824.440040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.440040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.440040 (E_RNA) where: Base-Base interactions energy: -381.811 where: short stacking energy: -206.341 Base-Backbone interact. energy: 0.852 local terms energy: -443.481250 where: bonds (distance) C4'-P energy: -126.680 bonds (distance) P-C4' energy: -146.826 flat angles C4'-P-C4' energy: -118.252 flat angles P-C4'-P energy: -59.998 tors. eta vs tors. theta energy: 8.275 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: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2894.293121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.293121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.293121 (E_RNA) where: Base-Base interactions energy: -1981.936 where: short stacking energy: -842.712 Base-Backbone interact. energy: -2.243 local terms energy: -910.114451 where: bonds (distance) C4'-P energy: -168.036 bonds (distance) P-C4' energy: -180.499 flat angles C4'-P-C4' energy: -193.849 flat angles P-C4'-P energy: -124.473 tors. eta vs tors. theta energy: -243.258 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: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2831.873677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.873677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.873677 (E_RNA) where: Base-Base interactions energy: -1936.576 where: short stacking energy: -805.581 Base-Backbone interact. energy: -7.695 local terms energy: -887.603127 where: bonds (distance) C4'-P energy: -153.087 bonds (distance) P-C4' energy: -168.786 flat angles C4'-P-C4' energy: -203.587 flat angles P-C4'-P energy: -115.697 tors. eta vs tors. theta energy: -246.446 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: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2684.635584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.635584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.635584 (E_RNA) where: Base-Base interactions energy: -1830.976 where: short stacking energy: -774.616 Base-Backbone interact. energy: -2.599 local terms energy: -851.060998 where: bonds (distance) C4'-P energy: -165.732 bonds (distance) P-C4' energy: -155.704 flat angles C4'-P-C4' energy: -179.883 flat angles P-C4'-P energy: -117.406 tors. eta vs tors. theta energy: -232.336 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: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2588.569557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.569557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.569557 (E_RNA) where: Base-Base interactions energy: -1760.767 where: short stacking energy: -758.578 Base-Backbone interact. energy: -2.209 local terms energy: -825.594279 where: bonds (distance) C4'-P energy: -140.704 bonds (distance) P-C4' energy: -151.217 flat angles C4'-P-C4' energy: -188.322 flat angles P-C4'-P energy: -118.814 tors. eta vs tors. theta energy: -226.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2264.222461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.222461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.222461 (E_RNA) where: Base-Base interactions energy: -1513.241 where: short stacking energy: -657.977 Base-Backbone interact. energy: -2.627 local terms energy: -748.353941 where: bonds (distance) C4'-P energy: -132.867 bonds (distance) P-C4' energy: -160.012 flat angles C4'-P-C4' energy: -178.042 flat angles P-C4'-P energy: -98.704 tors. eta vs tors. theta energy: -178.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2172.071245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.071245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.071245 (E_RNA) where: Base-Base interactions energy: -1482.683 where: short stacking energy: -622.409 Base-Backbone interact. energy: -0.724 local terms energy: -688.664063 where: bonds (distance) C4'-P energy: -151.817 bonds (distance) P-C4' energy: -126.644 flat angles C4'-P-C4' energy: -141.055 flat angles P-C4'-P energy: -101.381 tors. eta vs tors. theta energy: -167.767 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: 7 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1651.658353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.658353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.658353 (E_RNA) where: Base-Base interactions energy: -1011.402 where: short stacking energy: -470.023 Base-Backbone interact. energy: -2.937 local terms energy: -637.319718 where: bonds (distance) C4'-P energy: -122.138 bonds (distance) P-C4' energy: -147.282 flat angles C4'-P-C4' energy: -147.101 flat angles P-C4'-P energy: -97.974 tors. eta vs tors. theta energy: -122.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1408.751559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.751559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.751559 (E_RNA) where: Base-Base interactions energy: -824.964 where: short stacking energy: -381.995 Base-Backbone interact. energy: 0.089 local terms energy: -583.877087 where: bonds (distance) C4'-P energy: -158.667 bonds (distance) P-C4' energy: -132.345 flat angles C4'-P-C4' energy: -131.663 flat angles P-C4'-P energy: -84.755 tors. eta vs tors. theta energy: -76.447 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: 299 Temperature: 1.300000 Total energy: -1187.397738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.397738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.397738 (E_RNA) where: Base-Base interactions energy: -650.393 where: short stacking energy: -314.957 Base-Backbone interact. energy: -5.790 local terms energy: -531.214605 where: bonds (distance) C4'-P energy: -143.249 bonds (distance) P-C4' energy: -140.663 flat angles C4'-P-C4' energy: -138.724 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -33.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -799.205927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.205927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.205927 (E_RNA) where: Base-Base interactions energy: -368.352 where: short stacking energy: -212.733 Base-Backbone interact. energy: -1.659 local terms energy: -429.195150 where: bonds (distance) C4'-P energy: -137.608 bonds (distance) P-C4' energy: -117.389 flat angles C4'-P-C4' energy: -134.894 flat angles P-C4'-P energy: -76.678 tors. eta vs tors. theta energy: 37.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2913.108201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.108201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.108201 (E_RNA) where: Base-Base interactions energy: -2015.182 where: short stacking energy: -854.169 Base-Backbone interact. energy: -2.115 local terms energy: -895.811494 where: bonds (distance) C4'-P energy: -147.246 bonds (distance) P-C4' energy: -168.560 flat angles C4'-P-C4' energy: -188.946 flat angles P-C4'-P energy: -126.616 tors. eta vs tors. theta energy: -264.443 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: 2, replica: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2832.670786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.670786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.670786 (E_RNA) where: Base-Base interactions energy: -1939.146 where: short stacking energy: -818.577 Base-Backbone interact. energy: -3.905 local terms energy: -889.620053 where: bonds (distance) C4'-P energy: -152.392 bonds (distance) P-C4' energy: -185.122 flat angles C4'-P-C4' energy: -185.603 flat angles P-C4'-P energy: -124.280 tors. eta vs tors. theta energy: -242.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2687.656338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.656338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.656338 (E_RNA) where: Base-Base interactions energy: -1847.233 where: short stacking energy: -768.132 Base-Backbone interact. energy: -7.035 local terms energy: -833.389126 where: bonds (distance) C4'-P energy: -165.323 bonds (distance) P-C4' energy: -154.406 flat angles C4'-P-C4' energy: -162.385 flat angles P-C4'-P energy: -124.684 tors. eta vs tors. theta energy: -226.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2562.823580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.823580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.823580 (E_RNA) where: Base-Base interactions energy: -1740.883 where: short stacking energy: -738.257 Base-Backbone interact. energy: -3.802 local terms energy: -818.138263 where: bonds (distance) C4'-P energy: -150.186 bonds (distance) P-C4' energy: -160.789 flat angles C4'-P-C4' energy: -175.384 flat angles P-C4'-P energy: -99.818 tors. eta vs tors. theta energy: -231.962 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: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2242.623642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.623642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.623642 (E_RNA) where: Base-Base interactions energy: -1483.309 where: short stacking energy: -646.034 Base-Backbone interact. energy: -2.617 local terms energy: -756.697654 where: bonds (distance) C4'-P energy: -150.131 bonds (distance) P-C4' energy: -156.230 flat angles C4'-P-C4' energy: -166.936 flat angles P-C4'-P energy: -99.369 tors. eta vs tors. theta energy: -184.031 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: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2204.567348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.567348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.567348 (E_RNA) where: Base-Base interactions energy: -1475.883 where: short stacking energy: -618.036 Base-Backbone interact. energy: -2.957 local terms energy: -725.727566 where: bonds (distance) C4'-P energy: -138.966 bonds (distance) P-C4' energy: -146.615 flat angles C4'-P-C4' energy: -169.214 flat angles P-C4'-P energy: -105.273 tors. eta vs tors. theta energy: -165.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1679.855155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.855155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.855155 (E_RNA) where: Base-Base interactions energy: -1069.258 where: short stacking energy: -508.000 Base-Backbone interact. energy: 2.406 local terms energy: -613.003009 where: bonds (distance) C4'-P energy: -121.305 bonds (distance) P-C4' energy: -136.682 flat angles C4'-P-C4' energy: -141.415 flat angles P-C4'-P energy: -91.550 tors. eta vs tors. theta energy: -122.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1405.134331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.134331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.134331 (E_RNA) where: Base-Base interactions energy: -820.741 where: short stacking energy: -391.042 Base-Backbone interact. energy: -1.891 local terms energy: -582.502083 where: bonds (distance) C4'-P energy: -154.834 bonds (distance) P-C4' energy: -150.224 flat angles C4'-P-C4' energy: -133.629 flat angles P-C4'-P energy: -77.612 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: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1209.865572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.865572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.865572 (E_RNA) where: Base-Base interactions energy: -676.991 where: short stacking energy: -350.065 Base-Backbone interact. energy: 1.749 local terms energy: -534.623207 where: bonds (distance) C4'-P energy: -156.035 bonds (distance) P-C4' energy: -153.794 flat angles C4'-P-C4' energy: -127.852 flat angles P-C4'-P energy: -74.159 tors. eta vs tors. theta energy: -22.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -894.391065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.391065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.391065 (E_RNA) where: Base-Base interactions energy: -468.186 where: short stacking energy: -235.258 Base-Backbone interact. energy: 6.468 local terms energy: -432.672114 where: bonds (distance) C4'-P energy: -132.654 bonds (distance) P-C4' energy: -132.755 flat angles C4'-P-C4' energy: -111.523 flat angles P-C4'-P energy: -65.420 tors. eta vs tors. theta energy: 9.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2920.943000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.943000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.943000 (E_RNA) where: Base-Base interactions energy: -1967.361 where: short stacking energy: -845.146 Base-Backbone interact. energy: -4.728 local terms energy: -948.853749 where: bonds (distance) C4'-P energy: -172.871 bonds (distance) P-C4' energy: -177.628 flat angles C4'-P-C4' energy: -202.236 flat angles P-C4'-P energy: -141.050 tors. eta vs tors. theta energy: -255.068 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: 2, replica: 1 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2790.096448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.096448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.096448 (E_RNA) where: Base-Base interactions energy: -1901.474 where: short stacking energy: -822.305 Base-Backbone interact. energy: -2.017 local terms energy: -886.605827 where: bonds (distance) C4'-P energy: -149.849 bonds (distance) P-C4' energy: -171.043 flat angles C4'-P-C4' energy: -194.586 flat angles P-C4'-P energy: -132.446 tors. eta vs tors. theta energy: -238.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2708.474346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.474346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.474346 (E_RNA) where: Base-Base interactions energy: -1873.777 where: short stacking energy: -789.442 Base-Backbone interact. energy: -3.277 local terms energy: -831.419739 where: bonds (distance) C4'-P energy: -162.461 bonds (distance) P-C4' energy: -158.192 flat angles C4'-P-C4' energy: -163.253 flat angles P-C4'-P energy: -116.860 tors. eta vs tors. theta energy: -230.653 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: 301 Temperature: 1.050000 Total energy: -2632.593282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.593282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.593282 (E_RNA) where: Base-Base interactions energy: -1794.237 where: short stacking energy: -784.183 Base-Backbone interact. energy: -5.276 local terms energy: -833.079476 where: bonds (distance) C4'-P energy: -156.313 bonds (distance) P-C4' energy: -153.350 flat angles C4'-P-C4' energy: -176.215 flat angles P-C4'-P energy: -108.931 tors. eta vs tors. theta energy: -238.271 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: 9 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2173.334776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.334776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.334776 (E_RNA) where: Base-Base interactions energy: -1432.846 where: short stacking energy: -614.542 Base-Backbone interact. energy: -3.075 local terms energy: -737.413684 where: bonds (distance) C4'-P energy: -136.748 bonds (distance) P-C4' energy: -155.073 flat angles C4'-P-C4' energy: -159.870 flat angles P-C4'-P energy: -119.234 tors. eta vs tors. theta energy: -166.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2221.253082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.253082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.253082 (E_RNA) where: Base-Base interactions energy: -1487.503 where: short stacking energy: -643.655 Base-Backbone interact. energy: 0.346 local terms energy: -734.095753 where: bonds (distance) C4'-P energy: -139.857 bonds (distance) P-C4' energy: -145.195 flat angles C4'-P-C4' energy: -168.165 flat angles P-C4'-P energy: -110.805 tors. eta vs tors. theta energy: -170.074 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: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1695.675770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.675770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.675770 (E_RNA) where: Base-Base interactions energy: -1048.311 where: short stacking energy: -480.777 Base-Backbone interact. energy: -1.914 local terms energy: -645.450933 where: bonds (distance) C4'-P energy: -141.824 bonds (distance) P-C4' energy: -152.428 flat angles C4'-P-C4' energy: -131.279 flat angles P-C4'-P energy: -99.911 tors. eta vs tors. theta energy: -120.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1392.629925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.629925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.629925 (E_RNA) where: Base-Base interactions energy: -822.363 where: short stacking energy: -395.164 Base-Backbone interact. energy: 8.281 local terms energy: -578.547785 where: bonds (distance) C4'-P energy: -144.002 bonds (distance) P-C4' energy: -152.731 flat angles C4'-P-C4' energy: -131.026 flat angles P-C4'-P energy: -78.977 tors. eta vs tors. theta energy: -71.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1107.600598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.600598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.600598 (E_RNA) where: Base-Base interactions energy: -606.817 where: short stacking energy: -299.948 Base-Backbone interact. energy: 7.515 local terms energy: -508.298006 where: bonds (distance) C4'-P energy: -125.849 bonds (distance) P-C4' energy: -181.662 flat angles C4'-P-C4' energy: -110.412 flat angles P-C4'-P energy: -65.895 tors. eta vs tors. theta energy: -24.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -876.043688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.043688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.043688 (E_RNA) where: Base-Base interactions energy: -459.298 where: short stacking energy: -263.641 Base-Backbone interact. energy: 5.817 local terms energy: -422.562804 where: bonds (distance) C4'-P energy: -121.842 bonds (distance) P-C4' energy: -133.990 flat angles C4'-P-C4' energy: -108.332 flat angles P-C4'-P energy: -57.625 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2953.841766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.841766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.841766 (E_RNA) where: Base-Base interactions energy: -2010.862 where: short stacking energy: -845.484 Base-Backbone interact. energy: -7.341 local terms energy: -935.638741 where: bonds (distance) C4'-P energy: -152.504 bonds (distance) P-C4' energy: -189.258 flat angles C4'-P-C4' energy: -199.427 flat angles P-C4'-P energy: -135.421 tors. eta vs tors. theta energy: -259.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2817.221264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.221264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.221264 (E_RNA) where: Base-Base interactions energy: -1918.851 where: short stacking energy: -810.536 Base-Backbone interact. energy: -3.788 local terms energy: -894.582453 where: bonds (distance) C4'-P energy: -164.031 bonds (distance) P-C4' energy: -166.841 flat angles C4'-P-C4' energy: -186.085 flat angles P-C4'-P energy: -127.938 tors. eta vs tors. theta energy: -249.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2669.274236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.274236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.274236 (E_RNA) where: Base-Base interactions energy: -1795.980 where: short stacking energy: -752.505 Base-Backbone interact. energy: 0.322 local terms energy: -873.616442 where: bonds (distance) C4'-P energy: -156.259 bonds (distance) P-C4' energy: -182.238 flat angles C4'-P-C4' energy: -183.277 flat angles P-C4'-P energy: -116.517 tors. eta vs tors. theta energy: -235.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2624.243176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.243176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.243176 (E_RNA) where: Base-Base interactions energy: -1783.843 where: short stacking energy: -784.950 Base-Backbone interact. energy: -2.278 local terms energy: -838.122019 where: bonds (distance) C4'-P energy: -144.414 bonds (distance) P-C4' energy: -162.998 flat angles C4'-P-C4' energy: -165.802 flat angles P-C4'-P energy: -119.762 tors. eta vs tors. theta energy: -245.146 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: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2279.087002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.087002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.087002 (E_RNA) where: Base-Base interactions energy: -1555.642 where: short stacking energy: -632.557 Base-Backbone interact. energy: 1.880 local terms energy: -725.325105 where: bonds (distance) C4'-P energy: -142.281 bonds (distance) P-C4' energy: -158.044 flat angles C4'-P-C4' energy: -167.957 flat angles P-C4'-P energy: -94.788 tors. eta vs tors. theta energy: -162.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2045.861390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.861390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.861390 (E_RNA) where: Base-Base interactions energy: -1339.983 where: short stacking energy: -569.899 Base-Backbone interact. energy: -5.024 local terms energy: -700.854771 where: bonds (distance) C4'-P energy: -131.778 bonds (distance) P-C4' energy: -149.990 flat angles C4'-P-C4' energy: -163.996 flat angles P-C4'-P energy: -106.658 tors. eta vs tors. theta energy: -148.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1678.477115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.477115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.477115 (E_RNA) where: Base-Base interactions energy: -1075.035 where: short stacking energy: -479.887 Base-Backbone interact. energy: 2.172 local terms energy: -605.614427 where: bonds (distance) C4'-P energy: -137.307 bonds (distance) P-C4' energy: -123.077 flat angles C4'-P-C4' energy: -153.908 flat angles P-C4'-P energy: -98.736 tors. eta vs tors. theta energy: -92.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1421.934859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.934859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.934859 (E_RNA) where: Base-Base interactions energy: -831.444 where: short stacking energy: -378.778 Base-Backbone interact. energy: -5.240 local terms energy: -585.250337 where: bonds (distance) C4'-P energy: -139.433 bonds (distance) P-C4' energy: -157.780 flat angles C4'-P-C4' energy: -148.587 flat angles P-C4'-P energy: -84.968 tors. eta vs tors. theta energy: -54.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1130.262087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.262087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.262087 (E_RNA) where: Base-Base interactions energy: -626.363 where: short stacking energy: -292.974 Base-Backbone interact. energy: -0.874 local terms energy: -503.025172 where: bonds (distance) C4'-P energy: -147.913 bonds (distance) P-C4' energy: -130.049 flat angles C4'-P-C4' energy: -109.938 flat angles P-C4'-P energy: -101.403 tors. eta vs tors. theta energy: -13.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -823.970711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.970711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.970711 (E_RNA) where: Base-Base interactions energy: -383.619 where: short stacking energy: -227.111 Base-Backbone interact. energy: 0.922 local terms energy: -441.274023 where: bonds (distance) C4'-P energy: -146.394 bonds (distance) P-C4' energy: -116.071 flat angles C4'-P-C4' energy: -118.916 flat angles P-C4'-P energy: -78.031 tors. eta vs tors. theta energy: 18.138 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: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2970.208073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.208073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.208073 (E_RNA) where: Base-Base interactions energy: -2047.893 where: short stacking energy: -849.324 Base-Backbone interact. energy: -4.228 local terms energy: -918.087189 where: bonds (distance) C4'-P energy: -162.662 bonds (distance) P-C4' energy: -167.362 flat angles C4'-P-C4' energy: -191.335 flat angles P-C4'-P energy: -135.620 tors. eta vs tors. theta energy: -261.107 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: 2, replica: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2819.195527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.195527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.195527 (E_RNA) where: Base-Base interactions energy: -1935.556 where: short stacking energy: -795.831 Base-Backbone interact. energy: -3.723 local terms energy: -879.916303 where: bonds (distance) C4'-P energy: -158.065 bonds (distance) P-C4' energy: -162.356 flat angles C4'-P-C4' energy: -182.246 flat angles P-C4'-P energy: -122.059 tors. eta vs tors. theta energy: -255.191 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: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2670.771082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.771082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.771082 (E_RNA) where: Base-Base interactions energy: -1854.506 where: short stacking energy: -767.244 Base-Backbone interact. energy: 2.321 local terms energy: -818.586060 where: bonds (distance) C4'-P energy: -156.874 bonds (distance) P-C4' energy: -153.110 flat angles C4'-P-C4' energy: -175.131 flat angles P-C4'-P energy: -114.267 tors. eta vs tors. theta energy: -219.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2608.522368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.522368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.522368 (E_RNA) where: Base-Base interactions energy: -1773.820 where: short stacking energy: -792.123 Base-Backbone interact. energy: -2.756 local terms energy: -831.946110 where: bonds (distance) C4'-P energy: -156.867 bonds (distance) P-C4' energy: -164.106 flat angles C4'-P-C4' energy: -168.907 flat angles P-C4'-P energy: -97.807 tors. eta vs tors. theta energy: -244.260 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: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2292.013144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.013144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.013144 (E_RNA) where: Base-Base interactions energy: -1518.838 where: short stacking energy: -614.613 Base-Backbone interact. energy: 1.344 local terms energy: -774.519280 where: bonds (distance) C4'-P energy: -154.065 bonds (distance) P-C4' energy: -177.949 flat angles C4'-P-C4' energy: -174.244 flat angles P-C4'-P energy: -96.324 tors. eta vs tors. theta energy: -171.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1971.947874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.947874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.947874 (E_RNA) where: Base-Base interactions energy: -1262.725 where: short stacking energy: -574.366 Base-Backbone interact. energy: -1.634 local terms energy: -707.588950 where: bonds (distance) C4'-P energy: -152.513 bonds (distance) P-C4' energy: -149.197 flat angles C4'-P-C4' energy: -172.560 flat angles P-C4'-P energy: -80.149 tors. eta vs tors. theta energy: -153.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1668.755408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.755408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.755408 (E_RNA) where: Base-Base interactions energy: -1066.184 where: short stacking energy: -500.335 Base-Backbone interact. energy: 1.551 local terms energy: -604.122363 where: bonds (distance) C4'-P energy: -120.551 bonds (distance) P-C4' energy: -133.430 flat angles C4'-P-C4' energy: -153.990 flat angles P-C4'-P energy: -101.931 tors. eta vs tors. theta energy: -94.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1380.056645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.056645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.056645 (E_RNA) where: Base-Base interactions energy: -869.411 where: short stacking energy: -391.158 Base-Backbone interact. energy: -0.574 local terms energy: -510.071021 where: bonds (distance) C4'-P energy: -115.600 bonds (distance) P-C4' energy: -138.748 flat angles C4'-P-C4' energy: -114.493 flat angles P-C4'-P energy: -81.490 tors. eta vs tors. theta energy: -59.739 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: 9, replica: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1166.269530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.269530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.269530 (E_RNA) where: Base-Base interactions energy: -654.152 where: short stacking energy: -332.661 Base-Backbone interact. energy: 3.850 local terms energy: -515.967079 where: bonds (distance) C4'-P energy: -116.513 bonds (distance) P-C4' energy: -133.037 flat angles C4'-P-C4' energy: -134.033 flat angles P-C4'-P energy: -78.915 tors. eta vs tors. theta energy: -53.469 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: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -821.420135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.420135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.420135 (E_RNA) where: Base-Base interactions energy: -409.114 where: short stacking energy: -250.842 Base-Backbone interact. energy: 18.605 local terms energy: -430.910670 where: bonds (distance) C4'-P energy: -115.580 bonds (distance) P-C4' energy: -129.249 flat angles C4'-P-C4' energy: -132.670 flat angles P-C4'-P energy: -59.984 tors. eta vs tors. theta energy: 6.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2968.777718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.777718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.777718 (E_RNA) where: Base-Base interactions energy: -2052.566 where: short stacking energy: -825.679 Base-Backbone interact. energy: -5.219 local terms energy: -910.992146 where: bonds (distance) C4'-P energy: -171.935 bonds (distance) P-C4' energy: -158.049 flat angles C4'-P-C4' energy: -195.728 flat angles P-C4'-P energy: -128.251 tors. eta vs tors. theta energy: -257.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2773.984263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.984263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.984263 (E_RNA) where: Base-Base interactions energy: -1894.894 where: short stacking energy: -802.840 Base-Backbone interact. energy: -4.905 local terms energy: -874.184865 where: bonds (distance) C4'-P energy: -169.196 bonds (distance) P-C4' energy: -170.565 flat angles C4'-P-C4' energy: -191.730 flat angles P-C4'-P energy: -117.322 tors. eta vs tors. theta energy: -225.372 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: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2664.672191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.672191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.672191 (E_RNA) where: Base-Base interactions energy: -1829.747 where: short stacking energy: -776.211 Base-Backbone interact. energy: -1.945 local terms energy: -832.981144 where: bonds (distance) C4'-P energy: -141.402 bonds (distance) P-C4' energy: -172.984 flat angles C4'-P-C4' energy: -154.422 flat angles P-C4'-P energy: -131.671 tors. eta vs tors. theta energy: -232.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2572.350947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.350947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.350947 (E_RNA) where: Base-Base interactions energy: -1714.714 where: short stacking energy: -767.740 Base-Backbone interact. energy: -0.073 local terms energy: -857.563945 where: bonds (distance) C4'-P energy: -143.863 bonds (distance) P-C4' energy: -165.536 flat angles C4'-P-C4' energy: -175.223 flat angles P-C4'-P energy: -131.526 tors. eta vs tors. theta energy: -241.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2256.875100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.875100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.875100 (E_RNA) where: Base-Base interactions energy: -1540.008 where: short stacking energy: -661.175 Base-Backbone interact. energy: -4.363 local terms energy: -712.504558 where: bonds (distance) C4'-P energy: -133.091 bonds (distance) P-C4' energy: -143.496 flat angles C4'-P-C4' energy: -160.369 flat angles P-C4'-P energy: -98.345 tors. eta vs tors. theta energy: -177.204 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: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1942.313173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.313173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.313173 (E_RNA) where: Base-Base interactions energy: -1273.940 where: short stacking energy: -546.020 Base-Backbone interact. energy: -0.931 local terms energy: -667.442215 where: bonds (distance) C4'-P energy: -133.204 bonds (distance) P-C4' energy: -138.357 flat angles C4'-P-C4' energy: -142.827 flat angles P-C4'-P energy: -115.268 tors. eta vs tors. theta energy: -137.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1655.300612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.300612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.300612 (E_RNA) where: Base-Base interactions energy: -1036.794 where: short stacking energy: -477.872 Base-Backbone interact. energy: -2.723 local terms energy: -615.784109 where: bonds (distance) C4'-P energy: -138.931 bonds (distance) P-C4' energy: -134.524 flat angles C4'-P-C4' energy: -125.967 flat angles P-C4'-P energy: -94.701 tors. eta vs tors. theta energy: -121.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1448.987304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.987304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.987304 (E_RNA) where: Base-Base interactions energy: -862.868 where: short stacking energy: -400.807 Base-Backbone interact. energy: 10.296 local terms energy: -596.415293 where: bonds (distance) C4'-P energy: -162.456 bonds (distance) P-C4' energy: -148.228 flat angles C4'-P-C4' energy: -133.782 flat angles P-C4'-P energy: -69.854 tors. eta vs tors. theta energy: -82.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1085.390512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.390512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.390512 (E_RNA) where: Base-Base interactions energy: -596.456 where: short stacking energy: -308.451 Base-Backbone interact. energy: 0.751 local terms energy: -489.685468 where: bonds (distance) C4'-P energy: -135.105 bonds (distance) P-C4' energy: -144.976 flat angles C4'-P-C4' energy: -120.505 flat angles P-C4'-P energy: -77.986 tors. eta vs tors. theta energy: -11.113 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: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -762.076181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.076181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.076181 (E_RNA) where: Base-Base interactions energy: -320.780 where: short stacking energy: -221.463 Base-Backbone interact. energy: -1.820 local terms energy: -439.476177 where: bonds (distance) C4'-P energy: -142.522 bonds (distance) P-C4' energy: -139.693 flat angles C4'-P-C4' energy: -107.364 flat angles P-C4'-P energy: -59.807 tors. eta vs tors. theta energy: 9.911 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: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2988.854998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.854998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.854998 (E_RNA) where: Base-Base interactions energy: -2047.862 where: short stacking energy: -874.451 Base-Backbone interact. energy: -4.860 local terms energy: -936.133411 where: bonds (distance) C4'-P energy: -164.452 bonds (distance) P-C4' energy: -170.024 flat angles C4'-P-C4' energy: -202.522 flat angles P-C4'-P energy: -124.850 tors. eta vs tors. theta energy: -274.286 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: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2757.164839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.164839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.164839 (E_RNA) where: Base-Base interactions energy: -1876.506 where: short stacking energy: -794.812 Base-Backbone interact. energy: -2.899 local terms energy: -877.758857 where: bonds (distance) C4'-P energy: -156.508 bonds (distance) P-C4' energy: -170.683 flat angles C4'-P-C4' energy: -192.960 flat angles P-C4'-P energy: -113.990 tors. eta vs tors. theta energy: -243.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2679.361194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.361194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.361194 (E_RNA) where: Base-Base interactions energy: -1834.140 where: short stacking energy: -779.746 Base-Backbone interact. energy: -2.561 local terms energy: -842.660075 where: bonds (distance) C4'-P energy: -158.354 bonds (distance) P-C4' energy: -151.333 flat angles C4'-P-C4' energy: -189.554 flat angles P-C4'-P energy: -112.873 tors. eta vs tors. theta energy: -230.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2550.860941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.860941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.860941 (E_RNA) where: Base-Base interactions energy: -1719.003 where: short stacking energy: -750.205 Base-Backbone interact. energy: 1.149 local terms energy: -833.007090 where: bonds (distance) C4'-P energy: -141.092 bonds (distance) P-C4' energy: -155.131 flat angles C4'-P-C4' energy: -180.062 flat angles P-C4'-P energy: -122.952 tors. eta vs tors. theta energy: -233.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2300.820291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.820291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.820291 (E_RNA) where: Base-Base interactions energy: -1580.291 where: short stacking energy: -685.262 Base-Backbone interact. energy: -5.409 local terms energy: -715.120687 where: bonds (distance) C4'-P energy: -117.330 bonds (distance) P-C4' energy: -157.300 flat angles C4'-P-C4' energy: -158.641 flat angles P-C4'-P energy: -97.123 tors. eta vs tors. theta energy: -184.726 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: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1918.752429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.752429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.752429 (E_RNA) where: Base-Base interactions energy: -1226.504 where: short stacking energy: -558.231 Base-Backbone interact. energy: -1.209 local terms energy: -691.040140 where: bonds (distance) C4'-P energy: -148.625 bonds (distance) P-C4' energy: -147.564 flat angles C4'-P-C4' energy: -161.198 flat angles P-C4'-P energy: -103.366 tors. eta vs tors. theta energy: -130.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1671.091382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.091382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.091382 (E_RNA) where: Base-Base interactions energy: -1063.964 where: short stacking energy: -449.891 Base-Backbone interact. energy: -3.112 local terms energy: -604.014777 where: bonds (distance) C4'-P energy: -123.699 bonds (distance) P-C4' energy: -158.026 flat angles C4'-P-C4' energy: -138.662 flat angles P-C4'-P energy: -101.692 tors. eta vs tors. theta energy: -81.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1575.957199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.957199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.957199 (E_RNA) where: Base-Base interactions energy: -976.217 where: short stacking energy: -453.803 Base-Backbone interact. energy: -2.429 local terms energy: -597.311082 where: bonds (distance) C4'-P energy: -134.014 bonds (distance) P-C4' energy: -137.657 flat angles C4'-P-C4' energy: -154.730 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -104.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1112.172622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.172622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.172622 (E_RNA) where: Base-Base interactions energy: -642.619 where: short stacking energy: -307.415 Base-Backbone interact. energy: -0.298 local terms energy: -469.255894 where: bonds (distance) C4'-P energy: -125.943 bonds (distance) P-C4' energy: -137.467 flat angles C4'-P-C4' energy: -119.486 flat angles P-C4'-P energy: -61.977 tors. eta vs tors. theta energy: -24.383 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: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -735.872493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.872493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.872493 (E_RNA) where: Base-Base interactions energy: -280.717 where: short stacking energy: -197.740 Base-Backbone interact. energy: -1.332 local terms energy: -453.822816 where: bonds (distance) C4'-P energy: -141.786 bonds (distance) P-C4' energy: -141.035 flat angles C4'-P-C4' energy: -125.720 flat angles P-C4'-P energy: -68.218 tors. eta vs tors. theta energy: 22.937 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: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2954.113391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.113391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.113391 (E_RNA) where: Base-Base interactions energy: -2031.359 where: short stacking energy: -843.646 Base-Backbone interact. energy: -4.518 local terms energy: -918.236039 where: bonds (distance) C4'-P energy: -166.125 bonds (distance) P-C4' energy: -162.781 flat angles C4'-P-C4' energy: -202.898 flat angles P-C4'-P energy: -127.187 tors. eta vs tors. theta energy: -259.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2789.138953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.138953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.138953 (E_RNA) where: Base-Base interactions energy: -1897.204 where: short stacking energy: -832.598 Base-Backbone interact. energy: -5.397 local terms energy: -886.538281 where: bonds (distance) C4'-P energy: -159.117 bonds (distance) P-C4' energy: -173.656 flat angles C4'-P-C4' energy: -181.820 flat angles P-C4'-P energy: -115.831 tors. eta vs tors. theta energy: -256.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2675.805238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.805238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.805238 (E_RNA) where: Base-Base interactions energy: -1824.176 where: short stacking energy: -744.563 Base-Backbone interact. energy: -3.782 local terms energy: -847.846804 where: bonds (distance) C4'-P energy: -158.431 bonds (distance) P-C4' energy: -167.415 flat angles C4'-P-C4' energy: -182.628 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -230.999 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: 306 Temperature: 1.050000 Total energy: -2556.720551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.720551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.720551 (E_RNA) where: Base-Base interactions energy: -1694.605 where: short stacking energy: -738.679 Base-Backbone interact. energy: -5.155 local terms energy: -856.960992 where: bonds (distance) C4'-P energy: -151.886 bonds (distance) P-C4' energy: -164.629 flat angles C4'-P-C4' energy: -192.948 flat angles P-C4'-P energy: -122.825 tors. eta vs tors. theta energy: -224.672 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: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2300.006865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.006865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.006865 (E_RNA) where: Base-Base interactions energy: -1547.681 where: short stacking energy: -657.513 Base-Backbone interact. energy: -0.900 local terms energy: -751.425742 where: bonds (distance) C4'-P energy: -156.221 bonds (distance) P-C4' energy: -152.375 flat angles C4'-P-C4' energy: -164.834 flat angles P-C4'-P energy: -95.707 tors. eta vs tors. theta energy: -182.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1982.137358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.137358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.137358 (E_RNA) where: Base-Base interactions energy: -1272.811 where: short stacking energy: -561.345 Base-Backbone interact. energy: -2.958 local terms energy: -706.368194 where: bonds (distance) C4'-P energy: -127.802 bonds (distance) P-C4' energy: -160.691 flat angles C4'-P-C4' energy: -166.750 flat angles P-C4'-P energy: -98.793 tors. eta vs tors. theta energy: -152.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1677.090454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.090454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.090454 (E_RNA) where: Base-Base interactions energy: -1075.000 where: short stacking energy: -473.161 Base-Backbone interact. energy: -1.980 local terms energy: -600.111057 where: bonds (distance) C4'-P energy: -134.305 bonds (distance) P-C4' energy: -138.660 flat angles C4'-P-C4' energy: -157.524 flat angles P-C4'-P energy: -87.579 tors. eta vs tors. theta energy: -82.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1534.538585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.538585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.538585 (E_RNA) where: Base-Base interactions energy: -970.229 where: short stacking energy: -430.104 Base-Backbone interact. energy: -1.448 local terms energy: -562.861428 where: bonds (distance) C4'-P energy: -126.702 bonds (distance) P-C4' energy: -145.237 flat angles C4'-P-C4' energy: -132.332 flat angles P-C4'-P energy: -82.360 tors. eta vs tors. theta energy: -76.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1176.051347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.051347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.051347 (E_RNA) where: Base-Base interactions energy: -689.292 where: short stacking energy: -313.804 Base-Backbone interact. energy: 3.338 local terms energy: -490.097494 where: bonds (distance) C4'-P energy: -124.014 bonds (distance) P-C4' energy: -155.164 flat angles C4'-P-C4' energy: -131.344 flat angles P-C4'-P energy: -63.763 tors. eta vs tors. theta energy: -15.813 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: 10, replica: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -748.117493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.117493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.117493 (E_RNA) where: Base-Base interactions energy: -328.278 where: short stacking energy: -203.302 Base-Backbone interact. energy: 2.733 local terms energy: -422.572247 where: bonds (distance) C4'-P energy: -127.190 bonds (distance) P-C4' energy: -142.432 flat angles C4'-P-C4' energy: -120.824 flat angles P-C4'-P energy: -45.506 tors. eta vs tors. theta energy: 13.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2985.616003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.616003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.616003 (E_RNA) where: Base-Base interactions energy: -2077.941 where: short stacking energy: -861.328 Base-Backbone interact. energy: -6.006 local terms energy: -901.668196 where: bonds (distance) C4'-P energy: -157.169 bonds (distance) P-C4' energy: -158.851 flat angles C4'-P-C4' energy: -198.733 flat angles P-C4'-P energy: -123.634 tors. eta vs tors. theta energy: -263.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2773.781676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.781676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.781676 (E_RNA) where: Base-Base interactions energy: -1904.950 where: short stacking energy: -816.560 Base-Backbone interact. energy: -2.763 local terms energy: -866.068721 where: bonds (distance) C4'-P energy: -147.996 bonds (distance) P-C4' energy: -181.874 flat angles C4'-P-C4' energy: -194.643 flat angles P-C4'-P energy: -99.091 tors. eta vs tors. theta energy: -242.465 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: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2649.031418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.031418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.031418 (E_RNA) where: Base-Base interactions energy: -1838.655 where: short stacking energy: -745.451 Base-Backbone interact. energy: 3.916 local terms energy: -814.293030 where: bonds (distance) C4'-P energy: -155.908 bonds (distance) P-C4' energy: -153.320 flat angles C4'-P-C4' energy: -182.295 flat angles P-C4'-P energy: -115.822 tors. eta vs tors. theta energy: -206.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2558.024269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.024269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.024269 (E_RNA) where: Base-Base interactions energy: -1698.595 where: short stacking energy: -737.339 Base-Backbone interact. energy: -2.466 local terms energy: -856.963326 where: bonds (distance) C4'-P energy: -157.681 bonds (distance) P-C4' energy: -159.321 flat angles C4'-P-C4' energy: -186.264 flat angles P-C4'-P energy: -122.563 tors. eta vs tors. theta energy: -231.134 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: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2307.729526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.729526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.729526 (E_RNA) where: Base-Base interactions energy: -1564.182 where: short stacking energy: -644.915 Base-Backbone interact. energy: -3.044 local terms energy: -740.503186 where: bonds (distance) C4'-P energy: -142.875 bonds (distance) P-C4' energy: -160.299 flat angles C4'-P-C4' energy: -176.171 flat angles P-C4'-P energy: -105.644 tors. eta vs tors. theta energy: -155.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2064.748978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.748978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.748978 (E_RNA) where: Base-Base interactions energy: -1375.165 where: short stacking energy: -589.854 Base-Backbone interact. energy: -1.028 local terms energy: -688.555984 where: bonds (distance) C4'-P energy: -120.260 bonds (distance) P-C4' energy: -147.147 flat angles C4'-P-C4' energy: -143.474 flat angles P-C4'-P energy: -114.120 tors. eta vs tors. theta energy: -163.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1743.273806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.273806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.273806 (E_RNA) where: Base-Base interactions energy: -1119.214 where: short stacking energy: -527.648 Base-Backbone interact. energy: -4.155 local terms energy: -619.904745 where: bonds (distance) C4'-P energy: -144.456 bonds (distance) P-C4' energy: -141.061 flat angles C4'-P-C4' energy: -120.525 flat angles P-C4'-P energy: -82.968 tors. eta vs tors. theta energy: -130.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1577.114253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.114253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.114253 (E_RNA) where: Base-Base interactions energy: -999.551 where: short stacking energy: -483.521 Base-Backbone interact. energy: 4.579 local terms energy: -582.141880 where: bonds (distance) C4'-P energy: -136.467 bonds (distance) P-C4' energy: -129.238 flat angles C4'-P-C4' energy: -141.897 flat angles P-C4'-P energy: -83.939 tors. eta vs tors. theta energy: -90.601 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: 307 Temperature: 1.300000 Total energy: -1150.367349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.367349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.367349 (E_RNA) where: Base-Base interactions energy: -665.535 where: short stacking energy: -309.535 Base-Backbone interact. energy: -1.087 local terms energy: -483.745761 where: bonds (distance) C4'-P energy: -118.018 bonds (distance) P-C4' energy: -136.721 flat angles C4'-P-C4' energy: -140.909 flat angles P-C4'-P energy: -85.133 tors. eta vs tors. theta energy: -2.965 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: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -738.174881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.174881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.174881 (E_RNA) where: Base-Base interactions energy: -314.868 where: short stacking energy: -189.105 Base-Backbone interact. energy: -0.225 local terms energy: -423.081353 where: bonds (distance) C4'-P energy: -144.184 bonds (distance) P-C4' energy: -128.807 flat angles C4'-P-C4' energy: -108.551 flat angles P-C4'-P energy: -67.472 tors. eta vs tors. theta energy: 25.932 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: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2937.163272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.163272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.163272 (E_RNA) where: Base-Base interactions energy: -2032.622 where: short stacking energy: -845.566 Base-Backbone interact. energy: 4.062 local terms energy: -908.602771 where: bonds (distance) C4'-P energy: -161.885 bonds (distance) P-C4' energy: -164.884 flat angles C4'-P-C4' energy: -196.845 flat angles P-C4'-P energy: -137.508 tors. eta vs tors. theta energy: -247.480 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: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2773.821735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.821735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.821735 (E_RNA) where: Base-Base interactions energy: -1891.509 where: short stacking energy: -790.092 Base-Backbone interact. energy: -1.617 local terms energy: -880.695808 where: bonds (distance) C4'-P energy: -164.444 bonds (distance) P-C4' energy: -168.972 flat angles C4'-P-C4' energy: -172.316 flat angles P-C4'-P energy: -129.440 tors. eta vs tors. theta energy: -245.523 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: 6 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2700.264039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.264039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.264039 (E_RNA) where: Base-Base interactions energy: -1910.828 where: short stacking energy: -814.344 Base-Backbone interact. energy: -1.681 local terms energy: -787.754524 where: bonds (distance) C4'-P energy: -137.152 bonds (distance) P-C4' energy: -156.243 flat angles C4'-P-C4' energy: -178.571 flat angles P-C4'-P energy: -92.809 tors. eta vs tors. theta energy: -222.980 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: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2582.283674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.283674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.283674 (E_RNA) where: Base-Base interactions energy: -1755.428 where: short stacking energy: -802.287 Base-Backbone interact. energy: -1.344 local terms energy: -825.511047 where: bonds (distance) C4'-P energy: -130.682 bonds (distance) P-C4' energy: -141.712 flat angles C4'-P-C4' energy: -188.092 flat angles P-C4'-P energy: -121.317 tors. eta vs tors. theta energy: -243.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2305.793208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.793208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.793208 (E_RNA) where: Base-Base interactions energy: -1579.559 where: short stacking energy: -669.648 Base-Backbone interact. energy: 1.366 local terms energy: -727.599718 where: bonds (distance) C4'-P energy: -136.561 bonds (distance) P-C4' energy: -134.009 flat angles C4'-P-C4' energy: -168.002 flat angles P-C4'-P energy: -108.598 tors. eta vs tors. theta energy: -180.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2018.346547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.346547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.346547 (E_RNA) where: Base-Base interactions energy: -1336.198 where: short stacking energy: -607.191 Base-Backbone interact. energy: 1.008 local terms energy: -683.156244 where: bonds (distance) C4'-P energy: -138.079 bonds (distance) P-C4' energy: -140.819 flat angles C4'-P-C4' energy: -162.891 flat angles P-C4'-P energy: -93.816 tors. eta vs tors. theta energy: -147.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1679.301453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.301453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.301453 (E_RNA) where: Base-Base interactions energy: -1022.711 where: short stacking energy: -483.019 Base-Backbone interact. energy: -0.770 local terms energy: -655.820981 where: bonds (distance) C4'-P energy: -155.945 bonds (distance) P-C4' energy: -156.984 flat angles C4'-P-C4' energy: -140.069 flat angles P-C4'-P energy: -90.269 tors. eta vs tors. theta energy: -112.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1556.224641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.224641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.224641 (E_RNA) where: Base-Base interactions energy: -996.949 where: short stacking energy: -427.519 Base-Backbone interact. energy: 2.975 local terms energy: -562.251035 where: bonds (distance) C4'-P energy: -131.255 bonds (distance) P-C4' energy: -147.886 flat angles C4'-P-C4' energy: -126.144 flat angles P-C4'-P energy: -90.767 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: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1137.257710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.257710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.257710 (E_RNA) where: Base-Base interactions energy: -671.263 where: short stacking energy: -333.704 Base-Backbone interact. energy: -0.440 local terms energy: -465.554445 where: bonds (distance) C4'-P energy: -134.230 bonds (distance) P-C4' energy: -109.682 flat angles C4'-P-C4' energy: -103.450 flat angles P-C4'-P energy: -83.070 tors. eta vs tors. theta energy: -35.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -752.765367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.765367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.765367 (E_RNA) where: Base-Base interactions energy: -304.191 where: short stacking energy: -187.521 Base-Backbone interact. energy: -1.600 local terms energy: -446.974443 where: bonds (distance) C4'-P energy: -121.788 bonds (distance) P-C4' energy: -153.373 flat angles C4'-P-C4' energy: -137.183 flat angles P-C4'-P energy: -55.093 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: 1, replica: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2914.372841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.372841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.372841 (E_RNA) where: Base-Base interactions energy: -2003.062 where: short stacking energy: -821.377 Base-Backbone interact. energy: -2.111 local terms energy: -909.199231 where: bonds (distance) C4'-P energy: -169.414 bonds (distance) P-C4' energy: -178.119 flat angles C4'-P-C4' energy: -189.796 flat angles P-C4'-P energy: -121.539 tors. eta vs tors. theta energy: -250.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2793.508432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.508432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.508432 (E_RNA) where: Base-Base interactions energy: -1895.640 where: short stacking energy: -814.108 Base-Backbone interact. energy: -6.455 local terms energy: -891.413718 where: bonds (distance) C4'-P energy: -158.421 bonds (distance) P-C4' energy: -149.367 flat angles C4'-P-C4' energy: -205.891 flat angles P-C4'-P energy: -128.595 tors. eta vs tors. theta energy: -249.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2717.431574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.431574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.431574 (E_RNA) where: Base-Base interactions energy: -1902.665 where: short stacking energy: -782.900 Base-Backbone interact. energy: -0.787 local terms energy: -813.979837 where: bonds (distance) C4'-P energy: -137.780 bonds (distance) P-C4' energy: -153.730 flat angles C4'-P-C4' energy: -187.165 flat angles P-C4'-P energy: -116.491 tors. eta vs tors. theta energy: -218.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2595.208913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.208913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.208913 (E_RNA) where: Base-Base interactions energy: -1755.805 where: short stacking energy: -759.311 Base-Backbone interact. energy: -4.449 local terms energy: -834.955312 where: bonds (distance) C4'-P energy: -149.701 bonds (distance) P-C4' energy: -163.379 flat angles C4'-P-C4' energy: -182.531 flat angles P-C4'-P energy: -102.258 tors. eta vs tors. theta energy: -237.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2338.485020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.485020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.485020 (E_RNA) where: Base-Base interactions energy: -1595.148 where: short stacking energy: -694.464 Base-Backbone interact. energy: -2.440 local terms energy: -740.897083 where: bonds (distance) C4'-P energy: -152.106 bonds (distance) P-C4' energy: -133.997 flat angles C4'-P-C4' energy: -171.849 flat angles P-C4'-P energy: -81.131 tors. eta vs tors. theta energy: -201.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2001.996429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.996429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.996429 (E_RNA) where: Base-Base interactions energy: -1310.656 where: short stacking energy: -568.824 Base-Backbone interact. energy: 3.863 local terms energy: -695.203356 where: bonds (distance) C4'-P energy: -148.316 bonds (distance) P-C4' energy: -143.593 flat angles C4'-P-C4' energy: -160.225 flat angles P-C4'-P energy: -97.636 tors. eta vs tors. theta energy: -145.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1616.248717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.248717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.248717 (E_RNA) where: Base-Base interactions energy: -1017.495 where: short stacking energy: -484.988 Base-Backbone interact. energy: -3.510 local terms energy: -595.244072 where: bonds (distance) C4'-P energy: -129.294 bonds (distance) P-C4' energy: -137.682 flat angles C4'-P-C4' energy: -145.342 flat angles P-C4'-P energy: -76.417 tors. eta vs tors. theta energy: -106.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1557.056923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.056923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.056923 (E_RNA) where: Base-Base interactions energy: -978.835 where: short stacking energy: -440.860 Base-Backbone interact. energy: 2.524 local terms energy: -580.745323 where: bonds (distance) C4'-P energy: -134.973 bonds (distance) P-C4' energy: -138.140 flat angles C4'-P-C4' energy: -140.554 flat angles P-C4'-P energy: -75.974 tors. eta vs tors. theta energy: -91.105 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: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1160.934690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.934690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.934690 (E_RNA) where: Base-Base interactions energy: -657.055 where: short stacking energy: -330.176 Base-Backbone interact. energy: -3.032 local terms energy: -500.847928 where: bonds (distance) C4'-P energy: -134.811 bonds (distance) P-C4' energy: -126.365 flat angles C4'-P-C4' energy: -141.014 flat angles P-C4'-P energy: -70.703 tors. eta vs tors. theta energy: -27.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -760.100488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.100488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.100488 (E_RNA) where: Base-Base interactions energy: -338.321 where: short stacking energy: -215.458 Base-Backbone interact. energy: 0.649 local terms energy: -422.428459 where: bonds (distance) C4'-P energy: -127.454 bonds (distance) P-C4' energy: -123.484 flat angles C4'-P-C4' energy: -111.446 flat angles P-C4'-P energy: -77.454 tors. eta vs tors. theta energy: 17.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2920.908954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.908954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.908954 (E_RNA) where: Base-Base interactions energy: -2004.150 where: short stacking energy: -835.653 Base-Backbone interact. energy: -0.537 local terms energy: -916.221979 where: bonds (distance) C4'-P energy: -172.741 bonds (distance) P-C4' energy: -164.102 flat angles C4'-P-C4' energy: -188.178 flat angles P-C4'-P energy: -135.384 tors. eta vs tors. theta energy: -255.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2801.663470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.663470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.663470 (E_RNA) where: Base-Base interactions energy: -1899.071 where: short stacking energy: -798.775 Base-Backbone interact. energy: -8.749 local terms energy: -893.843073 where: bonds (distance) C4'-P energy: -157.428 bonds (distance) P-C4' energy: -166.726 flat angles C4'-P-C4' energy: -192.610 flat angles P-C4'-P energy: -116.513 tors. eta vs tors. theta energy: -260.566 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: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2716.369352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.369352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.369352 (E_RNA) where: Base-Base interactions energy: -1899.980 where: short stacking energy: -762.482 Base-Backbone interact. energy: -2.224 local terms energy: -814.165534 where: bonds (distance) C4'-P energy: -155.982 bonds (distance) P-C4' energy: -155.291 flat angles C4'-P-C4' energy: -173.402 flat angles P-C4'-P energy: -123.017 tors. eta vs tors. theta energy: -206.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2560.442031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.442031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.442031 (E_RNA) where: Base-Base interactions energy: -1737.940 where: short stacking energy: -768.829 Base-Backbone interact. energy: 2.215 local terms energy: -824.717210 where: bonds (distance) C4'-P energy: -153.253 bonds (distance) P-C4' energy: -150.062 flat angles C4'-P-C4' energy: -185.712 flat angles P-C4'-P energy: -108.214 tors. eta vs tors. theta energy: -227.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2331.038691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.038691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.038691 (E_RNA) where: Base-Base interactions energy: -1557.980 where: short stacking energy: -658.712 Base-Backbone interact. energy: 0.033 local terms energy: -773.091209 where: bonds (distance) C4'-P energy: -142.691 bonds (distance) P-C4' energy: -155.815 flat angles C4'-P-C4' energy: -180.871 flat angles P-C4'-P energy: -113.096 tors. eta vs tors. theta energy: -180.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1971.901919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.901919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.901919 (E_RNA) where: Base-Base interactions energy: -1258.323 where: short stacking energy: -557.144 Base-Backbone interact. energy: 1.616 local terms energy: -715.195263 where: bonds (distance) C4'-P energy: -152.853 bonds (distance) P-C4' energy: -162.130 flat angles C4'-P-C4' energy: -158.047 flat angles P-C4'-P energy: -107.403 tors. eta vs tors. theta energy: -134.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1676.127045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.127045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.127045 (E_RNA) where: Base-Base interactions energy: -1060.517 where: short stacking energy: -513.254 Base-Backbone interact. energy: -0.635 local terms energy: -614.975197 where: bonds (distance) C4'-P energy: -135.576 bonds (distance) P-C4' energy: -120.179 flat angles C4'-P-C4' energy: -145.949 flat angles P-C4'-P energy: -87.562 tors. eta vs tors. theta energy: -125.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1575.748179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.748179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.748179 (E_RNA) where: Base-Base interactions energy: -992.700 where: short stacking energy: -431.937 Base-Backbone interact. energy: -0.520 local terms energy: -582.527787 where: bonds (distance) C4'-P energy: -123.419 bonds (distance) P-C4' energy: -151.065 flat angles C4'-P-C4' energy: -158.687 flat angles P-C4'-P energy: -69.490 tors. eta vs tors. theta energy: -79.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1136.529898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.529898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.529898 (E_RNA) where: Base-Base interactions energy: -629.975 where: short stacking energy: -291.284 Base-Backbone interact. energy: -0.501 local terms energy: -506.053729 where: bonds (distance) C4'-P energy: -122.407 bonds (distance) P-C4' energy: -150.383 flat angles C4'-P-C4' energy: -134.258 flat angles P-C4'-P energy: -91.688 tors. eta vs tors. theta energy: -7.318 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: 10, replica: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -776.391645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.391645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.391645 (E_RNA) where: Base-Base interactions energy: -347.283 where: short stacking energy: -218.782 Base-Backbone interact. energy: -2.838 local terms energy: -426.271097 where: bonds (distance) C4'-P energy: -126.970 bonds (distance) P-C4' energy: -146.098 flat angles C4'-P-C4' energy: -89.612 flat angles P-C4'-P energy: -84.569 tors. eta vs tors. theta energy: 20.977 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: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2922.749963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.749963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.749963 (E_RNA) where: Base-Base interactions energy: -1993.230 where: short stacking energy: -857.947 Base-Backbone interact. energy: -2.936 local terms energy: -926.583908 where: bonds (distance) C4'-P energy: -146.769 bonds (distance) P-C4' energy: -173.716 flat angles C4'-P-C4' energy: -203.670 flat angles P-C4'-P energy: -131.771 tors. eta vs tors. theta energy: -270.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2733.980847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.980847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.980847 (E_RNA) where: Base-Base interactions energy: -1894.743 where: short stacking energy: -770.048 Base-Backbone interact. energy: -3.894 local terms energy: -835.344414 where: bonds (distance) C4'-P energy: -155.395 bonds (distance) P-C4' energy: -171.968 flat angles C4'-P-C4' energy: -172.316 flat angles P-C4'-P energy: -114.771 tors. eta vs tors. theta energy: -220.894 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: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2714.386549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.386549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.386549 (E_RNA) where: Base-Base interactions energy: -1892.735 where: short stacking energy: -797.346 Base-Backbone interact. energy: 3.500 local terms energy: -825.151528 where: bonds (distance) C4'-P energy: -138.540 bonds (distance) P-C4' energy: -152.610 flat angles C4'-P-C4' energy: -186.222 flat angles P-C4'-P energy: -108.381 tors. eta vs tors. theta energy: -239.399 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: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2606.914529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.914529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.914529 (E_RNA) where: Base-Base interactions energy: -1770.748 where: short stacking energy: -786.401 Base-Backbone interact. energy: -3.465 local terms energy: -832.701390 where: bonds (distance) C4'-P energy: -146.323 bonds (distance) P-C4' energy: -163.468 flat angles C4'-P-C4' energy: -167.193 flat angles P-C4'-P energy: -115.595 tors. eta vs tors. theta energy: -240.122 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: 5, replica: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2372.330756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.330756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.330756 (E_RNA) where: Base-Base interactions energy: -1617.396 where: short stacking energy: -708.976 Base-Backbone interact. energy: -2.470 local terms energy: -752.464013 where: bonds (distance) C4'-P energy: -142.783 bonds (distance) P-C4' energy: -138.129 flat angles C4'-P-C4' energy: -173.730 flat angles P-C4'-P energy: -97.637 tors. eta vs tors. theta energy: -200.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2055.050650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.050650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.050650 (E_RNA) where: Base-Base interactions energy: -1336.943 where: short stacking energy: -594.834 Base-Backbone interact. energy: -1.421 local terms energy: -716.686935 where: bonds (distance) C4'-P energy: -141.020 bonds (distance) P-C4' energy: -139.647 flat angles C4'-P-C4' energy: -155.514 flat angles P-C4'-P energy: -111.252 tors. eta vs tors. theta energy: -169.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1707.335913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.335913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.335913 (E_RNA) where: Base-Base interactions energy: -1101.990 where: short stacking energy: -459.327 Base-Backbone interact. energy: -5.339 local terms energy: -600.006849 where: bonds (distance) C4'-P energy: -145.991 bonds (distance) P-C4' energy: -136.521 flat angles C4'-P-C4' energy: -136.319 flat angles P-C4'-P energy: -83.033 tors. eta vs tors. theta energy: -98.143 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: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1588.040731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.040731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.040731 (E_RNA) where: Base-Base interactions energy: -996.632 where: short stacking energy: -436.007 Base-Backbone interact. energy: 5.052 local terms energy: -596.461386 where: bonds (distance) C4'-P energy: -127.030 bonds (distance) P-C4' energy: -155.209 flat angles C4'-P-C4' energy: -137.725 flat angles P-C4'-P energy: -96.776 tors. eta vs tors. theta energy: -79.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1138.273185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.273185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.273185 (E_RNA) where: Base-Base interactions energy: -634.340 where: short stacking energy: -335.281 Base-Backbone interact. energy: -3.376 local terms energy: -500.557519 where: bonds (distance) C4'-P energy: -132.085 bonds (distance) P-C4' energy: -132.183 flat angles C4'-P-C4' energy: -133.491 flat angles P-C4'-P energy: -70.137 tors. eta vs tors. theta energy: -32.661 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: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -739.082219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.082219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.082219 (E_RNA) where: Base-Base interactions energy: -337.332 where: short stacking energy: -217.485 Base-Backbone interact. energy: 0.869 local terms energy: -402.619106 where: bonds (distance) C4'-P energy: -137.793 bonds (distance) P-C4' energy: -147.050 flat angles C4'-P-C4' energy: -85.774 flat angles P-C4'-P energy: -77.431 tors. eta vs tors. theta energy: 45.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2906.814014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.814014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.814014 (E_RNA) where: Base-Base interactions energy: -2008.943 where: short stacking energy: -848.554 Base-Backbone interact. energy: -5.068 local terms energy: -892.803078 where: bonds (distance) C4'-P energy: -163.824 bonds (distance) P-C4' energy: -167.841 flat angles C4'-P-C4' energy: -185.149 flat angles P-C4'-P energy: -114.889 tors. eta vs tors. theta energy: -261.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2732.514589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.514589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.514589 (E_RNA) where: Base-Base interactions energy: -1906.411 where: short stacking energy: -793.918 Base-Backbone interact. energy: -4.434 local terms energy: -821.669388 where: bonds (distance) C4'-P energy: -147.917 bonds (distance) P-C4' energy: -168.695 flat angles C4'-P-C4' energy: -185.836 flat angles P-C4'-P energy: -107.191 tors. eta vs tors. theta energy: -212.030 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: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2726.346266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.346266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.346266 (E_RNA) where: Base-Base interactions energy: -1892.786 where: short stacking energy: -803.320 Base-Backbone interact. energy: -3.252 local terms energy: -830.307485 where: bonds (distance) C4'-P energy: -151.746 bonds (distance) P-C4' energy: -145.598 flat angles C4'-P-C4' energy: -189.512 flat angles P-C4'-P energy: -99.997 tors. eta vs tors. theta energy: -243.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2660.914255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.914255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.914255 (E_RNA) where: Base-Base interactions energy: -1805.958 where: short stacking energy: -790.499 Base-Backbone interact. energy: -2.402 local terms energy: -852.554357 where: bonds (distance) C4'-P energy: -147.546 bonds (distance) P-C4' energy: -162.070 flat angles C4'-P-C4' energy: -185.121 flat angles P-C4'-P energy: -119.950 tors. eta vs tors. theta energy: -237.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2365.118214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.118214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.118214 (E_RNA) where: Base-Base interactions energy: -1617.749 where: short stacking energy: -672.629 Base-Backbone interact. energy: -5.461 local terms energy: -741.908384 where: bonds (distance) C4'-P energy: -150.308 bonds (distance) P-C4' energy: -142.855 flat angles C4'-P-C4' energy: -164.171 flat angles P-C4'-P energy: -98.101 tors. eta vs tors. theta energy: -186.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2003.501476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.501476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.501476 (E_RNA) where: Base-Base interactions energy: -1323.251 where: short stacking energy: -589.229 Base-Backbone interact. energy: -2.282 local terms energy: -677.968205 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -144.835 flat angles C4'-P-C4' energy: -157.139 flat angles P-C4'-P energy: -100.255 tors. eta vs tors. theta energy: -150.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1737.741701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.741701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.741701 (E_RNA) where: Base-Base interactions energy: -1121.212 where: short stacking energy: -524.822 Base-Backbone interact. energy: 4.681 local terms energy: -621.210401 where: bonds (distance) C4'-P energy: -136.679 bonds (distance) P-C4' energy: -147.744 flat angles C4'-P-C4' energy: -133.104 flat angles P-C4'-P energy: -88.242 tors. eta vs tors. theta energy: -115.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1523.669942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.669942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.669942 (E_RNA) where: Base-Base interactions energy: -924.596 where: short stacking energy: -399.062 Base-Backbone interact. energy: -2.240 local terms energy: -596.833781 where: bonds (distance) C4'-P energy: -145.526 bonds (distance) P-C4' energy: -159.925 flat angles C4'-P-C4' energy: -129.181 flat angles P-C4'-P energy: -90.594 tors. eta vs tors. theta energy: -71.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1177.315809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.315809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.315809 (E_RNA) where: Base-Base interactions energy: -674.386 where: short stacking energy: -333.644 Base-Backbone interact. energy: 4.879 local terms energy: -507.808971 where: bonds (distance) C4'-P energy: -116.755 bonds (distance) P-C4' energy: -130.020 flat angles C4'-P-C4' energy: -136.232 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -29.166 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: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -756.607795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.607795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.607795 (E_RNA) where: Base-Base interactions energy: -321.038 where: short stacking energy: -194.785 Base-Backbone interact. energy: -0.450 local terms energy: -435.120484 where: bonds (distance) C4'-P energy: -135.763 bonds (distance) P-C4' energy: -133.013 flat angles C4'-P-C4' energy: -132.402 flat angles P-C4'-P energy: -55.742 tors. eta vs tors. theta energy: 21.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2914.005980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.005980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.005980 (E_RNA) where: Base-Base interactions energy: -1970.853 where: short stacking energy: -872.587 Base-Backbone interact. energy: -1.787 local terms energy: -941.366556 where: bonds (distance) C4'-P energy: -154.736 bonds (distance) P-C4' energy: -169.234 flat angles C4'-P-C4' energy: -200.091 flat angles P-C4'-P energy: -142.542 tors. eta vs tors. theta energy: -274.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2732.264598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.264598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.264598 (E_RNA) where: Base-Base interactions energy: -1864.704 where: short stacking energy: -783.859 Base-Backbone interact. energy: -2.193 local terms energy: -865.367634 where: bonds (distance) C4'-P energy: -167.214 bonds (distance) P-C4' energy: -151.693 flat angles C4'-P-C4' energy: -192.845 flat angles P-C4'-P energy: -135.498 tors. eta vs tors. theta energy: -218.117 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: 313 Temperature: 1.000000 Total energy: -2708.842782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.842782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.842782 (E_RNA) where: Base-Base interactions energy: -1864.814 where: short stacking energy: -767.933 Base-Backbone interact. energy: -5.167 local terms energy: -838.861679 where: bonds (distance) C4'-P energy: -157.153 bonds (distance) P-C4' energy: -151.870 flat angles C4'-P-C4' energy: -165.447 flat angles P-C4'-P energy: -121.177 tors. eta vs tors. theta energy: -243.215 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: 4, replica: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2637.176665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.176665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.176665 (E_RNA) where: Base-Base interactions energy: -1787.268 where: short stacking energy: -762.211 Base-Backbone interact. energy: -1.655 local terms energy: -848.253463 where: bonds (distance) C4'-P energy: -157.195 bonds (distance) P-C4' energy: -152.801 flat angles C4'-P-C4' energy: -184.473 flat angles P-C4'-P energy: -118.137 tors. eta vs tors. theta energy: -235.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2296.601023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.601023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.601023 (E_RNA) where: Base-Base interactions energy: -1552.384 where: short stacking energy: -697.816 Base-Backbone interact. energy: -3.290 local terms energy: -740.926598 where: bonds (distance) C4'-P energy: -139.985 bonds (distance) P-C4' energy: -138.872 flat angles C4'-P-C4' energy: -167.512 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -194.334 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: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1953.081832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.081832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.081832 (E_RNA) where: Base-Base interactions energy: -1270.513 where: short stacking energy: -599.392 Base-Backbone interact. energy: -2.519 local terms energy: -680.050042 where: bonds (distance) C4'-P energy: -153.602 bonds (distance) P-C4' energy: -152.874 flat angles C4'-P-C4' energy: -135.952 flat angles P-C4'-P energy: -99.847 tors. eta vs tors. theta energy: -137.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1706.198174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.198174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.198174 (E_RNA) where: Base-Base interactions energy: -1079.761 where: short stacking energy: -492.516 Base-Backbone interact. energy: -3.496 local terms energy: -622.942014 where: bonds (distance) C4'-P energy: -140.628 bonds (distance) P-C4' energy: -132.900 flat angles C4'-P-C4' energy: -151.683 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -117.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1584.036675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.036675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.036675 (E_RNA) where: Base-Base interactions energy: -990.209 where: short stacking energy: -456.728 Base-Backbone interact. energy: -3.067 local terms energy: -590.761047 where: bonds (distance) C4'-P energy: -122.138 bonds (distance) P-C4' energy: -149.731 flat angles C4'-P-C4' energy: -149.822 flat angles P-C4'-P energy: -79.078 tors. eta vs tors. theta energy: -89.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1133.413729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.413729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.413729 (E_RNA) where: Base-Base interactions energy: -596.920 where: short stacking energy: -303.753 Base-Backbone interact. energy: 0.026 local terms energy: -536.519489 where: bonds (distance) C4'-P energy: -116.773 bonds (distance) P-C4' energy: -163.731 flat angles C4'-P-C4' energy: -132.473 flat angles P-C4'-P energy: -90.458 tors. eta vs tors. theta energy: -33.085 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: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -801.040781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.040781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.040781 (E_RNA) where: Base-Base interactions energy: -348.155 where: short stacking energy: -201.920 Base-Backbone interact. energy: -1.086 local terms energy: -451.800279 where: bonds (distance) C4'-P energy: -152.105 bonds (distance) P-C4' energy: -151.748 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -56.226 tors. eta vs tors. theta energy: 21.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2905.631262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.631262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.631262 (E_RNA) where: Base-Base interactions energy: -1986.162 where: short stacking energy: -864.649 Base-Backbone interact. energy: -2.973 local terms energy: -916.496511 where: bonds (distance) C4'-P energy: -164.300 bonds (distance) P-C4' energy: -163.956 flat angles C4'-P-C4' energy: -186.594 flat angles P-C4'-P energy: -133.662 tors. eta vs tors. theta energy: -267.985 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: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2752.256639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.256639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.256639 (E_RNA) where: Base-Base interactions energy: -1901.600 where: short stacking energy: -784.300 Base-Backbone interact. energy: 6.908 local terms energy: -857.564110 where: bonds (distance) C4'-P energy: -153.118 bonds (distance) P-C4' energy: -167.540 flat angles C4'-P-C4' energy: -194.063 flat angles P-C4'-P energy: -121.242 tors. eta vs tors. theta energy: -221.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2722.028250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.028250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.028250 (E_RNA) where: Base-Base interactions energy: -1864.772 where: short stacking energy: -817.792 Base-Backbone interact. energy: -3.209 local terms energy: -854.047132 where: bonds (distance) C4'-P energy: -143.558 bonds (distance) P-C4' energy: -161.367 flat angles C4'-P-C4' energy: -180.303 flat angles P-C4'-P energy: -116.426 tors. eta vs tors. theta energy: -252.393 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: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2614.104886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.104886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.104886 (E_RNA) where: Base-Base interactions energy: -1811.991 where: short stacking energy: -742.378 Base-Backbone interact. energy: -3.963 local terms energy: -798.150481 where: bonds (distance) C4'-P energy: -143.651 bonds (distance) P-C4' energy: -144.230 flat angles C4'-P-C4' energy: -184.286 flat angles P-C4'-P energy: -102.431 tors. eta vs tors. theta energy: -223.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2294.594242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.594242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.594242 (E_RNA) where: Base-Base interactions energy: -1506.679 where: short stacking energy: -677.787 Base-Backbone interact. energy: -4.366 local terms energy: -783.549794 where: bonds (distance) C4'-P energy: -160.188 bonds (distance) P-C4' energy: -146.199 flat angles C4'-P-C4' energy: -173.656 flat angles P-C4'-P energy: -105.214 tors. eta vs tors. theta energy: -198.293 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: 6, replica: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1961.299183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.299183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.299183 (E_RNA) where: Base-Base interactions energy: -1262.180 where: short stacking energy: -572.857 Base-Backbone interact. energy: 0.079 local terms energy: -699.198974 where: bonds (distance) C4'-P energy: -138.699 bonds (distance) P-C4' energy: -148.618 flat angles C4'-P-C4' energy: -149.199 flat angles P-C4'-P energy: -114.433 tors. eta vs tors. theta energy: -148.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1731.149811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.149811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.149811 (E_RNA) where: Base-Base interactions energy: -1085.221 where: short stacking energy: -490.283 Base-Backbone interact. energy: -3.947 local terms energy: -641.981325 where: bonds (distance) C4'-P energy: -142.379 bonds (distance) P-C4' energy: -153.266 flat angles C4'-P-C4' energy: -132.143 flat angles P-C4'-P energy: -94.320 tors. eta vs tors. theta energy: -119.873 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: 314 Temperature: 1.250000 Total energy: -1555.714209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.714209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.714209 (E_RNA) where: Base-Base interactions energy: -978.948 where: short stacking energy: -450.993 Base-Backbone interact. energy: 4.157 local terms energy: -580.923574 where: bonds (distance) C4'-P energy: -138.833 bonds (distance) P-C4' energy: -135.628 flat angles C4'-P-C4' energy: -132.410 flat angles P-C4'-P energy: -81.644 tors. eta vs tors. theta energy: -92.409 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: 314 Temperature: 1.300000 Total energy: -1184.799002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.799002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.799002 (E_RNA) where: Base-Base interactions energy: -692.615 where: short stacking energy: -327.682 Base-Backbone interact. energy: 0.654 local terms energy: -492.837485 where: bonds (distance) C4'-P energy: -122.325 bonds (distance) P-C4' energy: -133.766 flat angles C4'-P-C4' energy: -133.027 flat angles P-C4'-P energy: -69.263 tors. eta vs tors. theta energy: -34.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -758.484721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.484721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.484721 (E_RNA) where: Base-Base interactions energy: -341.280 where: short stacking energy: -226.560 Base-Backbone interact. energy: -0.021 local terms energy: -417.183208 where: bonds (distance) C4'-P energy: -120.793 bonds (distance) P-C4' energy: -143.136 flat angles C4'-P-C4' energy: -112.797 flat angles P-C4'-P energy: -63.830 tors. eta vs tors. theta energy: 23.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2899.608296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.608296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.608296 (E_RNA) where: Base-Base interactions energy: -1997.643 where: short stacking energy: -836.527 Base-Backbone interact. energy: -0.009 local terms energy: -901.956208 where: bonds (distance) C4'-P energy: -159.614 bonds (distance) P-C4' energy: -179.987 flat angles C4'-P-C4' energy: -183.984 flat angles P-C4'-P energy: -121.839 tors. eta vs tors. theta energy: -256.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2766.632203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.632203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.632203 (E_RNA) where: Base-Base interactions energy: -1900.906 where: short stacking energy: -793.859 Base-Backbone interact. energy: -5.139 local terms energy: -860.588049 where: bonds (distance) C4'-P energy: -157.736 bonds (distance) P-C4' energy: -167.128 flat angles C4'-P-C4' energy: -187.403 flat angles P-C4'-P energy: -124.659 tors. eta vs tors. theta energy: -223.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2730.490406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.490406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.490406 (E_RNA) where: Base-Base interactions energy: -1863.929 where: short stacking energy: -826.183 Base-Backbone interact. energy: 0.606 local terms energy: -867.167460 where: bonds (distance) C4'-P energy: -158.669 bonds (distance) P-C4' energy: -164.115 flat angles C4'-P-C4' energy: -174.394 flat angles P-C4'-P energy: -114.582 tors. eta vs tors. theta energy: -255.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2611.974914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.974914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.974914 (E_RNA) where: Base-Base interactions energy: -1790.869 where: short stacking energy: -772.230 Base-Backbone interact. energy: -0.470 local terms energy: -820.635389 where: bonds (distance) C4'-P energy: -145.671 bonds (distance) P-C4' energy: -167.058 flat angles C4'-P-C4' energy: -164.021 flat angles P-C4'-P energy: -113.625 tors. eta vs tors. theta energy: -230.260 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: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2284.062741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.062741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.062741 (E_RNA) where: Base-Base interactions energy: -1532.495 where: short stacking energy: -679.089 Base-Backbone interact. energy: -3.360 local terms energy: -748.207617 where: bonds (distance) C4'-P energy: -134.368 bonds (distance) P-C4' energy: -148.082 flat angles C4'-P-C4' energy: -182.694 flat angles P-C4'-P energy: -97.948 tors. eta vs tors. theta energy: -185.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1952.713795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.713795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.713795 (E_RNA) where: Base-Base interactions energy: -1248.780 where: short stacking energy: -555.954 Base-Backbone interact. energy: 0.886 local terms energy: -704.819752 where: bonds (distance) C4'-P energy: -156.240 bonds (distance) P-C4' energy: -146.424 flat angles C4'-P-C4' energy: -155.588 flat angles P-C4'-P energy: -92.911 tors. eta vs tors. theta energy: -153.656 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: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1779.523063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.523063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.523063 (E_RNA) where: Base-Base interactions energy: -1119.241 where: short stacking energy: -510.352 Base-Backbone interact. energy: -0.660 local terms energy: -659.622054 where: bonds (distance) C4'-P energy: -138.327 bonds (distance) P-C4' energy: -168.386 flat angles C4'-P-C4' energy: -150.261 flat angles P-C4'-P energy: -73.171 tors. eta vs tors. theta energy: -129.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1571.098780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.098780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.098780 (E_RNA) where: Base-Base interactions energy: -961.094 where: short stacking energy: -437.192 Base-Backbone interact. energy: 1.816 local terms energy: -611.820804 where: bonds (distance) C4'-P energy: -147.252 bonds (distance) P-C4' energy: -134.515 flat angles C4'-P-C4' energy: -140.993 flat angles P-C4'-P energy: -92.312 tors. eta vs tors. theta energy: -96.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1163.554153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.554153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.554153 (E_RNA) where: Base-Base interactions energy: -654.863 where: short stacking energy: -307.883 Base-Backbone interact. energy: 1.950 local terms energy: -510.641880 where: bonds (distance) C4'-P energy: -140.973 bonds (distance) P-C4' energy: -135.082 flat angles C4'-P-C4' energy: -141.445 flat angles P-C4'-P energy: -68.600 tors. eta vs tors. theta energy: -24.541 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: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -731.273570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.273570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.273570 (E_RNA) where: Base-Base interactions energy: -315.325 where: short stacking energy: -203.242 Base-Backbone interact. energy: 4.432 local terms energy: -420.380644 where: bonds (distance) C4'-P energy: -126.831 bonds (distance) P-C4' energy: -148.915 flat angles C4'-P-C4' energy: -115.731 flat angles P-C4'-P energy: -58.336 tors. eta vs tors. theta energy: 29.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2930.575350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.575350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.575350 (E_RNA) where: Base-Base interactions energy: -1978.398 where: short stacking energy: -860.592 Base-Backbone interact. energy: -5.414 local terms energy: -946.763553 where: bonds (distance) C4'-P energy: -173.967 bonds (distance) P-C4' energy: -177.318 flat angles C4'-P-C4' energy: -189.736 flat angles P-C4'-P energy: -144.969 tors. eta vs tors. theta energy: -260.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2776.268149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.268149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.268149 (E_RNA) where: Base-Base interactions energy: -1937.201 where: short stacking energy: -793.411 Base-Backbone interact. energy: -4.921 local terms energy: -834.146326 where: bonds (distance) C4'-P energy: -158.490 bonds (distance) P-C4' energy: -155.833 flat angles C4'-P-C4' energy: -180.711 flat angles P-C4'-P energy: -121.627 tors. eta vs tors. theta energy: -217.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2736.058477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.058477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.058477 (E_RNA) where: Base-Base interactions energy: -1893.787 where: short stacking energy: -803.500 Base-Backbone interact. energy: -2.750 local terms energy: -839.521853 where: bonds (distance) C4'-P energy: -132.522 bonds (distance) P-C4' energy: -164.488 flat angles C4'-P-C4' energy: -184.000 flat angles P-C4'-P energy: -121.455 tors. eta vs tors. theta energy: -237.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2651.223296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.223296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.223296 (E_RNA) where: Base-Base interactions energy: -1848.553 where: short stacking energy: -766.788 Base-Backbone interact. energy: -2.555 local terms energy: -800.114943 where: bonds (distance) C4'-P energy: -152.756 bonds (distance) P-C4' energy: -127.113 flat angles C4'-P-C4' energy: -177.164 flat angles P-C4'-P energy: -111.421 tors. eta vs tors. theta energy: -231.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2283.366307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.366307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.366307 (E_RNA) where: Base-Base interactions energy: -1568.568 where: short stacking energy: -673.728 Base-Backbone interact. energy: -2.128 local terms energy: -712.670517 where: bonds (distance) C4'-P energy: -139.106 bonds (distance) P-C4' energy: -138.973 flat angles C4'-P-C4' energy: -151.043 flat angles P-C4'-P energy: -95.540 tors. eta vs tors. theta energy: -188.007 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: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1867.978500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.978500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.978500 (E_RNA) where: Base-Base interactions energy: -1203.040 where: short stacking energy: -539.778 Base-Backbone interact. energy: -3.296 local terms energy: -661.642638 where: bonds (distance) C4'-P energy: -136.438 bonds (distance) P-C4' energy: -153.147 flat angles C4'-P-C4' energy: -155.547 flat angles P-C4'-P energy: -93.905 tors. eta vs tors. theta energy: -122.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1736.799774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.799774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.799774 (E_RNA) where: Base-Base interactions energy: -1079.561 where: short stacking energy: -504.045 Base-Backbone interact. energy: 1.941 local terms energy: -659.179724 where: bonds (distance) C4'-P energy: -129.316 bonds (distance) P-C4' energy: -164.124 flat angles C4'-P-C4' energy: -166.122 flat angles P-C4'-P energy: -100.173 tors. eta vs tors. theta energy: -99.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1545.924294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.924294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.924294 (E_RNA) where: Base-Base interactions energy: -948.653 where: short stacking energy: -412.312 Base-Backbone interact. energy: 2.266 local terms energy: -599.536742 where: bonds (distance) C4'-P energy: -117.825 bonds (distance) P-C4' energy: -162.887 flat angles C4'-P-C4' energy: -145.893 flat angles P-C4'-P energy: -93.358 tors. eta vs tors. theta energy: -79.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1214.295088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.295088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.295088 (E_RNA) where: Base-Base interactions energy: -726.576 where: short stacking energy: -361.696 Base-Backbone interact. energy: -2.593 local terms energy: -485.126597 where: bonds (distance) C4'-P energy: -116.541 bonds (distance) P-C4' energy: -118.513 flat angles C4'-P-C4' energy: -126.604 flat angles P-C4'-P energy: -88.288 tors. eta vs tors. theta energy: -35.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -741.148143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.148143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.148143 (E_RNA) where: Base-Base interactions energy: -319.930 where: short stacking energy: -210.905 Base-Backbone interact. energy: 0.037 local terms energy: -421.255552 where: bonds (distance) C4'-P energy: -163.389 bonds (distance) P-C4' energy: -120.738 flat angles C4'-P-C4' energy: -83.314 flat angles P-C4'-P energy: -48.544 tors. eta vs tors. theta energy: -5.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2914.227949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.227949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.227949 (E_RNA) where: Base-Base interactions energy: -1977.276 where: short stacking energy: -862.385 Base-Backbone interact. energy: -5.850 local terms energy: -931.101929 where: bonds (distance) C4'-P energy: -170.227 bonds (distance) P-C4' energy: -171.963 flat angles C4'-P-C4' energy: -200.515 flat angles P-C4'-P energy: -127.650 tors. eta vs tors. theta energy: -260.746 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: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2774.200415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.200415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.200415 (E_RNA) where: Base-Base interactions energy: -1910.676 where: short stacking energy: -801.621 Base-Backbone interact. energy: -2.853 local terms energy: -860.670961 where: bonds (distance) C4'-P energy: -160.211 bonds (distance) P-C4' energy: -149.062 flat angles C4'-P-C4' energy: -189.918 flat angles P-C4'-P energy: -123.048 tors. eta vs tors. theta energy: -238.432 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: 317 Temperature: 1.000000 Total energy: -2721.483659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.483659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.483659 (E_RNA) where: Base-Base interactions energy: -1848.403 where: short stacking energy: -780.572 Base-Backbone interact. energy: -3.026 local terms energy: -870.054427 where: bonds (distance) C4'-P energy: -158.613 bonds (distance) P-C4' energy: -165.130 flat angles C4'-P-C4' energy: -185.080 flat angles P-C4'-P energy: -128.157 tors. eta vs tors. theta energy: -233.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2652.708606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.708606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.708606 (E_RNA) where: Base-Base interactions energy: -1839.072 where: short stacking energy: -753.037 Base-Backbone interact. energy: -0.389 local terms energy: -813.247468 where: bonds (distance) C4'-P energy: -132.521 bonds (distance) P-C4' energy: -145.732 flat angles C4'-P-C4' energy: -182.336 flat angles P-C4'-P energy: -114.903 tors. eta vs tors. theta energy: -237.756 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: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2382.750438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.750438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.750438 (E_RNA) where: Base-Base interactions energy: -1643.657 where: short stacking energy: -707.334 Base-Backbone interact. energy: -1.625 local terms energy: -737.468653 where: bonds (distance) C4'-P energy: -141.129 bonds (distance) P-C4' energy: -147.845 flat angles C4'-P-C4' energy: -162.967 flat angles P-C4'-P energy: -88.105 tors. eta vs tors. theta energy: -197.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1927.784206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.784206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.784206 (E_RNA) where: Base-Base interactions energy: -1254.805 where: short stacking energy: -543.779 Base-Backbone interact. energy: 1.326 local terms energy: -674.305244 where: bonds (distance) C4'-P energy: -141.824 bonds (distance) P-C4' energy: -159.690 flat angles C4'-P-C4' energy: -153.557 flat angles P-C4'-P energy: -93.996 tors. eta vs tors. theta energy: -125.238 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: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1799.522772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.522772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.522772 (E_RNA) where: Base-Base interactions energy: -1137.389 where: short stacking energy: -518.924 Base-Backbone interact. energy: -1.686 local terms energy: -660.447565 where: bonds (distance) C4'-P energy: -131.460 bonds (distance) P-C4' energy: -156.214 flat angles C4'-P-C4' energy: -147.057 flat angles P-C4'-P energy: -102.568 tors. eta vs tors. theta energy: -123.149 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: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1546.418895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.418895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.418895 (E_RNA) where: Base-Base interactions energy: -975.398 where: short stacking energy: -458.116 Base-Backbone interact. energy: -0.662 local terms energy: -570.359537 where: bonds (distance) C4'-P energy: -140.932 bonds (distance) P-C4' energy: -111.766 flat angles C4'-P-C4' energy: -146.059 flat angles P-C4'-P energy: -75.043 tors. eta vs tors. theta energy: -96.559 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: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1188.140022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.140022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.140022 (E_RNA) where: Base-Base interactions energy: -716.551 where: short stacking energy: -351.564 Base-Backbone interact. energy: 1.109 local terms energy: -472.697808 where: bonds (distance) C4'-P energy: -139.244 bonds (distance) P-C4' energy: -135.453 flat angles C4'-P-C4' energy: -105.487 flat angles P-C4'-P energy: -42.902 tors. eta vs tors. theta energy: -49.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -749.595781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.595781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.595781 (E_RNA) where: Base-Base interactions energy: -344.204 where: short stacking energy: -215.140 Base-Backbone interact. energy: 2.383 local terms energy: -407.775137 where: bonds (distance) C4'-P energy: -133.247 bonds (distance) P-C4' energy: -133.038 flat angles C4'-P-C4' energy: -85.695 flat angles P-C4'-P energy: -61.328 tors. eta vs tors. theta energy: 5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2905.579258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.579258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.579258 (E_RNA) where: Base-Base interactions energy: -1979.048 where: short stacking energy: -855.896 Base-Backbone interact. energy: -4.978 local terms energy: -921.553568 where: bonds (distance) C4'-P energy: -172.185 bonds (distance) P-C4' energy: -167.631 flat angles C4'-P-C4' energy: -195.151 flat angles P-C4'-P energy: -127.012 tors. eta vs tors. theta energy: -259.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2816.658805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.658805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.658805 (E_RNA) where: Base-Base interactions energy: -1926.825 where: short stacking energy: -778.024 Base-Backbone interact. energy: -3.067 local terms energy: -886.767543 where: bonds (distance) C4'-P energy: -166.521 bonds (distance) P-C4' energy: -171.640 flat angles C4'-P-C4' energy: -185.047 flat angles P-C4'-P energy: -127.604 tors. eta vs tors. theta energy: -235.955 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: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2716.464075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.464075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.464075 (E_RNA) where: Base-Base interactions energy: -1864.594 where: short stacking energy: -813.687 Base-Backbone interact. energy: -1.748 local terms energy: -850.122052 where: bonds (distance) C4'-P energy: -158.674 bonds (distance) P-C4' energy: -164.712 flat angles C4'-P-C4' energy: -175.511 flat angles P-C4'-P energy: -106.172 tors. eta vs tors. theta energy: -245.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2581.319403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.319403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.319403 (E_RNA) where: Base-Base interactions energy: -1752.601 where: short stacking energy: -740.612 Base-Backbone interact. energy: -1.175 local terms energy: -827.542956 where: bonds (distance) C4'-P energy: -153.425 bonds (distance) P-C4' energy: -157.084 flat angles C4'-P-C4' energy: -168.427 flat angles P-C4'-P energy: -119.872 tors. eta vs tors. theta energy: -228.735 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: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2385.265018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.265018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.265018 (E_RNA) where: Base-Base interactions energy: -1624.066 where: short stacking energy: -680.192 Base-Backbone interact. energy: -4.798 local terms energy: -756.400959 where: bonds (distance) C4'-P energy: -136.939 bonds (distance) P-C4' energy: -143.115 flat angles C4'-P-C4' energy: -184.852 flat angles P-C4'-P energy: -101.984 tors. eta vs tors. theta energy: -189.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2005.321278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.321278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.321278 (E_RNA) where: Base-Base interactions energy: -1333.603 where: short stacking energy: -565.548 Base-Backbone interact. energy: 2.436 local terms energy: -674.153563 where: bonds (distance) C4'-P energy: -145.259 bonds (distance) P-C4' energy: -137.718 flat angles C4'-P-C4' energy: -150.755 flat angles P-C4'-P energy: -91.146 tors. eta vs tors. theta energy: -149.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1805.796193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.796193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.796193 (E_RNA) where: Base-Base interactions energy: -1143.031 where: short stacking energy: -498.255 Base-Backbone interact. energy: -0.091 local terms energy: -662.674859 where: bonds (distance) C4'-P energy: -154.127 bonds (distance) P-C4' energy: -153.047 flat angles C4'-P-C4' energy: -136.725 flat angles P-C4'-P energy: -86.216 tors. eta vs tors. theta energy: -132.560 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: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1608.195198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.195198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.195198 (E_RNA) where: Base-Base interactions energy: -1002.182 where: short stacking energy: -453.207 Base-Backbone interact. energy: 0.098 local terms energy: -606.111616 where: bonds (distance) C4'-P energy: -125.594 bonds (distance) P-C4' energy: -140.108 flat angles C4'-P-C4' energy: -118.434 flat angles P-C4'-P energy: -110.458 tors. eta vs tors. theta energy: -111.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1086.872257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.872257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.872257 (E_RNA) where: Base-Base interactions energy: -573.765 where: short stacking energy: -300.015 Base-Backbone interact. energy: -5.871 local terms energy: -507.236050 where: bonds (distance) C4'-P energy: -139.150 bonds (distance) P-C4' energy: -143.633 flat angles C4'-P-C4' energy: -125.257 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -18.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -720.486984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.486984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.486984 (E_RNA) where: Base-Base interactions energy: -273.069 where: short stacking energy: -174.661 Base-Backbone interact. energy: -0.980 local terms energy: -446.437984 where: bonds (distance) C4'-P energy: -126.502 bonds (distance) P-C4' energy: -163.196 flat angles C4'-P-C4' energy: -101.494 flat angles P-C4'-P energy: -62.338 tors. eta vs tors. theta energy: 7.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2939.911697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.911697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.911697 (E_RNA) where: Base-Base interactions energy: -2009.312 where: short stacking energy: -873.685 Base-Backbone interact. energy: -0.939 local terms energy: -929.660717 where: bonds (distance) C4'-P energy: -164.408 bonds (distance) P-C4' energy: -170.579 flat angles C4'-P-C4' energy: -195.461 flat angles P-C4'-P energy: -125.192 tors. eta vs tors. theta energy: -274.019 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: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2800.795316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.795316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.795316 (E_RNA) where: Base-Base interactions energy: -1938.044 where: short stacking energy: -798.000 Base-Backbone interact. energy: 1.004 local terms energy: -863.754778 where: bonds (distance) C4'-P energy: -162.353 bonds (distance) P-C4' energy: -155.219 flat angles C4'-P-C4' energy: -181.778 flat angles P-C4'-P energy: -124.623 tors. eta vs tors. theta energy: -239.782 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: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2711.893983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.893983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.893983 (E_RNA) where: Base-Base interactions energy: -1856.799 where: short stacking energy: -815.039 Base-Backbone interact. energy: 0.399 local terms energy: -855.493866 where: bonds (distance) C4'-P energy: -149.566 bonds (distance) P-C4' energy: -159.734 flat angles C4'-P-C4' energy: -183.492 flat angles P-C4'-P energy: -118.843 tors. eta vs tors. theta energy: -243.860 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: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2568.086707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.086707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.086707 (E_RNA) where: Base-Base interactions energy: -1771.055 where: short stacking energy: -748.542 Base-Backbone interact. energy: -3.640 local terms energy: -793.391248 where: bonds (distance) C4'-P energy: -121.185 bonds (distance) P-C4' energy: -165.134 flat angles C4'-P-C4' energy: -173.153 flat angles P-C4'-P energy: -111.543 tors. eta vs tors. theta energy: -222.377 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: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2354.182132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.182132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.182132 (E_RNA) where: Base-Base interactions energy: -1601.603 where: short stacking energy: -634.898 Base-Backbone interact. energy: 2.446 local terms energy: -755.024912 where: bonds (distance) C4'-P energy: -138.901 bonds (distance) P-C4' energy: -162.517 flat angles C4'-P-C4' energy: -168.088 flat angles P-C4'-P energy: -112.177 tors. eta vs tors. theta energy: -173.343 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: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2035.966196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.966196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.966196 (E_RNA) where: Base-Base interactions energy: -1371.769 where: short stacking energy: -610.762 Base-Backbone interact. energy: 3.967 local terms energy: -668.164713 where: bonds (distance) C4'-P energy: -120.019 bonds (distance) P-C4' energy: -133.432 flat angles C4'-P-C4' energy: -163.471 flat angles P-C4'-P energy: -97.343 tors. eta vs tors. theta energy: -153.900 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: 7, replica: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1795.785416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.785416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.785416 (E_RNA) where: Base-Base interactions energy: -1168.068 where: short stacking energy: -495.531 Base-Backbone interact. energy: -2.510 local terms energy: -625.207329 where: bonds (distance) C4'-P energy: -131.705 bonds (distance) P-C4' energy: -141.528 flat angles C4'-P-C4' energy: -142.443 flat angles P-C4'-P energy: -99.510 tors. eta vs tors. theta energy: -110.021 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: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1613.532771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.532771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.532771 (E_RNA) where: Base-Base interactions energy: -999.670 where: short stacking energy: -435.082 Base-Backbone interact. energy: -6.430 local terms energy: -607.433266 where: bonds (distance) C4'-P energy: -148.886 bonds (distance) P-C4' energy: -150.761 flat angles C4'-P-C4' energy: -140.844 flat angles P-C4'-P energy: -83.861 tors. eta vs tors. theta energy: -83.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1143.842909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.842909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.842909 (E_RNA) where: Base-Base interactions energy: -633.585 where: short stacking energy: -294.393 Base-Backbone interact. energy: 0.025 local terms energy: -510.283136 where: bonds (distance) C4'-P energy: -143.745 bonds (distance) P-C4' energy: -144.301 flat angles C4'-P-C4' energy: -126.602 flat angles P-C4'-P energy: -79.948 tors. eta vs tors. theta energy: -15.686 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: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -697.050454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.050454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.050454 (E_RNA) where: Base-Base interactions energy: -282.509 where: short stacking energy: -179.148 Base-Backbone interact. energy: -3.654 local terms energy: -410.887057 where: bonds (distance) C4'-P energy: -128.350 bonds (distance) P-C4' energy: -135.039 flat angles C4'-P-C4' energy: -104.742 flat angles P-C4'-P energy: -62.331 tors. eta vs tors. theta energy: 19.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2890.495644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.495644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.495644 (E_RNA) where: Base-Base interactions energy: -1992.545 where: short stacking energy: -841.851 Base-Backbone interact. energy: -3.444 local terms energy: -894.505979 where: bonds (distance) C4'-P energy: -169.711 bonds (distance) P-C4' energy: -166.988 flat angles C4'-P-C4' energy: -195.064 flat angles P-C4'-P energy: -113.498 tors. eta vs tors. theta energy: -249.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2789.811370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.811370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.811370 (E_RNA) where: Base-Base interactions energy: -1920.173 where: short stacking energy: -802.795 Base-Backbone interact. energy: -3.171 local terms energy: -866.467152 where: bonds (distance) C4'-P energy: -165.182 bonds (distance) P-C4' energy: -162.118 flat angles C4'-P-C4' energy: -184.360 flat angles P-C4'-P energy: -115.914 tors. eta vs tors. theta energy: -238.893 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: 320 Temperature: 1.000000 Total energy: -2688.858155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.858155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.858155 (E_RNA) where: Base-Base interactions energy: -1829.045 where: short stacking energy: -800.676 Base-Backbone interact. energy: -1.833 local terms energy: -857.980664 where: bonds (distance) C4'-P energy: -159.090 bonds (distance) P-C4' energy: -143.602 flat angles C4'-P-C4' energy: -187.136 flat angles P-C4'-P energy: -124.498 tors. eta vs tors. theta energy: -243.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2647.476671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.476671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.476671 (E_RNA) where: Base-Base interactions energy: -1827.761 where: short stacking energy: -769.242 Base-Backbone interact. energy: -2.039 local terms energy: -817.676734 where: bonds (distance) C4'-P energy: -155.498 bonds (distance) P-C4' energy: -159.289 flat angles C4'-P-C4' energy: -154.327 flat angles P-C4'-P energy: -102.850 tors. eta vs tors. theta energy: -245.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2368.526280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.526280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.526280 (E_RNA) where: Base-Base interactions energy: -1606.451 where: short stacking energy: -688.858 Base-Backbone interact. energy: -3.239 local terms energy: -758.836351 where: bonds (distance) C4'-P energy: -153.679 bonds (distance) P-C4' energy: -148.792 flat angles C4'-P-C4' energy: -164.642 flat angles P-C4'-P energy: -96.249 tors. eta vs tors. theta energy: -195.474 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: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2058.713310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.713310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.713310 (E_RNA) where: Base-Base interactions energy: -1371.665 where: short stacking energy: -615.406 Base-Backbone interact. energy: -0.894 local terms energy: -686.154206 where: bonds (distance) C4'-P energy: -127.548 bonds (distance) P-C4' energy: -137.814 flat angles C4'-P-C4' energy: -154.082 flat angles P-C4'-P energy: -95.011 tors. eta vs tors. theta energy: -171.700 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: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1821.606029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.606029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.606029 (E_RNA) where: Base-Base interactions energy: -1205.142 where: short stacking energy: -502.813 Base-Backbone interact. energy: -3.319 local terms energy: -613.144725 where: bonds (distance) C4'-P energy: -140.856 bonds (distance) P-C4' energy: -129.676 flat angles C4'-P-C4' energy: -136.624 flat angles P-C4'-P energy: -100.221 tors. eta vs tors. theta energy: -105.768 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: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1597.707403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.707403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.707403 (E_RNA) where: Base-Base interactions energy: -1037.321 where: short stacking energy: -462.988 Base-Backbone interact. energy: -0.946 local terms energy: -559.440467 where: bonds (distance) C4'-P energy: -115.790 bonds (distance) P-C4' energy: -133.057 flat angles C4'-P-C4' energy: -135.122 flat angles P-C4'-P energy: -87.189 tors. eta vs tors. theta energy: -88.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1146.097260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.097260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.097260 (E_RNA) where: Base-Base interactions energy: -658.416 where: short stacking energy: -325.482 Base-Backbone interact. energy: 10.996 local terms energy: -498.677759 where: bonds (distance) C4'-P energy: -131.570 bonds (distance) P-C4' energy: -153.539 flat angles C4'-P-C4' energy: -140.132 flat angles P-C4'-P energy: -54.627 tors. eta vs tors. theta energy: -18.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -680.489788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.489788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.489788 (E_RNA) where: Base-Base interactions energy: -278.368 where: short stacking energy: -162.063 Base-Backbone interact. energy: 0.877 local terms energy: -402.998119 where: bonds (distance) C4'-P energy: -134.995 bonds (distance) P-C4' energy: -122.826 flat angles C4'-P-C4' energy: -103.444 flat angles P-C4'-P energy: -70.942 tors. eta vs tors. theta energy: 29.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2902.011342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.011342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.011342 (E_RNA) where: Base-Base interactions energy: -2006.543 where: short stacking energy: -815.547 Base-Backbone interact. energy: -1.252 local terms energy: -894.216593 where: bonds (distance) C4'-P energy: -150.015 bonds (distance) P-C4' energy: -167.522 flat angles C4'-P-C4' energy: -198.784 flat angles P-C4'-P energy: -136.065 tors. eta vs tors. theta energy: -241.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2769.769522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.769522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.769522 (E_RNA) where: Base-Base interactions energy: -1930.118 where: short stacking energy: -804.793 Base-Backbone interact. energy: -2.931 local terms energy: -836.720079 where: bonds (distance) C4'-P energy: -147.538 bonds (distance) P-C4' energy: -149.971 flat angles C4'-P-C4' energy: -191.183 flat angles P-C4'-P energy: -122.441 tors. eta vs tors. theta energy: -225.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2672.962162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.962162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.962162 (E_RNA) where: Base-Base interactions energy: -1805.433 where: short stacking energy: -825.468 Base-Backbone interact. energy: -4.543 local terms energy: -862.986798 where: bonds (distance) C4'-P energy: -152.168 bonds (distance) P-C4' energy: -161.056 flat angles C4'-P-C4' energy: -184.162 flat angles P-C4'-P energy: -123.751 tors. eta vs tors. theta energy: -241.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2614.496000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.496000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.496000 (E_RNA) where: Base-Base interactions energy: -1788.437 where: short stacking energy: -751.438 Base-Backbone interact. energy: 0.183 local terms energy: -826.242089 where: bonds (distance) C4'-P energy: -143.924 bonds (distance) P-C4' energy: -166.296 flat angles C4'-P-C4' energy: -170.050 flat angles P-C4'-P energy: -112.105 tors. eta vs tors. theta energy: -233.867 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: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2422.109657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.109657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.109657 (E_RNA) where: Base-Base interactions energy: -1642.861 where: short stacking energy: -665.804 Base-Backbone interact. energy: -4.804 local terms energy: -774.444444 where: bonds (distance) C4'-P energy: -134.454 bonds (distance) P-C4' energy: -161.798 flat angles C4'-P-C4' energy: -174.851 flat angles P-C4'-P energy: -109.318 tors. eta vs tors. theta energy: -194.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2082.065762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.065762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.065762 (E_RNA) where: Base-Base interactions energy: -1376.524 where: short stacking energy: -612.889 Base-Backbone interact. energy: -2.005 local terms energy: -703.537035 where: bonds (distance) C4'-P energy: -142.562 bonds (distance) P-C4' energy: -143.252 flat angles C4'-P-C4' energy: -168.096 flat angles P-C4'-P energy: -89.925 tors. eta vs tors. theta energy: -159.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1870.907173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.907173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.907173 (E_RNA) where: Base-Base interactions energy: -1224.631 where: short stacking energy: -526.585 Base-Backbone interact. energy: 1.372 local terms energy: -647.648110 where: bonds (distance) C4'-P energy: -153.464 bonds (distance) P-C4' energy: -128.254 flat angles C4'-P-C4' energy: -137.242 flat angles P-C4'-P energy: -113.473 tors. eta vs tors. theta energy: -115.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1597.136974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.136974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.136974 (E_RNA) where: Base-Base interactions energy: -1043.681 where: short stacking energy: -437.455 Base-Backbone interact. energy: 0.649 local terms energy: -554.105668 where: bonds (distance) C4'-P energy: -107.126 bonds (distance) P-C4' energy: -131.864 flat angles C4'-P-C4' energy: -140.270 flat angles P-C4'-P energy: -93.730 tors. eta vs tors. theta energy: -81.116 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: 321 Temperature: 1.300000 Total energy: -1180.817914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.817914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.817914 (E_RNA) where: Base-Base interactions energy: -676.748 where: short stacking energy: -333.964 Base-Backbone interact. energy: 0.427 local terms energy: -504.497146 where: bonds (distance) C4'-P energy: -131.465 bonds (distance) P-C4' energy: -129.606 flat angles C4'-P-C4' energy: -128.821 flat angles P-C4'-P energy: -97.853 tors. eta vs tors. theta energy: -16.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -655.409957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.409957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.409957 (E_RNA) where: Base-Base interactions energy: -232.798 where: short stacking energy: -177.773 Base-Backbone interact. energy: 6.562 local terms energy: -429.173729 where: bonds (distance) C4'-P energy: -148.957 bonds (distance) P-C4' energy: -129.902 flat angles C4'-P-C4' energy: -112.930 flat angles P-C4'-P energy: -52.737 tors. eta vs tors. theta energy: 15.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2911.262726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.262726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.262726 (E_RNA) where: Base-Base interactions energy: -1985.622 where: short stacking energy: -846.409 Base-Backbone interact. energy: -2.665 local terms energy: -922.975767 where: bonds (distance) C4'-P energy: -175.439 bonds (distance) P-C4' energy: -180.278 flat angles C4'-P-C4' energy: -193.174 flat angles P-C4'-P energy: -128.978 tors. eta vs tors. theta energy: -245.107 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: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2787.784483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.784483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.784483 (E_RNA) where: Base-Base interactions energy: -1929.123 where: short stacking energy: -799.762 Base-Backbone interact. energy: -4.017 local terms energy: -854.644807 where: bonds (distance) C4'-P energy: -150.639 bonds (distance) P-C4' energy: -150.415 flat angles C4'-P-C4' energy: -185.458 flat angles P-C4'-P energy: -124.060 tors. eta vs tors. theta energy: -244.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2638.445360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.445360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.445360 (E_RNA) where: Base-Base interactions energy: -1812.346 where: short stacking energy: -828.959 Base-Backbone interact. energy: -0.800 local terms energy: -825.298939 where: bonds (distance) C4'-P energy: -152.919 bonds (distance) P-C4' energy: -160.183 flat angles C4'-P-C4' energy: -174.625 flat angles P-C4'-P energy: -100.268 tors. eta vs tors. theta energy: -237.303 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: 4, replica: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2645.123531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.123531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.123531 (E_RNA) where: Base-Base interactions energy: -1793.368 where: short stacking energy: -782.151 Base-Backbone interact. energy: -2.666 local terms energy: -849.089262 where: bonds (distance) C4'-P energy: -145.825 bonds (distance) P-C4' energy: -148.909 flat angles C4'-P-C4' energy: -190.467 flat angles P-C4'-P energy: -112.827 tors. eta vs tors. theta energy: -251.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2406.802255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.802255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.802255 (E_RNA) where: Base-Base interactions energy: -1638.090 where: short stacking energy: -685.312 Base-Backbone interact. energy: -4.474 local terms energy: -764.238570 where: bonds (distance) C4'-P energy: -133.502 bonds (distance) P-C4' energy: -162.197 flat angles C4'-P-C4' energy: -182.816 flat angles P-C4'-P energy: -103.223 tors. eta vs tors. theta energy: -182.500 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: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2040.880139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.880139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.880139 (E_RNA) where: Base-Base interactions energy: -1369.050 where: short stacking energy: -584.277 Base-Backbone interact. energy: -3.605 local terms energy: -668.225664 where: bonds (distance) C4'-P energy: -140.371 bonds (distance) P-C4' energy: -142.762 flat angles C4'-P-C4' energy: -149.652 flat angles P-C4'-P energy: -87.699 tors. eta vs tors. theta energy: -147.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1798.251567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.251567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.251567 (E_RNA) where: Base-Base interactions energy: -1148.666 where: short stacking energy: -506.539 Base-Backbone interact. energy: -0.509 local terms energy: -649.076477 where: bonds (distance) C4'-P energy: -131.053 bonds (distance) P-C4' energy: -145.555 flat angles C4'-P-C4' energy: -140.331 flat angles P-C4'-P energy: -105.442 tors. eta vs tors. theta energy: -126.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1589.928184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.928184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.928184 (E_RNA) where: Base-Base interactions energy: -1007.220 where: short stacking energy: -447.705 Base-Backbone interact. energy: -0.667 local terms energy: -582.041549 where: bonds (distance) C4'-P energy: -129.074 bonds (distance) P-C4' energy: -136.493 flat angles C4'-P-C4' energy: -141.224 flat angles P-C4'-P energy: -81.642 tors. eta vs tors. theta energy: -93.609 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: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1169.629740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.629740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.629740 (E_RNA) where: Base-Base interactions energy: -655.057 where: short stacking energy: -309.335 Base-Backbone interact. energy: -4.548 local terms energy: -510.024284 where: bonds (distance) C4'-P energy: -144.329 bonds (distance) P-C4' energy: -125.512 flat angles C4'-P-C4' energy: -131.990 flat angles P-C4'-P energy: -81.122 tors. eta vs tors. theta energy: -27.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -650.532765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.532765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.532765 (E_RNA) where: Base-Base interactions energy: -259.883 where: short stacking energy: -179.167 Base-Backbone interact. energy: -0.233 local terms energy: -390.416797 where: bonds (distance) C4'-P energy: -106.527 bonds (distance) P-C4' energy: -143.395 flat angles C4'-P-C4' energy: -107.459 flat angles P-C4'-P energy: -67.626 tors. eta vs tors. theta energy: 34.590 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: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2880.669994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.669994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.669994 (E_RNA) where: Base-Base interactions energy: -1978.097 where: short stacking energy: -827.291 Base-Backbone interact. energy: -3.665 local terms energy: -898.907255 where: bonds (distance) C4'-P energy: -144.493 bonds (distance) P-C4' energy: -175.050 flat angles C4'-P-C4' energy: -194.936 flat angles P-C4'-P energy: -131.500 tors. eta vs tors. theta energy: -252.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2823.013994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.013994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.013994 (E_RNA) where: Base-Base interactions energy: -1956.015 where: short stacking energy: -789.197 Base-Backbone interact. energy: -0.993 local terms energy: -866.006098 where: bonds (distance) C4'-P energy: -151.529 bonds (distance) P-C4' energy: -168.377 flat angles C4'-P-C4' energy: -194.369 flat angles P-C4'-P energy: -120.793 tors. eta vs tors. theta energy: -230.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2689.801551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.801551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.801551 (E_RNA) where: Base-Base interactions energy: -1837.157 where: short stacking energy: -778.988 Base-Backbone interact. energy: -5.112 local terms energy: -847.533196 where: bonds (distance) C4'-P energy: -152.150 bonds (distance) P-C4' energy: -160.215 flat angles C4'-P-C4' energy: -178.229 flat angles P-C4'-P energy: -121.211 tors. eta vs tors. theta energy: -235.728 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: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2617.219314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.219314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.219314 (E_RNA) where: Base-Base interactions energy: -1787.260 where: short stacking energy: -740.401 Base-Backbone interact. energy: -5.309 local terms energy: -824.650384 where: bonds (distance) C4'-P energy: -148.654 bonds (distance) P-C4' energy: -151.004 flat angles C4'-P-C4' energy: -169.521 flat angles P-C4'-P energy: -123.185 tors. eta vs tors. theta energy: -232.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2444.787483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.787483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.787483 (E_RNA) where: Base-Base interactions energy: -1657.420 where: short stacking energy: -693.121 Base-Backbone interact. energy: -5.952 local terms energy: -781.415447 where: bonds (distance) C4'-P energy: -149.536 bonds (distance) P-C4' energy: -165.021 flat angles C4'-P-C4' energy: -176.377 flat angles P-C4'-P energy: -101.120 tors. eta vs tors. theta energy: -189.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2002.074733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.074733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.074733 (E_RNA) where: Base-Base interactions energy: -1306.450 where: short stacking energy: -611.113 Base-Backbone interact. energy: 2.966 local terms energy: -698.590110 where: bonds (distance) C4'-P energy: -132.730 bonds (distance) P-C4' energy: -158.261 flat angles C4'-P-C4' energy: -155.495 flat angles P-C4'-P energy: -104.270 tors. eta vs tors. theta energy: -147.833 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: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1870.220897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.220897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.220897 (E_RNA) where: Base-Base interactions energy: -1231.669 where: short stacking energy: -528.612 Base-Backbone interact. energy: 5.778 local terms energy: -644.330390 where: bonds (distance) C4'-P energy: -143.010 bonds (distance) P-C4' energy: -141.803 flat angles C4'-P-C4' energy: -148.046 flat angles P-C4'-P energy: -90.772 tors. eta vs tors. theta energy: -120.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1579.224605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.224605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.224605 (E_RNA) where: Base-Base interactions energy: -990.033 where: short stacking energy: -428.093 Base-Backbone interact. energy: -0.280 local terms energy: -588.911518 where: bonds (distance) C4'-P energy: -140.448 bonds (distance) P-C4' energy: -137.942 flat angles C4'-P-C4' energy: -156.863 flat angles P-C4'-P energy: -74.861 tors. eta vs tors. theta energy: -78.797 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: 323 Temperature: 1.300000 Total energy: -1187.865613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.865613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.865613 (E_RNA) where: Base-Base interactions energy: -676.482 where: short stacking energy: -321.519 Base-Backbone interact. energy: -1.541 local terms energy: -509.841963 where: bonds (distance) C4'-P energy: -122.405 bonds (distance) P-C4' energy: -161.061 flat angles C4'-P-C4' energy: -121.759 flat angles P-C4'-P energy: -81.754 tors. eta vs tors. theta energy: -22.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -674.043359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.043359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.043359 (E_RNA) where: Base-Base interactions energy: -241.901 where: short stacking energy: -176.044 Base-Backbone interact. energy: 3.441 local terms energy: -435.582851 where: bonds (distance) C4'-P energy: -129.393 bonds (distance) P-C4' energy: -154.589 flat angles C4'-P-C4' energy: -88.849 flat angles P-C4'-P energy: -78.825 tors. eta vs tors. theta energy: 16.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2887.528287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.528287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.528287 (E_RNA) where: Base-Base interactions energy: -1976.856 where: short stacking energy: -846.051 Base-Backbone interact. energy: -1.812 local terms energy: -908.860416 where: bonds (distance) C4'-P energy: -166.155 bonds (distance) P-C4' energy: -164.456 flat angles C4'-P-C4' energy: -186.915 flat angles P-C4'-P energy: -133.319 tors. eta vs tors. theta energy: -258.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2802.856064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.856064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.856064 (E_RNA) where: Base-Base interactions energy: -1960.798 where: short stacking energy: -816.005 Base-Backbone interact. energy: -3.625 local terms energy: -838.433782 where: bonds (distance) C4'-P energy: -153.933 bonds (distance) P-C4' energy: -153.132 flat angles C4'-P-C4' energy: -179.197 flat angles P-C4'-P energy: -110.310 tors. eta vs tors. theta energy: -241.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2689.166987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.166987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.166987 (E_RNA) where: Base-Base interactions energy: -1813.983 where: short stacking energy: -807.467 Base-Backbone interact. energy: -0.510 local terms energy: -874.673942 where: bonds (distance) C4'-P energy: -148.431 bonds (distance) P-C4' energy: -153.543 flat angles C4'-P-C4' energy: -180.893 flat angles P-C4'-P energy: -135.308 tors. eta vs tors. theta energy: -256.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2677.238197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.238197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.238197 (E_RNA) where: Base-Base interactions energy: -1828.795 where: short stacking energy: -794.815 Base-Backbone interact. energy: -2.098 local terms energy: -846.345413 where: bonds (distance) C4'-P energy: -142.361 bonds (distance) P-C4' energy: -154.323 flat angles C4'-P-C4' energy: -195.903 flat angles P-C4'-P energy: -113.470 tors. eta vs tors. theta energy: -240.288 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: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2383.839188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.839188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.839188 (E_RNA) where: Base-Base interactions energy: -1628.829 where: short stacking energy: -672.505 Base-Backbone interact. energy: -1.881 local terms energy: -753.128756 where: bonds (distance) C4'-P energy: -142.578 bonds (distance) P-C4' energy: -152.998 flat angles C4'-P-C4' energy: -164.983 flat angles P-C4'-P energy: -104.109 tors. eta vs tors. theta energy: -188.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2044.698780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.698780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.698780 (E_RNA) where: Base-Base interactions energy: -1328.199 where: short stacking energy: -607.778 Base-Backbone interact. energy: -2.667 local terms energy: -713.832013 where: bonds (distance) C4'-P energy: -153.781 bonds (distance) P-C4' energy: -143.935 flat angles C4'-P-C4' energy: -166.450 flat angles P-C4'-P energy: -85.568 tors. eta vs tors. theta energy: -164.099 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: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1799.809929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.809929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.809929 (E_RNA) where: Base-Base interactions energy: -1165.509 where: short stacking energy: -505.745 Base-Backbone interact. energy: -2.927 local terms energy: -631.374422 where: bonds (distance) C4'-P energy: -121.870 bonds (distance) P-C4' energy: -142.568 flat angles C4'-P-C4' energy: -139.491 flat angles P-C4'-P energy: -107.118 tors. eta vs tors. theta energy: -120.328 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: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1520.833905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.833905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.833905 (E_RNA) where: Base-Base interactions energy: -947.115 where: short stacking energy: -419.468 Base-Backbone interact. energy: -3.757 local terms energy: -569.961330 where: bonds (distance) C4'-P energy: -123.145 bonds (distance) P-C4' energy: -140.923 flat angles C4'-P-C4' energy: -135.396 flat angles P-C4'-P energy: -90.881 tors. eta vs tors. theta energy: -79.616 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: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1155.424913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.424913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.424913 (E_RNA) where: Base-Base interactions energy: -625.430 where: short stacking energy: -304.685 Base-Backbone interact. energy: 3.106 local terms energy: -533.100943 where: bonds (distance) C4'-P energy: -146.519 bonds (distance) P-C4' energy: -161.318 flat angles C4'-P-C4' energy: -123.840 flat angles P-C4'-P energy: -81.466 tors. eta vs tors. theta energy: -19.959 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: 10, replica: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -646.456095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.456095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.456095 (E_RNA) where: Base-Base interactions energy: -223.616 where: short stacking energy: -167.140 Base-Backbone interact. energy: 6.251 local terms energy: -429.091377 where: bonds (distance) C4'-P energy: -115.243 bonds (distance) P-C4' energy: -141.209 flat angles C4'-P-C4' energy: -125.657 flat angles P-C4'-P energy: -78.942 tors. eta vs tors. theta energy: 31.960 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: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2928.636435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.636435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.636435 (E_RNA) where: Base-Base interactions energy: -2012.818 where: short stacking energy: -858.778 Base-Backbone interact. energy: -0.922 local terms energy: -914.896701 where: bonds (distance) C4'-P energy: -155.494 bonds (distance) P-C4' energy: -165.708 flat angles C4'-P-C4' energy: -201.317 flat angles P-C4'-P energy: -119.341 tors. eta vs tors. theta energy: -273.036 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: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2779.083726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.083726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.083726 (E_RNA) where: Base-Base interactions energy: -1902.036 where: short stacking energy: -801.088 Base-Backbone interact. energy: -4.474 local terms energy: -872.574089 where: bonds (distance) C4'-P energy: -151.652 bonds (distance) P-C4' energy: -158.281 flat angles C4'-P-C4' energy: -195.923 flat angles P-C4'-P energy: -125.004 tors. eta vs tors. theta energy: -241.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2705.556870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.556870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.556870 (E_RNA) where: Base-Base interactions energy: -1844.926 where: short stacking energy: -824.372 Base-Backbone interact. energy: -2.642 local terms energy: -857.988606 where: bonds (distance) C4'-P energy: -157.227 bonds (distance) P-C4' energy: -157.656 flat angles C4'-P-C4' energy: -186.009 flat angles P-C4'-P energy: -117.562 tors. eta vs tors. theta energy: -239.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2617.712546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.712546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.712546 (E_RNA) where: Base-Base interactions energy: -1816.476 where: short stacking energy: -750.045 Base-Backbone interact. energy: -0.405 local terms energy: -800.831043 where: bonds (distance) C4'-P energy: -137.983 bonds (distance) P-C4' energy: -159.301 flat angles C4'-P-C4' energy: -174.410 flat angles P-C4'-P energy: -112.173 tors. eta vs tors. theta energy: -216.963 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: 325 Temperature: 1.100000 Total energy: -2346.750548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.750548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.750548 (E_RNA) where: Base-Base interactions energy: -1619.342 where: short stacking energy: -663.978 Base-Backbone interact. energy: 3.500 local terms energy: -730.908270 where: bonds (distance) C4'-P energy: -133.044 bonds (distance) P-C4' energy: -151.650 flat angles C4'-P-C4' energy: -161.140 flat angles P-C4'-P energy: -120.714 tors. eta vs tors. theta energy: -164.361 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: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2158.383964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.383964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.383964 (E_RNA) where: Base-Base interactions energy: -1419.043 where: short stacking energy: -621.319 Base-Backbone interact. energy: -0.156 local terms energy: -739.184159 where: bonds (distance) C4'-P energy: -156.765 bonds (distance) P-C4' energy: -153.064 flat angles C4'-P-C4' energy: -148.415 flat angles P-C4'-P energy: -104.678 tors. eta vs tors. theta energy: -176.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1828.059580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.059580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.059580 (E_RNA) where: Base-Base interactions energy: -1191.721 where: short stacking energy: -537.074 Base-Backbone interact. energy: 5.415 local terms energy: -641.753069 where: bonds (distance) C4'-P energy: -140.797 bonds (distance) P-C4' energy: -141.383 flat angles C4'-P-C4' energy: -139.194 flat angles P-C4'-P energy: -106.364 tors. eta vs tors. theta energy: -114.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1486.171310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.171310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.171310 (E_RNA) where: Base-Base interactions energy: -912.634 where: short stacking energy: -441.044 Base-Backbone interact. energy: 7.787 local terms energy: -581.324649 where: bonds (distance) C4'-P energy: -146.290 bonds (distance) P-C4' energy: -133.886 flat angles C4'-P-C4' energy: -148.835 flat angles P-C4'-P energy: -85.309 tors. eta vs tors. theta energy: -67.005 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: 325 Temperature: 1.300000 Total energy: -1130.341725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.341725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.341725 (E_RNA) where: Base-Base interactions energy: -641.562 where: short stacking energy: -292.811 Base-Backbone interact. energy: -4.317 local terms energy: -484.462442 where: bonds (distance) C4'-P energy: -125.700 bonds (distance) P-C4' energy: -147.325 flat angles C4'-P-C4' energy: -133.108 flat angles P-C4'-P energy: -58.503 tors. eta vs tors. theta energy: -19.826 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: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -635.533172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.533172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.533172 (E_RNA) where: Base-Base interactions energy: -211.626 where: short stacking energy: -159.953 Base-Backbone interact. energy: -1.877 local terms energy: -422.029489 where: bonds (distance) C4'-P energy: -122.118 bonds (distance) P-C4' energy: -159.351 flat angles C4'-P-C4' energy: -121.717 flat angles P-C4'-P energy: -52.814 tors. eta vs tors. theta energy: 33.971 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: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2926.643614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.643614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.643614 (E_RNA) where: Base-Base interactions energy: -2023.512 where: short stacking energy: -842.381 Base-Backbone interact. energy: 0.141 local terms energy: -903.272823 where: bonds (distance) C4'-P energy: -166.417 bonds (distance) P-C4' energy: -171.190 flat angles C4'-P-C4' energy: -185.448 flat angles P-C4'-P energy: -123.998 tors. eta vs tors. theta energy: -256.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2807.669297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.669297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.669297 (E_RNA) where: Base-Base interactions energy: -1943.258 where: short stacking energy: -802.776 Base-Backbone interact. energy: -6.960 local terms energy: -857.450931 where: bonds (distance) C4'-P energy: -147.594 bonds (distance) P-C4' energy: -169.884 flat angles C4'-P-C4' energy: -186.056 flat angles P-C4'-P energy: -124.201 tors. eta vs tors. theta energy: -229.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2689.332251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.332251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.332251 (E_RNA) where: Base-Base interactions energy: -1837.552 where: short stacking energy: -800.128 Base-Backbone interact. energy: -0.879 local terms energy: -850.901485 where: bonds (distance) C4'-P energy: -144.656 bonds (distance) P-C4' energy: -150.869 flat angles C4'-P-C4' energy: -187.930 flat angles P-C4'-P energy: -118.560 tors. eta vs tors. theta energy: -248.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2599.093080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.093080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.093080 (E_RNA) where: Base-Base interactions energy: -1778.400 where: short stacking energy: -751.656 Base-Backbone interact. energy: -0.746 local terms energy: -819.946972 where: bonds (distance) C4'-P energy: -147.881 bonds (distance) P-C4' energy: -138.526 flat angles C4'-P-C4' energy: -173.333 flat angles P-C4'-P energy: -117.000 tors. eta vs tors. theta energy: -243.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2341.953936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.953936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.953936 (E_RNA) where: Base-Base interactions energy: -1592.669 where: short stacking energy: -666.013 Base-Backbone interact. energy: -5.097 local terms energy: -744.187584 where: bonds (distance) C4'-P energy: -138.111 bonds (distance) P-C4' energy: -160.986 flat angles C4'-P-C4' energy: -175.549 flat angles P-C4'-P energy: -85.271 tors. eta vs tors. theta energy: -184.271 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: 9 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2179.841524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.841524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.841524 (E_RNA) where: Base-Base interactions energy: -1423.820 where: short stacking energy: -574.279 Base-Backbone interact. energy: -3.147 local terms energy: -752.873848 where: bonds (distance) C4'-P energy: -149.670 bonds (distance) P-C4' energy: -160.177 flat angles C4'-P-C4' energy: -165.824 flat angles P-C4'-P energy: -110.716 tors. eta vs tors. theta energy: -166.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1799.986211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.986211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.986211 (E_RNA) where: Base-Base interactions energy: -1145.374 where: short stacking energy: -541.385 Base-Backbone interact. energy: 1.705 local terms energy: -656.317185 where: bonds (distance) C4'-P energy: -158.043 bonds (distance) P-C4' energy: -135.603 flat angles C4'-P-C4' energy: -149.422 flat angles P-C4'-P energy: -100.370 tors. eta vs tors. theta energy: -112.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1548.483180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.483180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.483180 (E_RNA) where: Base-Base interactions energy: -951.978 where: short stacking energy: -460.402 Base-Backbone interact. energy: -3.046 local terms energy: -593.459930 where: bonds (distance) C4'-P energy: -126.389 bonds (distance) P-C4' energy: -138.991 flat angles C4'-P-C4' energy: -137.560 flat angles P-C4'-P energy: -91.241 tors. eta vs tors. theta energy: -99.280 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: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1166.218956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.218956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.218956 (E_RNA) where: Base-Base interactions energy: -654.686 where: short stacking energy: -301.865 Base-Backbone interact. energy: -1.383 local terms energy: -510.150200 where: bonds (distance) C4'-P energy: -142.168 bonds (distance) P-C4' energy: -145.731 flat angles C4'-P-C4' energy: -120.798 flat angles P-C4'-P energy: -79.744 tors. eta vs tors. theta energy: -21.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -629.710205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.710205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.710205 (E_RNA) where: Base-Base interactions energy: -224.415 where: short stacking energy: -174.685 Base-Backbone interact. energy: 0.784 local terms energy: -406.079331 where: bonds (distance) C4'-P energy: -149.724 bonds (distance) P-C4' energy: -126.650 flat angles C4'-P-C4' energy: -112.843 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: 41.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2919.520027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.520027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.520027 (E_RNA) where: Base-Base interactions energy: -1998.484 where: short stacking energy: -859.868 Base-Backbone interact. energy: -1.150 local terms energy: -919.886238 where: bonds (distance) C4'-P energy: -169.154 bonds (distance) P-C4' energy: -161.526 flat angles C4'-P-C4' energy: -189.792 flat angles P-C4'-P energy: -139.189 tors. eta vs tors. theta energy: -260.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2787.324444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.324444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.324444 (E_RNA) where: Base-Base interactions energy: -1941.356 where: short stacking energy: -794.722 Base-Backbone interact. energy: -1.620 local terms energy: -844.348496 where: bonds (distance) C4'-P energy: -163.103 bonds (distance) P-C4' energy: -163.679 flat angles C4'-P-C4' energy: -175.470 flat angles P-C4'-P energy: -119.132 tors. eta vs tors. theta energy: -222.965 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: 327 Temperature: 1.000000 Total energy: -2644.605393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.605393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.605393 (E_RNA) where: Base-Base interactions energy: -1803.692 where: short stacking energy: -777.391 Base-Backbone interact. energy: -5.959 local terms energy: -834.954586 where: bonds (distance) C4'-P energy: -168.095 bonds (distance) P-C4' energy: -144.776 flat angles C4'-P-C4' energy: -179.330 flat angles P-C4'-P energy: -114.736 tors. eta vs tors. theta energy: -228.018 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: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2615.131691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.131691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.131691 (E_RNA) where: Base-Base interactions energy: -1764.141 where: short stacking energy: -762.542 Base-Backbone interact. energy: -5.232 local terms energy: -845.758349 where: bonds (distance) C4'-P energy: -159.917 bonds (distance) P-C4' energy: -175.684 flat angles C4'-P-C4' energy: -181.214 flat angles P-C4'-P energy: -104.249 tors. eta vs tors. theta energy: -224.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2372.064928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.064928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.064928 (E_RNA) where: Base-Base interactions energy: -1645.248 where: short stacking energy: -675.344 Base-Backbone interact. energy: -4.978 local terms energy: -721.839145 where: bonds (distance) C4'-P energy: -133.359 bonds (distance) P-C4' energy: -161.814 flat angles C4'-P-C4' energy: -149.780 flat angles P-C4'-P energy: -107.140 tors. eta vs tors. theta energy: -169.747 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: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2173.045827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.045827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.045827 (E_RNA) where: Base-Base interactions energy: -1469.639 where: short stacking energy: -672.652 Base-Backbone interact. energy: -2.778 local terms energy: -700.628651 where: bonds (distance) C4'-P energy: -125.501 bonds (distance) P-C4' energy: -141.543 flat angles C4'-P-C4' energy: -156.939 flat angles P-C4'-P energy: -94.055 tors. eta vs tors. theta energy: -182.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1710.802345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.802345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.802345 (E_RNA) where: Base-Base interactions energy: -1110.504 where: short stacking energy: -482.328 Base-Backbone interact. energy: 0.935 local terms energy: -601.233259 where: bonds (distance) C4'-P energy: -110.647 bonds (distance) P-C4' energy: -161.595 flat angles C4'-P-C4' energy: -136.091 flat angles P-C4'-P energy: -94.051 tors. eta vs tors. theta energy: -98.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1593.209563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.209563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.209563 (E_RNA) where: Base-Base interactions energy: -1016.000 where: short stacking energy: -426.793 Base-Backbone interact. energy: -1.058 local terms energy: -576.150809 where: bonds (distance) C4'-P energy: -114.332 bonds (distance) P-C4' energy: -159.133 flat angles C4'-P-C4' energy: -119.026 flat angles P-C4'-P energy: -78.281 tors. eta vs tors. theta energy: -105.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1196.582674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.582674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.582674 (E_RNA) where: Base-Base interactions energy: -653.468 where: short stacking energy: -308.741 Base-Backbone interact. energy: -5.119 local terms energy: -537.996450 where: bonds (distance) C4'-P energy: -129.023 bonds (distance) P-C4' energy: -128.280 flat angles C4'-P-C4' energy: -155.622 flat angles P-C4'-P energy: -81.032 tors. eta vs tors. theta energy: -44.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -626.398630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.398630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.398630 (E_RNA) where: Base-Base interactions energy: -189.546 where: short stacking energy: -164.322 Base-Backbone interact. energy: 5.107 local terms energy: -441.959906 where: bonds (distance) C4'-P energy: -126.770 bonds (distance) P-C4' energy: -129.638 flat angles C4'-P-C4' energy: -138.716 flat angles P-C4'-P energy: -73.574 tors. eta vs tors. theta energy: 26.737 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: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2948.022133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.022133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.022133 (E_RNA) where: Base-Base interactions energy: -2030.936 where: short stacking energy: -883.215 Base-Backbone interact. energy: -1.942 local terms energy: -915.143971 where: bonds (distance) C4'-P energy: -160.909 bonds (distance) P-C4' energy: -169.327 flat angles C4'-P-C4' energy: -181.210 flat angles P-C4'-P energy: -126.039 tors. eta vs tors. theta energy: -277.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2780.542431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.542431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.542431 (E_RNA) where: Base-Base interactions energy: -1890.760 where: short stacking energy: -771.948 Base-Backbone interact. energy: -8.362 local terms energy: -881.420966 where: bonds (distance) C4'-P energy: -155.988 bonds (distance) P-C4' energy: -162.183 flat angles C4'-P-C4' energy: -198.176 flat angles P-C4'-P energy: -141.598 tors. eta vs tors. theta energy: -223.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2652.967745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.967745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.967745 (E_RNA) where: Base-Base interactions energy: -1830.170 where: short stacking energy: -757.510 Base-Backbone interact. energy: 0.556 local terms energy: -823.353759 where: bonds (distance) C4'-P energy: -143.853 bonds (distance) P-C4' energy: -147.740 flat angles C4'-P-C4' energy: -181.869 flat angles P-C4'-P energy: -122.592 tors. eta vs tors. theta energy: -227.301 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: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2598.931777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.931777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.931777 (E_RNA) where: Base-Base interactions energy: -1806.030 where: short stacking energy: -780.415 Base-Backbone interact. energy: -1.243 local terms energy: -791.658906 where: bonds (distance) C4'-P energy: -147.688 bonds (distance) P-C4' energy: -149.225 flat angles C4'-P-C4' energy: -162.699 flat angles P-C4'-P energy: -115.139 tors. eta vs tors. theta energy: -216.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2506.090834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.090834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.090834 (E_RNA) where: Base-Base interactions energy: -1743.496 where: short stacking energy: -723.583 Base-Backbone interact. energy: -3.411 local terms energy: -759.183672 where: bonds (distance) C4'-P energy: -164.481 bonds (distance) P-C4' energy: -132.344 flat angles C4'-P-C4' energy: -168.228 flat angles P-C4'-P energy: -91.566 tors. eta vs tors. theta energy: -202.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2167.953821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.953821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.953821 (E_RNA) where: Base-Base interactions energy: -1436.976 where: short stacking energy: -650.028 Base-Backbone interact. energy: 0.303 local terms energy: -731.281797 where: bonds (distance) C4'-P energy: -128.523 bonds (distance) P-C4' energy: -163.697 flat angles C4'-P-C4' energy: -168.981 flat angles P-C4'-P energy: -87.542 tors. eta vs tors. theta energy: -182.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1680.502237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.502237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.502237 (E_RNA) where: Base-Base interactions energy: -1096.811 where: short stacking energy: -472.276 Base-Backbone interact. energy: 2.577 local terms energy: -586.268650 where: bonds (distance) C4'-P energy: -128.492 bonds (distance) P-C4' energy: -144.323 flat angles C4'-P-C4' energy: -143.121 flat angles P-C4'-P energy: -83.051 tors. eta vs tors. theta energy: -87.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1481.368022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.368022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.368022 (E_RNA) where: Base-Base interactions energy: -913.432 where: short stacking energy: -409.224 Base-Backbone interact. energy: 1.783 local terms energy: -569.718801 where: bonds (distance) C4'-P energy: -138.464 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -124.337 flat angles P-C4'-P energy: -97.411 tors. eta vs tors. theta energy: -74.414 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: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1191.966832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.966832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.966832 (E_RNA) where: Base-Base interactions energy: -671.777 where: short stacking energy: -325.262 Base-Backbone interact. energy: -2.037 local terms energy: -518.153182 where: bonds (distance) C4'-P energy: -140.878 bonds (distance) P-C4' energy: -146.790 flat angles C4'-P-C4' energy: -118.360 flat angles P-C4'-P energy: -82.282 tors. eta vs tors. theta energy: -29.843 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: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -614.557452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.557452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.557452 (E_RNA) where: Base-Base interactions energy: -188.898 where: short stacking energy: -127.527 Base-Backbone interact. energy: 1.492 local terms energy: -427.151571 where: bonds (distance) C4'-P energy: -153.019 bonds (distance) P-C4' energy: -142.714 flat angles C4'-P-C4' energy: -114.237 flat angles P-C4'-P energy: -75.615 tors. eta vs tors. theta energy: 58.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2932.998125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.998125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.998125 (E_RNA) where: Base-Base interactions energy: -2016.772 where: short stacking energy: -874.424 Base-Backbone interact. energy: -3.452 local terms energy: -912.774310 where: bonds (distance) C4'-P energy: -164.562 bonds (distance) P-C4' energy: -165.601 flat angles C4'-P-C4' energy: -193.317 flat angles P-C4'-P energy: -125.951 tors. eta vs tors. theta energy: -263.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2800.048590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.048590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.048590 (E_RNA) where: Base-Base interactions energy: -1942.784 where: short stacking energy: -783.534 Base-Backbone interact. energy: -2.707 local terms energy: -854.557224 where: bonds (distance) C4'-P energy: -154.645 bonds (distance) P-C4' energy: -147.242 flat angles C4'-P-C4' energy: -188.203 flat angles P-C4'-P energy: -127.480 tors. eta vs tors. theta energy: -236.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2705.273773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.273773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.273773 (E_RNA) where: Base-Base interactions energy: -1845.019 where: short stacking energy: -812.849 Base-Backbone interact. energy: -3.077 local terms energy: -857.177995 where: bonds (distance) C4'-P energy: -140.766 bonds (distance) P-C4' energy: -158.574 flat angles C4'-P-C4' energy: -188.345 flat angles P-C4'-P energy: -123.244 tors. eta vs tors. theta energy: -246.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2555.109614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.109614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.109614 (E_RNA) where: Base-Base interactions energy: -1754.476 where: short stacking energy: -717.900 Base-Backbone interact. energy: 4.170 local terms energy: -804.803259 where: bonds (distance) C4'-P energy: -147.568 bonds (distance) P-C4' energy: -149.424 flat angles C4'-P-C4' energy: -176.876 flat angles P-C4'-P energy: -109.575 tors. eta vs tors. theta energy: -221.361 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: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2490.943294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.943294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.943294 (E_RNA) where: Base-Base interactions energy: -1715.086 where: short stacking energy: -718.909 Base-Backbone interact. energy: -1.165 local terms energy: -774.691564 where: bonds (distance) C4'-P energy: -142.038 bonds (distance) P-C4' energy: -153.199 flat angles C4'-P-C4' energy: -163.885 flat angles P-C4'-P energy: -116.930 tors. eta vs tors. theta energy: -198.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2205.993634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.993634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.993634 (E_RNA) where: Base-Base interactions energy: -1496.989 where: short stacking energy: -647.287 Base-Backbone interact. energy: -1.905 local terms energy: -707.099751 where: bonds (distance) C4'-P energy: -146.732 bonds (distance) P-C4' energy: -148.901 flat angles C4'-P-C4' energy: -151.320 flat angles P-C4'-P energy: -98.697 tors. eta vs tors. theta energy: -161.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1756.028499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.028499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.028499 (E_RNA) where: Base-Base interactions energy: -1083.030 where: short stacking energy: -500.320 Base-Backbone interact. energy: 1.892 local terms energy: -674.890666 where: bonds (distance) C4'-P energy: -146.464 bonds (distance) P-C4' energy: -138.062 flat angles C4'-P-C4' energy: -152.516 flat angles P-C4'-P energy: -124.295 tors. eta vs tors. theta energy: -113.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1503.472995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.472995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.472995 (E_RNA) where: Base-Base interactions energy: -906.683 where: short stacking energy: -418.516 Base-Backbone interact. energy: -3.359 local terms energy: -593.430928 where: bonds (distance) C4'-P energy: -135.673 bonds (distance) P-C4' energy: -162.668 flat angles C4'-P-C4' energy: -137.104 flat angles P-C4'-P energy: -81.119 tors. eta vs tors. theta energy: -76.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1238.832020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.832020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.832020 (E_RNA) where: Base-Base interactions energy: -731.294 where: short stacking energy: -343.078 Base-Backbone interact. energy: -2.118 local terms energy: -505.420268 where: bonds (distance) C4'-P energy: -126.364 bonds (distance) P-C4' energy: -164.619 flat angles C4'-P-C4' energy: -115.837 flat angles P-C4'-P energy: -54.892 tors. eta vs tors. theta energy: -43.708 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: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -639.425725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.425725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.425725 (E_RNA) where: Base-Base interactions energy: -230.924 where: short stacking energy: -176.089 Base-Backbone interact. energy: -2.791 local terms energy: -405.711303 where: bonds (distance) C4'-P energy: -127.942 bonds (distance) P-C4' energy: -142.526 flat angles C4'-P-C4' energy: -98.392 flat angles P-C4'-P energy: -63.676 tors. eta vs tors. theta energy: 26.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2964.305562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.305562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.305562 (E_RNA) where: Base-Base interactions energy: -2003.044 where: short stacking energy: -861.019 Base-Backbone interact. energy: -3.717 local terms energy: -957.544174 where: bonds (distance) C4'-P energy: -168.362 bonds (distance) P-C4' energy: -168.743 flat angles C4'-P-C4' energy: -201.165 flat angles P-C4'-P energy: -148.261 tors. eta vs tors. theta energy: -271.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2775.928703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.928703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.928703 (E_RNA) where: Base-Base interactions energy: -1924.041 where: short stacking energy: -776.061 Base-Backbone interact. energy: 0.679 local terms energy: -852.567462 where: bonds (distance) C4'-P energy: -166.295 bonds (distance) P-C4' energy: -162.455 flat angles C4'-P-C4' energy: -163.679 flat angles P-C4'-P energy: -138.840 tors. eta vs tors. theta energy: -221.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2663.335345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.335345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.335345 (E_RNA) where: Base-Base interactions energy: -1820.705 where: short stacking energy: -792.146 Base-Backbone interact. energy: -1.304 local terms energy: -841.326840 where: bonds (distance) C4'-P energy: -141.623 bonds (distance) P-C4' energy: -162.697 flat angles C4'-P-C4' energy: -178.490 flat angles P-C4'-P energy: -123.573 tors. eta vs tors. theta energy: -234.943 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: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2559.492156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.492156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.492156 (E_RNA) where: Base-Base interactions energy: -1755.247 where: short stacking energy: -747.743 Base-Backbone interact. energy: -6.006 local terms energy: -798.239661 where: bonds (distance) C4'-P energy: -134.290 bonds (distance) P-C4' energy: -153.008 flat angles C4'-P-C4' energy: -160.064 flat angles P-C4'-P energy: -126.777 tors. eta vs tors. theta energy: -224.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2455.782752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.782752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.782752 (E_RNA) where: Base-Base interactions energy: -1688.904 where: short stacking energy: -709.414 Base-Backbone interact. energy: 0.712 local terms energy: -767.590939 where: bonds (distance) C4'-P energy: -141.573 bonds (distance) P-C4' energy: -140.069 flat angles C4'-P-C4' energy: -176.704 flat angles P-C4'-P energy: -113.269 tors. eta vs tors. theta energy: -195.975 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: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2148.649939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.649939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.649939 (E_RNA) where: Base-Base interactions energy: -1407.105 where: short stacking energy: -609.034 Base-Backbone interact. energy: -2.107 local terms energy: -739.437909 where: bonds (distance) C4'-P energy: -143.482 bonds (distance) P-C4' energy: -156.043 flat angles C4'-P-C4' energy: -159.710 flat angles P-C4'-P energy: -107.219 tors. eta vs tors. theta energy: -172.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1705.805218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.805218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.805218 (E_RNA) where: Base-Base interactions energy: -1056.105 where: short stacking energy: -464.403 Base-Backbone interact. energy: -3.811 local terms energy: -645.889258 where: bonds (distance) C4'-P energy: -164.871 bonds (distance) P-C4' energy: -157.484 flat angles C4'-P-C4' energy: -147.404 flat angles P-C4'-P energy: -82.631 tors. eta vs tors. theta energy: -93.499 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: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1453.797937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.797937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.797937 (E_RNA) where: Base-Base interactions energy: -867.894 where: short stacking energy: -399.538 Base-Backbone interact. energy: -5.350 local terms energy: -580.553476 where: bonds (distance) C4'-P energy: -122.172 bonds (distance) P-C4' energy: -142.036 flat angles C4'-P-C4' energy: -157.475 flat angles P-C4'-P energy: -99.064 tors. eta vs tors. theta energy: -59.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1212.695112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.695112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.695112 (E_RNA) where: Base-Base interactions energy: -685.565 where: short stacking energy: -309.495 Base-Backbone interact. energy: 2.936 local terms energy: -530.066278 where: bonds (distance) C4'-P energy: -143.537 bonds (distance) P-C4' energy: -158.584 flat angles C4'-P-C4' energy: -127.756 flat angles P-C4'-P energy: -87.298 tors. eta vs tors. theta energy: -12.891 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: 10, replica: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -662.260029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.260029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.260029 (E_RNA) where: Base-Base interactions energy: -205.938 where: short stacking energy: -166.250 Base-Backbone interact. energy: 0.466 local terms energy: -456.788694 where: bonds (distance) C4'-P energy: -121.170 bonds (distance) P-C4' energy: -168.555 flat angles C4'-P-C4' energy: -116.471 flat angles P-C4'-P energy: -71.605 tors. eta vs tors. theta energy: 21.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2911.159515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.159515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.159515 (E_RNA) where: Base-Base interactions energy: -2000.713 where: short stacking energy: -842.044 Base-Backbone interact. energy: -2.562 local terms energy: -907.883684 where: bonds (distance) C4'-P energy: -153.249 bonds (distance) P-C4' energy: -168.643 flat angles C4'-P-C4' energy: -190.595 flat angles P-C4'-P energy: -136.667 tors. eta vs tors. theta energy: -258.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2736.135374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.135374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.135374 (E_RNA) where: Base-Base interactions energy: -1896.231 where: short stacking energy: -779.502 Base-Backbone interact. energy: -4.134 local terms energy: -835.770385 where: bonds (distance) C4'-P energy: -170.523 bonds (distance) P-C4' energy: -162.954 flat angles C4'-P-C4' energy: -174.236 flat angles P-C4'-P energy: -105.951 tors. eta vs tors. theta energy: -222.106 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: 3, replica: 8 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2669.324843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.324843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.324843 (E_RNA) where: Base-Base interactions energy: -1826.024 where: short stacking energy: -804.194 Base-Backbone interact. energy: -4.340 local terms energy: -838.961139 where: bonds (distance) C4'-P energy: -163.390 bonds (distance) P-C4' energy: -160.004 flat angles C4'-P-C4' energy: -167.497 flat angles P-C4'-P energy: -103.241 tors. eta vs tors. theta energy: -244.829 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: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2552.891242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.891242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.891242 (E_RNA) where: Base-Base interactions energy: -1719.436 where: short stacking energy: -733.917 Base-Backbone interact. energy: -1.349 local terms energy: -832.105345 where: bonds (distance) C4'-P energy: -153.640 bonds (distance) P-C4' energy: -150.337 flat angles C4'-P-C4' energy: -179.686 flat angles P-C4'-P energy: -132.660 tors. eta vs tors. theta energy: -215.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2457.603832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.603832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.603832 (E_RNA) where: Base-Base interactions energy: -1678.759 where: short stacking energy: -710.242 Base-Backbone interact. energy: -3.346 local terms energy: -775.499197 where: bonds (distance) C4'-P energy: -154.164 bonds (distance) P-C4' energy: -153.483 flat angles C4'-P-C4' energy: -169.365 flat angles P-C4'-P energy: -85.769 tors. eta vs tors. theta energy: -212.718 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: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2284.433234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.433234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.433234 (E_RNA) where: Base-Base interactions energy: -1550.261 where: short stacking energy: -689.638 Base-Backbone interact. energy: -3.272 local terms energy: -730.900067 where: bonds (distance) C4'-P energy: -137.555 bonds (distance) P-C4' energy: -152.214 flat angles C4'-P-C4' energy: -152.868 flat angles P-C4'-P energy: -96.942 tors. eta vs tors. theta energy: -191.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1718.613111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.613111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.613111 (E_RNA) where: Base-Base interactions energy: -1117.190 where: short stacking energy: -489.760 Base-Backbone interact. energy: 0.775 local terms energy: -602.198299 where: bonds (distance) C4'-P energy: -131.171 bonds (distance) P-C4' energy: -145.398 flat angles C4'-P-C4' energy: -140.020 flat angles P-C4'-P energy: -99.353 tors. eta vs tors. theta energy: -86.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1499.441352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.441352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.441352 (E_RNA) where: Base-Base interactions energy: -893.392 where: short stacking energy: -434.913 Base-Backbone interact. energy: 0.855 local terms energy: -606.904603 where: bonds (distance) C4'-P energy: -137.256 bonds (distance) P-C4' energy: -133.859 flat angles C4'-P-C4' energy: -168.285 flat angles P-C4'-P energy: -82.570 tors. eta vs tors. theta energy: -84.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1228.117257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.117257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.117257 (E_RNA) where: Base-Base interactions energy: -742.980 where: short stacking energy: -333.523 Base-Backbone interact. energy: 4.852 local terms energy: -489.988570 where: bonds (distance) C4'-P energy: -117.846 bonds (distance) P-C4' energy: -147.278 flat angles C4'-P-C4' energy: -144.761 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -13.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -658.151012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.151012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.151012 (E_RNA) where: Base-Base interactions energy: -252.584 where: short stacking energy: -150.737 Base-Backbone interact. energy: 3.475 local terms energy: -409.041629 where: bonds (distance) C4'-P energy: -125.792 bonds (distance) P-C4' energy: -143.066 flat angles C4'-P-C4' energy: -122.133 flat angles P-C4'-P energy: -69.875 tors. eta vs tors. theta energy: 51.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2931.132003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.132003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.132003 (E_RNA) where: Base-Base interactions energy: -2001.550 where: short stacking energy: -834.138 Base-Backbone interact. energy: -2.875 local terms energy: -926.706853 where: bonds (distance) C4'-P energy: -178.577 bonds (distance) P-C4' energy: -164.838 flat angles C4'-P-C4' energy: -189.501 flat angles P-C4'-P energy: -140.022 tors. eta vs tors. theta energy: -253.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2766.800065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.800065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.800065 (E_RNA) where: Base-Base interactions energy: -1884.524 where: short stacking energy: -762.412 Base-Backbone interact. energy: -4.567 local terms energy: -877.708663 where: bonds (distance) C4'-P energy: -173.119 bonds (distance) P-C4' energy: -173.151 flat angles C4'-P-C4' energy: -195.991 flat angles P-C4'-P energy: -121.533 tors. eta vs tors. theta energy: -213.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2652.785545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.785545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.785545 (E_RNA) where: Base-Base interactions energy: -1817.157 where: short stacking energy: -758.897 Base-Backbone interact. energy: -1.144 local terms energy: -834.484294 where: bonds (distance) C4'-P energy: -150.845 bonds (distance) P-C4' energy: -160.717 flat angles C4'-P-C4' energy: -170.734 flat angles P-C4'-P energy: -122.888 tors. eta vs tors. theta energy: -229.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2532.907164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.907164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.907164 (E_RNA) where: Base-Base interactions energy: -1724.866 where: short stacking energy: -693.681 Base-Backbone interact. energy: -5.540 local terms energy: -802.500925 where: bonds (distance) C4'-P energy: -160.984 bonds (distance) P-C4' energy: -152.776 flat angles C4'-P-C4' energy: -170.296 flat angles P-C4'-P energy: -112.309 tors. eta vs tors. theta energy: -206.135 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: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2415.024040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.024040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.024040 (E_RNA) where: Base-Base interactions energy: -1656.939 where: short stacking energy: -710.751 Base-Backbone interact. energy: -4.331 local terms energy: -753.753219 where: bonds (distance) C4'-P energy: -137.219 bonds (distance) P-C4' energy: -164.665 flat angles C4'-P-C4' energy: -166.008 flat angles P-C4'-P energy: -97.135 tors. eta vs tors. theta energy: -188.727 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: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2200.111186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.111186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.111186 (E_RNA) where: Base-Base interactions energy: -1490.222 where: short stacking energy: -650.101 Base-Backbone interact. energy: -0.750 local terms energy: -709.139169 where: bonds (distance) C4'-P energy: -136.844 bonds (distance) P-C4' energy: -153.976 flat angles C4'-P-C4' energy: -148.679 flat angles P-C4'-P energy: -94.988 tors. eta vs tors. theta energy: -174.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1804.175625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.175625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.175625 (E_RNA) where: Base-Base interactions energy: -1146.977 where: short stacking energy: -509.129 Base-Backbone interact. energy: 1.358 local terms energy: -658.557499 where: bonds (distance) C4'-P energy: -145.459 bonds (distance) P-C4' energy: -149.758 flat angles C4'-P-C4' energy: -153.035 flat angles P-C4'-P energy: -95.413 tors. eta vs tors. theta energy: -114.891 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: 332 Temperature: 1.250000 Total energy: -1435.850736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.850736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.850736 (E_RNA) where: Base-Base interactions energy: -852.201 where: short stacking energy: -401.507 Base-Backbone interact. energy: -1.660 local terms energy: -581.989511 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -153.344 flat angles C4'-P-C4' energy: -138.501 flat angles P-C4'-P energy: -81.334 tors. eta vs tors. theta energy: -81.892 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: 332 Temperature: 1.300000 Total energy: -1251.726134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.726134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.726134 (E_RNA) where: Base-Base interactions energy: -740.649 where: short stacking energy: -317.561 Base-Backbone interact. energy: -0.299 local terms energy: -510.778159 where: bonds (distance) C4'-P energy: -148.516 bonds (distance) P-C4' energy: -139.912 flat angles C4'-P-C4' energy: -119.031 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: -20.232 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: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -624.248911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.248911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.248911 (E_RNA) where: Base-Base interactions energy: -217.312 where: short stacking energy: -161.815 Base-Backbone interact. energy: 5.424 local terms energy: -412.361266 where: bonds (distance) C4'-P energy: -135.769 bonds (distance) P-C4' energy: -127.478 flat angles C4'-P-C4' energy: -126.680 flat angles P-C4'-P energy: -58.330 tors. eta vs tors. theta energy: 35.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2929.921973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.921973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.921973 (E_RNA) where: Base-Base interactions energy: -2016.904 where: short stacking energy: -852.336 Base-Backbone interact. energy: -2.837 local terms energy: -910.180814 where: bonds (distance) C4'-P energy: -174.074 bonds (distance) P-C4' energy: -162.753 flat angles C4'-P-C4' energy: -182.873 flat angles P-C4'-P energy: -125.708 tors. eta vs tors. theta energy: -264.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2762.533584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.533584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.533584 (E_RNA) where: Base-Base interactions energy: -1874.664 where: short stacking energy: -789.020 Base-Backbone interact. energy: -4.850 local terms energy: -883.019888 where: bonds (distance) C4'-P energy: -146.660 bonds (distance) P-C4' energy: -178.409 flat angles C4'-P-C4' energy: -181.721 flat angles P-C4'-P energy: -129.918 tors. eta vs tors. theta energy: -246.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2640.181441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.181441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.181441 (E_RNA) where: Base-Base interactions energy: -1794.911 where: short stacking energy: -749.992 Base-Backbone interact. energy: -7.935 local terms energy: -837.336182 where: bonds (distance) C4'-P energy: -148.580 bonds (distance) P-C4' energy: -168.151 flat angles C4'-P-C4' energy: -185.750 flat angles P-C4'-P energy: -121.171 tors. eta vs tors. theta energy: -213.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2554.788467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.788467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.788467 (E_RNA) where: Base-Base interactions energy: -1750.490 where: short stacking energy: -719.764 Base-Backbone interact. energy: -2.489 local terms energy: -801.810108 where: bonds (distance) C4'-P energy: -149.464 bonds (distance) P-C4' energy: -158.736 flat angles C4'-P-C4' energy: -174.609 flat angles P-C4'-P energy: -108.293 tors. eta vs tors. theta energy: -210.709 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: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2426.993739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.993739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.993739 (E_RNA) where: Base-Base interactions energy: -1659.034 where: short stacking energy: -691.709 Base-Backbone interact. energy: -2.024 local terms energy: -765.936139 where: bonds (distance) C4'-P energy: -146.081 bonds (distance) P-C4' energy: -154.742 flat angles C4'-P-C4' energy: -169.053 flat angles P-C4'-P energy: -99.409 tors. eta vs tors. theta energy: -196.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2212.005842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.005842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.005842 (E_RNA) where: Base-Base interactions energy: -1484.230 where: short stacking energy: -654.711 Base-Backbone interact. energy: 0.078 local terms energy: -727.854063 where: bonds (distance) C4'-P energy: -141.874 bonds (distance) P-C4' energy: -129.256 flat angles C4'-P-C4' energy: -164.221 flat angles P-C4'-P energy: -99.993 tors. eta vs tors. theta energy: -192.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1709.550958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.550958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.550958 (E_RNA) where: Base-Base interactions energy: -1038.286 where: short stacking energy: -477.729 Base-Backbone interact. energy: 3.032 local terms energy: -674.296693 where: bonds (distance) C4'-P energy: -146.818 bonds (distance) P-C4' energy: -153.671 flat angles C4'-P-C4' energy: -164.393 flat angles P-C4'-P energy: -96.173 tors. eta vs tors. theta energy: -113.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1482.961118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.961118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.961118 (E_RNA) where: Base-Base interactions energy: -880.700 where: short stacking energy: -392.162 Base-Backbone interact. energy: -1.231 local terms energy: -601.030664 where: bonds (distance) C4'-P energy: -127.887 bonds (distance) P-C4' energy: -159.707 flat angles C4'-P-C4' energy: -152.999 flat angles P-C4'-P energy: -85.627 tors. eta vs tors. theta energy: -74.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1229.104180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.104180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.104180 (E_RNA) where: Base-Base interactions energy: -717.920 where: short stacking energy: -343.276 Base-Backbone interact. energy: 1.475 local terms energy: -512.658843 where: bonds (distance) C4'-P energy: -131.685 bonds (distance) P-C4' energy: -146.395 flat angles C4'-P-C4' energy: -150.142 flat angles P-C4'-P energy: -56.530 tors. eta vs tors. theta energy: -27.906 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: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -662.265886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.265886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.265886 (E_RNA) where: Base-Base interactions energy: -273.149 where: short stacking energy: -195.254 Base-Backbone interact. energy: 2.006 local terms energy: -391.122564 where: bonds (distance) C4'-P energy: -110.463 bonds (distance) P-C4' energy: -153.924 flat angles C4'-P-C4' energy: -102.329 flat angles P-C4'-P energy: -59.710 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: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2922.097713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.097713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.097713 (E_RNA) where: Base-Base interactions energy: -2006.184 where: short stacking energy: -814.237 Base-Backbone interact. energy: -4.449 local terms energy: -911.465056 where: bonds (distance) C4'-P energy: -170.734 bonds (distance) P-C4' energy: -153.545 flat angles C4'-P-C4' energy: -202.027 flat angles P-C4'-P energy: -123.847 tors. eta vs tors. theta energy: -261.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2779.193853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.193853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.193853 (E_RNA) where: Base-Base interactions energy: -1898.741 where: short stacking energy: -843.887 Base-Backbone interact. energy: -2.120 local terms energy: -878.333451 where: bonds (distance) C4'-P energy: -169.643 bonds (distance) P-C4' energy: -154.271 flat angles C4'-P-C4' energy: -168.905 flat angles P-C4'-P energy: -141.448 tors. eta vs tors. theta energy: -244.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2641.969310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.969310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.969310 (E_RNA) where: Base-Base interactions energy: -1803.395 where: short stacking energy: -729.975 Base-Backbone interact. energy: -4.633 local terms energy: -833.940952 where: bonds (distance) C4'-P energy: -163.592 bonds (distance) P-C4' energy: -167.142 flat angles C4'-P-C4' energy: -155.200 flat angles P-C4'-P energy: -140.346 tors. eta vs tors. theta energy: -207.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2582.588469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.588469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.588469 (E_RNA) where: Base-Base interactions energy: -1743.515 where: short stacking energy: -738.015 Base-Backbone interact. energy: -2.651 local terms energy: -836.422373 where: bonds (distance) C4'-P energy: -154.109 bonds (distance) P-C4' energy: -150.301 flat angles C4'-P-C4' energy: -178.580 flat angles P-C4'-P energy: -122.244 tors. eta vs tors. theta energy: -231.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2412.618638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.618638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.618638 (E_RNA) where: Base-Base interactions energy: -1673.266 where: short stacking energy: -688.539 Base-Backbone interact. energy: -3.077 local terms energy: -736.275514 where: bonds (distance) C4'-P energy: -131.118 bonds (distance) P-C4' energy: -147.920 flat angles C4'-P-C4' energy: -153.561 flat angles P-C4'-P energy: -107.489 tors. eta vs tors. theta energy: -196.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2189.209478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.209478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.209478 (E_RNA) where: Base-Base interactions energy: -1473.564 where: short stacking energy: -642.899 Base-Backbone interact. energy: -1.369 local terms energy: -714.276048 where: bonds (distance) C4'-P energy: -138.726 bonds (distance) P-C4' energy: -134.242 flat angles C4'-P-C4' energy: -172.259 flat angles P-C4'-P energy: -100.720 tors. eta vs tors. theta energy: -168.329 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: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1731.862921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.862921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.862921 (E_RNA) where: Base-Base interactions energy: -1101.684 where: short stacking energy: -497.643 Base-Backbone interact. energy: -0.591 local terms energy: -629.588266 where: bonds (distance) C4'-P energy: -143.984 bonds (distance) P-C4' energy: -138.622 flat angles C4'-P-C4' energy: -161.753 flat angles P-C4'-P energy: -87.566 tors. eta vs tors. theta energy: -97.663 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: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1522.958543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.958543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.958543 (E_RNA) where: Base-Base interactions energy: -925.195 where: short stacking energy: -434.119 Base-Backbone interact. energy: 0.430 local terms energy: -598.193163 where: bonds (distance) C4'-P energy: -138.367 bonds (distance) P-C4' energy: -142.065 flat angles C4'-P-C4' energy: -155.167 flat angles P-C4'-P energy: -85.853 tors. eta vs tors. theta energy: -76.741 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: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1284.410476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.410476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.410476 (E_RNA) where: Base-Base interactions energy: -745.995 where: short stacking energy: -352.373 Base-Backbone interact. energy: 2.660 local terms energy: -541.075887 where: bonds (distance) C4'-P energy: -149.808 bonds (distance) P-C4' energy: -158.859 flat angles C4'-P-C4' energy: -117.651 flat angles P-C4'-P energy: -73.517 tors. eta vs tors. theta energy: -41.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -675.640350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.640350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.640350 (E_RNA) where: Base-Base interactions energy: -308.855 where: short stacking energy: -193.125 Base-Backbone interact. energy: 7.755 local terms energy: -374.540151 where: bonds (distance) C4'-P energy: -117.379 bonds (distance) P-C4' energy: -127.808 flat angles C4'-P-C4' energy: -102.350 flat angles P-C4'-P energy: -76.876 tors. eta vs tors. theta energy: 49.873 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: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2925.417061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.417061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.417061 (E_RNA) where: Base-Base interactions energy: -1991.188 where: short stacking energy: -854.952 Base-Backbone interact. energy: -1.586 local terms energy: -932.643836 where: bonds (distance) C4'-P energy: -178.297 bonds (distance) P-C4' energy: -170.872 flat angles C4'-P-C4' energy: -199.994 flat angles P-C4'-P energy: -121.657 tors. eta vs tors. theta energy: -261.824 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: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2783.472377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.472377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.472377 (E_RNA) where: Base-Base interactions energy: -1877.632 where: short stacking energy: -819.472 Base-Backbone interact. energy: -1.531 local terms energy: -904.308936 where: bonds (distance) C4'-P energy: -165.080 bonds (distance) P-C4' energy: -170.181 flat angles C4'-P-C4' energy: -184.684 flat angles P-C4'-P energy: -131.769 tors. eta vs tors. theta energy: -252.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2656.151791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.151791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.151791 (E_RNA) where: Base-Base interactions energy: -1836.945 where: short stacking energy: -740.543 Base-Backbone interact. energy: -7.506 local terms energy: -811.701108 where: bonds (distance) C4'-P energy: -158.991 bonds (distance) P-C4' energy: -148.603 flat angles C4'-P-C4' energy: -184.275 flat angles P-C4'-P energy: -110.210 tors. eta vs tors. theta energy: -209.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2562.193293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.193293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.193293 (E_RNA) where: Base-Base interactions energy: -1742.327 where: short stacking energy: -719.028 Base-Backbone interact. energy: 0.463 local terms energy: -820.329343 where: bonds (distance) C4'-P energy: -158.293 bonds (distance) P-C4' energy: -156.186 flat angles C4'-P-C4' energy: -184.719 flat angles P-C4'-P energy: -105.969 tors. eta vs tors. theta energy: -215.163 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: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2478.561696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.561696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.561696 (E_RNA) where: Base-Base interactions energy: -1697.714 where: short stacking energy: -725.250 Base-Backbone interact. energy: -0.742 local terms energy: -780.105558 where: bonds (distance) C4'-P energy: -152.560 bonds (distance) P-C4' energy: -142.095 flat angles C4'-P-C4' energy: -168.755 flat angles P-C4'-P energy: -112.241 tors. eta vs tors. theta energy: -204.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2248.229699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.229699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.229699 (E_RNA) where: Base-Base interactions energy: -1514.474 where: short stacking energy: -633.301 Base-Backbone interact. energy: -2.406 local terms energy: -731.349753 where: bonds (distance) C4'-P energy: -147.072 bonds (distance) P-C4' energy: -138.147 flat angles C4'-P-C4' energy: -166.703 flat angles P-C4'-P energy: -96.901 tors. eta vs tors. theta energy: -182.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1776.118991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.118991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.118991 (E_RNA) where: Base-Base interactions energy: -1120.761 where: short stacking energy: -481.771 Base-Backbone interact. energy: -2.437 local terms energy: -652.920944 where: bonds (distance) C4'-P energy: -136.270 bonds (distance) P-C4' energy: -147.468 flat angles C4'-P-C4' energy: -165.257 flat angles P-C4'-P energy: -98.661 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: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1559.370663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.370663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.370663 (E_RNA) where: Base-Base interactions energy: -979.022 where: short stacking energy: -474.878 Base-Backbone interact. energy: -0.045 local terms energy: -580.304337 where: bonds (distance) C4'-P energy: -121.146 bonds (distance) P-C4' energy: -151.849 flat angles C4'-P-C4' energy: -133.524 flat angles P-C4'-P energy: -89.396 tors. eta vs tors. theta energy: -84.390 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: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1334.283892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.283892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.283892 (E_RNA) where: Base-Base interactions energy: -804.000 where: short stacking energy: -381.731 Base-Backbone interact. energy: -1.893 local terms energy: -528.391164 where: bonds (distance) C4'-P energy: -122.915 bonds (distance) P-C4' energy: -128.644 flat angles C4'-P-C4' energy: -147.389 flat angles P-C4'-P energy: -77.453 tors. eta vs tors. theta energy: -51.991 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: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -726.185085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.185085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.185085 (E_RNA) where: Base-Base interactions energy: -332.708 where: short stacking energy: -216.684 Base-Backbone interact. energy: 1.503 local terms energy: -394.980095 where: bonds (distance) C4'-P energy: -132.690 bonds (distance) P-C4' energy: -118.936 flat angles C4'-P-C4' energy: -101.353 flat angles P-C4'-P energy: -59.028 tors. eta vs tors. theta energy: 17.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2917.676954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.676954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.676954 (E_RNA) where: Base-Base interactions energy: -1992.922 where: short stacking energy: -840.056 Base-Backbone interact. energy: 6.719 local terms energy: -931.473707 where: bonds (distance) C4'-P energy: -179.628 bonds (distance) P-C4' energy: -171.541 flat angles C4'-P-C4' energy: -197.998 flat angles P-C4'-P energy: -132.201 tors. eta vs tors. theta energy: -250.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2769.147291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.147291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.147291 (E_RNA) where: Base-Base interactions energy: -1864.865 where: short stacking energy: -823.008 Base-Backbone interact. energy: -2.643 local terms energy: -901.638932 where: bonds (distance) C4'-P energy: -165.541 bonds (distance) P-C4' energy: -169.125 flat angles C4'-P-C4' energy: -180.197 flat angles P-C4'-P energy: -132.349 tors. eta vs tors. theta energy: -254.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2715.057161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.057161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.057161 (E_RNA) where: Base-Base interactions energy: -1881.347 where: short stacking energy: -769.345 Base-Backbone interact. energy: -2.482 local terms energy: -831.228837 where: bonds (distance) C4'-P energy: -146.061 bonds (distance) P-C4' energy: -165.998 flat angles C4'-P-C4' energy: -182.257 flat angles P-C4'-P energy: -111.707 tors. eta vs tors. theta energy: -225.206 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: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2533.410519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.410519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.410519 (E_RNA) where: Base-Base interactions energy: -1737.766 where: short stacking energy: -745.641 Base-Backbone interact. energy: -2.638 local terms energy: -793.006620 where: bonds (distance) C4'-P energy: -138.372 bonds (distance) P-C4' energy: -159.423 flat angles C4'-P-C4' energy: -171.033 flat angles P-C4'-P energy: -117.659 tors. eta vs tors. theta energy: -206.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2457.661116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.661116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.661116 (E_RNA) where: Base-Base interactions energy: -1680.664 where: short stacking energy: -716.357 Base-Backbone interact. energy: 1.922 local terms energy: -778.919099 where: bonds (distance) C4'-P energy: -127.866 bonds (distance) P-C4' energy: -140.564 flat angles C4'-P-C4' energy: -177.315 flat angles P-C4'-P energy: -118.948 tors. eta vs tors. theta energy: -214.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2183.507826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.507826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.507826 (E_RNA) where: Base-Base interactions energy: -1490.549 where: short stacking energy: -661.746 Base-Backbone interact. energy: 2.027 local terms energy: -694.985978 where: bonds (distance) C4'-P energy: -139.771 bonds (distance) P-C4' energy: -135.826 flat angles C4'-P-C4' energy: -155.089 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -160.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1734.065412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.065412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.065412 (E_RNA) where: Base-Base interactions energy: -1089.854 where: short stacking energy: -510.815 Base-Backbone interact. energy: 2.551 local terms energy: -646.762157 where: bonds (distance) C4'-P energy: -144.704 bonds (distance) P-C4' energy: -147.967 flat angles C4'-P-C4' energy: -160.117 flat angles P-C4'-P energy: -88.128 tors. eta vs tors. theta energy: -105.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1555.212865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.212865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.212865 (E_RNA) where: Base-Base interactions energy: -977.226 where: short stacking energy: -437.039 Base-Backbone interact. energy: 3.853 local terms energy: -581.840146 where: bonds (distance) C4'-P energy: -116.112 bonds (distance) P-C4' energy: -139.851 flat angles C4'-P-C4' energy: -148.510 flat angles P-C4'-P energy: -91.610 tors. eta vs tors. theta energy: -85.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1327.817589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.817589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.817589 (E_RNA) where: Base-Base interactions energy: -803.486 where: short stacking energy: -386.575 Base-Backbone interact. energy: 1.775 local terms energy: -526.106730 where: bonds (distance) C4'-P energy: -133.202 bonds (distance) P-C4' energy: -152.110 flat angles C4'-P-C4' energy: -115.877 flat angles P-C4'-P energy: -73.759 tors. eta vs tors. theta energy: -51.159 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: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -807.187975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.187975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.187975 (E_RNA) where: Base-Base interactions energy: -375.323 where: short stacking energy: -216.147 Base-Backbone interact. energy: 0.608 local terms energy: -432.473794 where: bonds (distance) C4'-P energy: -121.187 bonds (distance) P-C4' energy: -147.005 flat angles C4'-P-C4' energy: -105.368 flat angles P-C4'-P energy: -72.433 tors. eta vs tors. theta energy: 13.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2909.991958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.991958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.991958 (E_RNA) where: Base-Base interactions energy: -1985.295 where: short stacking energy: -842.404 Base-Backbone interact. energy: -2.288 local terms energy: -922.408680 where: bonds (distance) C4'-P energy: -171.075 bonds (distance) P-C4' energy: -174.404 flat angles C4'-P-C4' energy: -197.578 flat angles P-C4'-P energy: -123.941 tors. eta vs tors. theta energy: -255.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2803.182639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.182639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.182639 (E_RNA) where: Base-Base interactions energy: -1930.634 where: short stacking energy: -861.573 Base-Backbone interact. energy: -4.173 local terms energy: -868.375546 where: bonds (distance) C4'-P energy: -163.080 bonds (distance) P-C4' energy: -150.216 flat angles C4'-P-C4' energy: -188.621 flat angles P-C4'-P energy: -113.390 tors. eta vs tors. theta energy: -253.069 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: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2736.557734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.557734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.557734 (E_RNA) where: Base-Base interactions energy: -1876.192 where: short stacking energy: -793.620 Base-Backbone interact. energy: -2.573 local terms energy: -857.792878 where: bonds (distance) C4'-P energy: -147.767 bonds (distance) P-C4' energy: -165.963 flat angles C4'-P-C4' energy: -181.760 flat angles P-C4'-P energy: -140.431 tors. eta vs tors. theta energy: -221.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2520.980251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.980251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.980251 (E_RNA) where: Base-Base interactions energy: -1702.544 where: short stacking energy: -764.999 Base-Backbone interact. energy: -1.431 local terms energy: -817.006057 where: bonds (distance) C4'-P energy: -157.830 bonds (distance) P-C4' energy: -153.804 flat angles C4'-P-C4' energy: -177.494 flat angles P-C4'-P energy: -106.306 tors. eta vs tors. theta energy: -221.572 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: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2448.206286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.206286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.206286 (E_RNA) where: Base-Base interactions energy: -1666.569 where: short stacking energy: -695.489 Base-Backbone interact. energy: -2.841 local terms energy: -778.795966 where: bonds (distance) C4'-P energy: -165.648 bonds (distance) P-C4' energy: -134.400 flat angles C4'-P-C4' energy: -162.604 flat angles P-C4'-P energy: -106.460 tors. eta vs tors. theta energy: -209.684 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: 6, replica: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2143.117634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.117634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.117634 (E_RNA) where: Base-Base interactions energy: -1412.355 where: short stacking energy: -600.477 Base-Backbone interact. energy: -3.082 local terms energy: -727.681304 where: bonds (distance) C4'-P energy: -152.196 bonds (distance) P-C4' energy: -138.518 flat angles C4'-P-C4' energy: -170.021 flat angles P-C4'-P energy: -99.561 tors. eta vs tors. theta energy: -167.386 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: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1705.831387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.831387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.831387 (E_RNA) where: Base-Base interactions energy: -1103.838 where: short stacking energy: -491.798 Base-Backbone interact. energy: -2.067 local terms energy: -599.926613 where: bonds (distance) C4'-P energy: -122.041 bonds (distance) P-C4' energy: -156.162 flat angles C4'-P-C4' energy: -149.879 flat angles P-C4'-P energy: -73.491 tors. eta vs tors. theta energy: -98.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1471.063974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.063974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.063974 (E_RNA) where: Base-Base interactions energy: -917.220 where: short stacking energy: -424.611 Base-Backbone interact. energy: 0.244 local terms energy: -554.087587 where: bonds (distance) C4'-P energy: -118.869 bonds (distance) P-C4' energy: -134.998 flat angles C4'-P-C4' energy: -134.139 flat angles P-C4'-P energy: -83.323 tors. eta vs tors. theta energy: -82.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1283.962327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.962327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.962327 (E_RNA) where: Base-Base interactions energy: -760.355 where: short stacking energy: -356.436 Base-Backbone interact. energy: 3.589 local terms energy: -527.195584 where: bonds (distance) C4'-P energy: -138.574 bonds (distance) P-C4' energy: -148.893 flat angles C4'-P-C4' energy: -138.882 flat angles P-C4'-P energy: -50.063 tors. eta vs tors. theta energy: -50.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -799.881544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.881544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.881544 (E_RNA) where: Base-Base interactions energy: -374.229 where: short stacking energy: -216.815 Base-Backbone interact. energy: 4.448 local terms energy: -430.100856 where: bonds (distance) C4'-P energy: -146.237 bonds (distance) P-C4' energy: -120.586 flat angles C4'-P-C4' energy: -118.323 flat angles P-C4'-P energy: -61.056 tors. eta vs tors. theta energy: 16.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2934.303287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.303287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.303287 (E_RNA) where: Base-Base interactions energy: -2025.960 where: short stacking energy: -886.387 Base-Backbone interact. energy: -1.938 local terms energy: -906.404544 where: bonds (distance) C4'-P energy: -164.189 bonds (distance) P-C4' energy: -155.084 flat angles C4'-P-C4' energy: -198.634 flat angles P-C4'-P energy: -121.501 tors. eta vs tors. theta energy: -266.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2807.326797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.326797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.326797 (E_RNA) where: Base-Base interactions energy: -1907.361 where: short stacking energy: -826.616 Base-Backbone interact. energy: -1.444 local terms energy: -898.521246 where: bonds (distance) C4'-P energy: -160.305 bonds (distance) P-C4' energy: -162.515 flat angles C4'-P-C4' energy: -187.353 flat angles P-C4'-P energy: -123.718 tors. eta vs tors. theta energy: -264.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2714.756177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.756177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.756177 (E_RNA) where: Base-Base interactions energy: -1881.062 where: short stacking energy: -761.810 Base-Backbone interact. energy: -2.430 local terms energy: -831.264821 where: bonds (distance) C4'-P energy: -145.728 bonds (distance) P-C4' energy: -170.223 flat angles C4'-P-C4' energy: -178.587 flat angles P-C4'-P energy: -110.034 tors. eta vs tors. theta energy: -226.693 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: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2500.234584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.234584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.234584 (E_RNA) where: Base-Base interactions energy: -1671.579 where: short stacking energy: -711.597 Base-Backbone interact. energy: -3.282 local terms energy: -825.373753 where: bonds (distance) C4'-P energy: -170.073 bonds (distance) P-C4' energy: -142.856 flat angles C4'-P-C4' energy: -175.527 flat angles P-C4'-P energy: -124.985 tors. eta vs tors. theta energy: -211.932 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: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2476.067433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.067433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.067433 (E_RNA) where: Base-Base interactions energy: -1682.679 where: short stacking energy: -711.004 Base-Backbone interact. energy: -3.617 local terms energy: -789.770691 where: bonds (distance) C4'-P energy: -146.394 bonds (distance) P-C4' energy: -153.580 flat angles C4'-P-C4' energy: -165.670 flat angles P-C4'-P energy: -115.591 tors. eta vs tors. theta energy: -208.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2142.830690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.830690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.830690 (E_RNA) where: Base-Base interactions energy: -1469.025 where: short stacking energy: -638.187 Base-Backbone interact. energy: -2.545 local terms energy: -671.261037 where: bonds (distance) C4'-P energy: -124.080 bonds (distance) P-C4' energy: -129.224 flat angles C4'-P-C4' energy: -151.321 flat angles P-C4'-P energy: -103.774 tors. eta vs tors. theta energy: -162.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1781.009414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.009414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.009414 (E_RNA) where: Base-Base interactions energy: -1138.336 where: short stacking energy: -516.983 Base-Backbone interact. energy: 0.569 local terms energy: -643.242986 where: bonds (distance) C4'-P energy: -127.579 bonds (distance) P-C4' energy: -151.182 flat angles C4'-P-C4' energy: -153.478 flat angles P-C4'-P energy: -97.351 tors. eta vs tors. theta energy: -113.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1430.524165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.524165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.524165 (E_RNA) where: Base-Base interactions energy: -863.505 where: short stacking energy: -403.950 Base-Backbone interact. energy: -3.317 local terms energy: -563.702102 where: bonds (distance) C4'-P energy: -149.152 bonds (distance) P-C4' energy: -149.268 flat angles C4'-P-C4' energy: -137.876 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: -64.590 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: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1165.877667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.877667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.877667 (E_RNA) where: Base-Base interactions energy: -663.734 where: short stacking energy: -329.204 Base-Backbone interact. energy: -4.325 local terms energy: -497.818195 where: bonds (distance) C4'-P energy: -118.501 bonds (distance) P-C4' energy: -153.016 flat angles C4'-P-C4' energy: -123.082 flat angles P-C4'-P energy: -73.063 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: 10, replica: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -786.102387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.102387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.102387 (E_RNA) where: Base-Base interactions energy: -375.134 where: short stacking energy: -238.815 Base-Backbone interact. energy: 6.703 local terms energy: -417.672064 where: bonds (distance) C4'-P energy: -93.801 bonds (distance) P-C4' energy: -143.322 flat angles C4'-P-C4' energy: -108.537 flat angles P-C4'-P energy: -81.979 tors. eta vs tors. theta energy: 9.967 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: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2931.964309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.964309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.964309 (E_RNA) where: Base-Base interactions energy: -2000.196 where: short stacking energy: -836.224 Base-Backbone interact. energy: -5.773 local terms energy: -925.995435 where: bonds (distance) C4'-P energy: -178.881 bonds (distance) P-C4' energy: -154.370 flat angles C4'-P-C4' energy: -198.474 flat angles P-C4'-P energy: -130.497 tors. eta vs tors. theta energy: -263.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2818.947719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.947719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.947719 (E_RNA) where: Base-Base interactions energy: -1904.990 where: short stacking energy: -815.749 Base-Backbone interact. energy: -5.662 local terms energy: -908.295644 where: bonds (distance) C4'-P energy: -164.309 bonds (distance) P-C4' energy: -158.363 flat angles C4'-P-C4' energy: -201.580 flat angles P-C4'-P energy: -117.882 tors. eta vs tors. theta energy: -266.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2750.863691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.863691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.863691 (E_RNA) where: Base-Base interactions energy: -1908.988 where: short stacking energy: -764.625 Base-Backbone interact. energy: -6.060 local terms energy: -835.816060 where: bonds (distance) C4'-P energy: -142.552 bonds (distance) P-C4' energy: -149.428 flat angles C4'-P-C4' energy: -188.929 flat angles P-C4'-P energy: -133.781 tors. eta vs tors. theta energy: -221.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2479.869366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.869366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.869366 (E_RNA) where: Base-Base interactions energy: -1686.448 where: short stacking energy: -712.039 Base-Backbone interact. energy: -0.762 local terms energy: -792.659853 where: bonds (distance) C4'-P energy: -149.453 bonds (distance) P-C4' energy: -146.159 flat angles C4'-P-C4' energy: -183.363 flat angles P-C4'-P energy: -102.691 tors. eta vs tors. theta energy: -210.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2422.434965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.434965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.434965 (E_RNA) where: Base-Base interactions energy: -1625.441 where: short stacking energy: -706.178 Base-Backbone interact. energy: -3.701 local terms energy: -793.293076 where: bonds (distance) C4'-P energy: -150.702 bonds (distance) P-C4' energy: -161.581 flat angles C4'-P-C4' energy: -167.888 flat angles P-C4'-P energy: -100.726 tors. eta vs tors. theta energy: -212.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2127.276299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.276299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.276299 (E_RNA) where: Base-Base interactions energy: -1406.794 where: short stacking energy: -631.952 Base-Backbone interact. energy: -0.863 local terms energy: -719.619761 where: bonds (distance) C4'-P energy: -152.373 bonds (distance) P-C4' energy: -149.214 flat angles C4'-P-C4' energy: -165.784 flat angles P-C4'-P energy: -87.925 tors. eta vs tors. theta energy: -164.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1811.803497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.803497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.803497 (E_RNA) where: Base-Base interactions energy: -1177.680 where: short stacking energy: -527.860 Base-Backbone interact. energy: -2.974 local terms energy: -631.149722 where: bonds (distance) C4'-P energy: -139.341 bonds (distance) P-C4' energy: -148.588 flat angles C4'-P-C4' energy: -135.869 flat angles P-C4'-P energy: -76.613 tors. eta vs tors. theta energy: -130.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1473.190201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.190201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.190201 (E_RNA) where: Base-Base interactions energy: -866.997 where: short stacking energy: -408.384 Base-Backbone interact. energy: -6.437 local terms energy: -599.756192 where: bonds (distance) C4'-P energy: -149.301 bonds (distance) P-C4' energy: -135.064 flat angles C4'-P-C4' energy: -146.558 flat angles P-C4'-P energy: -93.202 tors. eta vs tors. theta energy: -75.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1192.467747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.467747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.467747 (E_RNA) where: Base-Base interactions energy: -725.443 where: short stacking energy: -343.033 Base-Backbone interact. energy: 2.485 local terms energy: -469.509885 where: bonds (distance) C4'-P energy: -138.370 bonds (distance) P-C4' energy: -139.177 flat angles C4'-P-C4' energy: -108.585 flat angles P-C4'-P energy: -67.873 tors. eta vs tors. theta energy: -15.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -897.581882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.581882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.581882 (E_RNA) where: Base-Base interactions energy: -441.588 where: short stacking energy: -254.823 Base-Backbone interact. energy: 7.420 local terms energy: -463.413025 where: bonds (distance) C4'-P energy: -120.855 bonds (distance) P-C4' energy: -135.952 flat angles C4'-P-C4' energy: -138.540 flat angles P-C4'-P energy: -65.501 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2904.866338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.866338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.866338 (E_RNA) where: Base-Base interactions energy: -1999.740 where: short stacking energy: -837.497 Base-Backbone interact. energy: -4.048 local terms energy: -901.078331 where: bonds (distance) C4'-P energy: -159.693 bonds (distance) P-C4' energy: -177.088 flat angles C4'-P-C4' energy: -183.311 flat angles P-C4'-P energy: -120.485 tors. eta vs tors. theta energy: -260.501 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: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2861.713408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.713408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.713408 (E_RNA) where: Base-Base interactions energy: -1953.818 where: short stacking energy: -849.903 Base-Backbone interact. energy: 0.517 local terms energy: -908.412627 where: bonds (distance) C4'-P energy: -153.175 bonds (distance) P-C4' energy: -173.007 flat angles C4'-P-C4' energy: -183.622 flat angles P-C4'-P energy: -132.903 tors. eta vs tors. theta energy: -265.704 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: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2649.897996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.897996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.897996 (E_RNA) where: Base-Base interactions energy: -1822.123 where: short stacking energy: -778.822 Base-Backbone interact. energy: -5.795 local terms energy: -821.979620 where: bonds (distance) C4'-P energy: -153.500 bonds (distance) P-C4' energy: -166.836 flat angles C4'-P-C4' energy: -174.280 flat angles P-C4'-P energy: -109.613 tors. eta vs tors. theta energy: -217.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2446.796810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.796810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.796810 (E_RNA) where: Base-Base interactions energy: -1619.446 where: short stacking energy: -702.931 Base-Backbone interact. energy: 1.423 local terms energy: -828.773929 where: bonds (distance) C4'-P energy: -147.925 bonds (distance) P-C4' energy: -156.743 flat angles C4'-P-C4' energy: -173.368 flat angles P-C4'-P energy: -131.882 tors. eta vs tors. theta energy: -218.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2401.832156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.832156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.832156 (E_RNA) where: Base-Base interactions energy: -1633.373 where: short stacking energy: -690.714 Base-Backbone interact. energy: -3.464 local terms energy: -764.994689 where: bonds (distance) C4'-P energy: -143.187 bonds (distance) P-C4' energy: -153.721 flat angles C4'-P-C4' energy: -167.670 flat angles P-C4'-P energy: -104.109 tors. eta vs tors. theta energy: -196.308 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: 6, replica: 9 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2189.161654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.161654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.161654 (E_RNA) where: Base-Base interactions energy: -1459.180 where: short stacking energy: -648.767 Base-Backbone interact. energy: 0.356 local terms energy: -730.337266 where: bonds (distance) C4'-P energy: -150.703 bonds (distance) P-C4' energy: -135.935 flat angles C4'-P-C4' energy: -162.056 flat angles P-C4'-P energy: -105.428 tors. eta vs tors. theta energy: -176.216 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: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1825.937490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.937490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.937490 (E_RNA) where: Base-Base interactions energy: -1204.213 where: short stacking energy: -524.162 Base-Backbone interact. energy: -0.750 local terms energy: -620.974375 where: bonds (distance) C4'-P energy: -139.284 bonds (distance) P-C4' energy: -140.665 flat angles C4'-P-C4' energy: -134.473 flat angles P-C4'-P energy: -84.475 tors. eta vs tors. theta energy: -122.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1405.852123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.852123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.852123 (E_RNA) where: Base-Base interactions energy: -829.188 where: short stacking energy: -377.930 Base-Backbone interact. energy: 3.285 local terms energy: -579.949125 where: bonds (distance) C4'-P energy: -138.173 bonds (distance) P-C4' energy: -148.358 flat angles C4'-P-C4' energy: -131.369 flat angles P-C4'-P energy: -92.874 tors. eta vs tors. theta energy: -69.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1162.782449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.782449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.782449 (E_RNA) where: Base-Base interactions energy: -667.980 where: short stacking energy: -308.299 Base-Backbone interact. energy: 1.413 local terms energy: -496.215251 where: bonds (distance) C4'-P energy: -137.143 bonds (distance) P-C4' energy: -126.740 flat angles C4'-P-C4' energy: -160.608 flat angles P-C4'-P energy: -62.279 tors. eta vs tors. theta energy: -9.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -914.553575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.553575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.553575 (E_RNA) where: Base-Base interactions energy: -446.172 where: short stacking energy: -243.679 Base-Backbone interact. energy: -0.493 local terms energy: -467.888521 where: bonds (distance) C4'-P energy: -119.634 bonds (distance) P-C4' energy: -140.393 flat angles C4'-P-C4' energy: -139.591 flat angles P-C4'-P energy: -70.609 tors. eta vs tors. theta energy: 2.338 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: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2944.903051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.903051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.903051 (E_RNA) where: Base-Base interactions energy: -2027.362 where: short stacking energy: -883.432 Base-Backbone interact. energy: -1.538 local terms energy: -916.003020 where: bonds (distance) C4'-P energy: -166.423 bonds (distance) P-C4' energy: -157.826 flat angles C4'-P-C4' energy: -188.914 flat angles P-C4'-P energy: -123.945 tors. eta vs tors. theta energy: -278.895 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: 2, replica: 8 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2820.681363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.681363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.681363 (E_RNA) where: Base-Base interactions energy: -1922.482 where: short stacking energy: -842.782 Base-Backbone interact. energy: -4.096 local terms energy: -894.103164 where: bonds (distance) C4'-P energy: -166.243 bonds (distance) P-C4' energy: -168.716 flat angles C4'-P-C4' energy: -175.605 flat angles P-C4'-P energy: -125.693 tors. eta vs tors. theta energy: -257.846 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: 3, replica: 6 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2715.833086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.833086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.833086 (E_RNA) where: Base-Base interactions energy: -1907.575 where: short stacking energy: -762.926 Base-Backbone interact. energy: -3.236 local terms energy: -805.022996 where: bonds (distance) C4'-P energy: -171.959 bonds (distance) P-C4' energy: -138.907 flat angles C4'-P-C4' energy: -170.156 flat angles P-C4'-P energy: -108.232 tors. eta vs tors. theta energy: -215.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2486.954705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.954705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.954705 (E_RNA) where: Base-Base interactions energy: -1684.522 where: short stacking energy: -736.462 Base-Backbone interact. energy: -4.468 local terms energy: -797.964313 where: bonds (distance) C4'-P energy: -153.395 bonds (distance) P-C4' energy: -155.206 flat angles C4'-P-C4' energy: -180.431 flat angles P-C4'-P energy: -87.521 tors. eta vs tors. theta energy: -221.410 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: 341 Temperature: 1.100000 Total energy: -2429.160093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.160093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.160093 (E_RNA) where: Base-Base interactions energy: -1707.442 where: short stacking energy: -696.515 Base-Backbone interact. energy: -3.547 local terms energy: -718.171816 where: bonds (distance) C4'-P energy: -142.399 bonds (distance) P-C4' energy: -135.730 flat angles C4'-P-C4' energy: -159.100 flat angles P-C4'-P energy: -88.725 tors. eta vs tors. theta energy: -192.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2115.648912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.648912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.648912 (E_RNA) where: Base-Base interactions energy: -1416.531 where: short stacking energy: -609.822 Base-Backbone interact. energy: 0.984 local terms energy: -700.102657 where: bonds (distance) C4'-P energy: -138.388 bonds (distance) P-C4' energy: -141.958 flat angles C4'-P-C4' energy: -156.694 flat angles P-C4'-P energy: -95.676 tors. eta vs tors. theta energy: -167.386 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: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1876.977461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.977461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.977461 (E_RNA) where: Base-Base interactions energy: -1195.276 where: short stacking energy: -524.651 Base-Backbone interact. energy: -0.242 local terms energy: -681.459366 where: bonds (distance) C4'-P energy: -146.587 bonds (distance) P-C4' energy: -145.049 flat angles C4'-P-C4' energy: -155.761 flat angles P-C4'-P energy: -110.927 tors. eta vs tors. theta energy: -123.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1471.474218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.474218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.474218 (E_RNA) where: Base-Base interactions energy: -931.631 where: short stacking energy: -407.256 Base-Backbone interact. energy: 2.121 local terms energy: -541.964588 where: bonds (distance) C4'-P energy: -129.679 bonds (distance) P-C4' energy: -145.890 flat angles C4'-P-C4' energy: -130.188 flat angles P-C4'-P energy: -62.074 tors. eta vs tors. theta energy: -74.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1179.464532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.464532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.464532 (E_RNA) where: Base-Base interactions energy: -660.507 where: short stacking energy: -319.407 Base-Backbone interact. energy: -3.719 local terms energy: -515.238314 where: bonds (distance) C4'-P energy: -135.827 bonds (distance) P-C4' energy: -178.432 flat angles C4'-P-C4' energy: -103.467 flat angles P-C4'-P energy: -70.159 tors. eta vs tors. theta energy: -27.353 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: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -875.548823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.548823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.548823 (E_RNA) where: Base-Base interactions energy: -453.446 where: short stacking energy: -263.826 Base-Backbone interact. energy: 2.651 local terms energy: -424.754141 where: bonds (distance) C4'-P energy: -124.999 bonds (distance) P-C4' energy: -140.957 flat angles C4'-P-C4' energy: -116.566 flat angles P-C4'-P energy: -52.563 tors. eta vs tors. theta energy: 10.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2959.649983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.649983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.649983 (E_RNA) where: Base-Base interactions energy: -2036.566 where: short stacking energy: -874.748 Base-Backbone interact. energy: -2.660 local terms energy: -920.424738 where: bonds (distance) C4'-P energy: -168.989 bonds (distance) P-C4' energy: -160.333 flat angles C4'-P-C4' energy: -194.435 flat angles P-C4'-P energy: -123.463 tors. eta vs tors. theta energy: -273.204 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: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2805.220678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.220678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.220678 (E_RNA) where: Base-Base interactions energy: -1894.307 where: short stacking energy: -815.381 Base-Backbone interact. energy: -4.774 local terms energy: -906.138977 where: bonds (distance) C4'-P energy: -173.382 bonds (distance) P-C4' energy: -173.797 flat angles C4'-P-C4' energy: -185.644 flat angles P-C4'-P energy: -117.709 tors. eta vs tors. theta energy: -255.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2721.677146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.677146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.677146 (E_RNA) where: Base-Base interactions energy: -1868.050 where: short stacking energy: -753.009 Base-Backbone interact. energy: -4.848 local terms energy: -848.779616 where: bonds (distance) C4'-P energy: -169.253 bonds (distance) P-C4' energy: -149.551 flat angles C4'-P-C4' energy: -175.828 flat angles P-C4'-P energy: -121.854 tors. eta vs tors. theta energy: -232.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2488.921855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.921855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.921855 (E_RNA) where: Base-Base interactions energy: -1685.599 where: short stacking energy: -740.270 Base-Backbone interact. energy: -2.789 local terms energy: -800.534285 where: bonds (distance) C4'-P energy: -157.548 bonds (distance) P-C4' energy: -164.941 flat angles C4'-P-C4' energy: -160.593 flat angles P-C4'-P energy: -83.411 tors. eta vs tors. theta energy: -234.041 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: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2443.193512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.193512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.193512 (E_RNA) where: Base-Base interactions energy: -1675.872 where: short stacking energy: -682.790 Base-Backbone interact. energy: -3.126 local terms energy: -764.194623 where: bonds (distance) C4'-P energy: -140.851 bonds (distance) P-C4' energy: -164.093 flat angles C4'-P-C4' energy: -168.537 flat angles P-C4'-P energy: -101.891 tors. eta vs tors. theta energy: -188.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2156.053691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.053691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.053691 (E_RNA) where: Base-Base interactions energy: -1412.258 where: short stacking energy: -634.638 Base-Backbone interact. energy: 0.825 local terms energy: -744.620385 where: bonds (distance) C4'-P energy: -159.931 bonds (distance) P-C4' energy: -154.120 flat angles C4'-P-C4' energy: -172.156 flat angles P-C4'-P energy: -108.235 tors. eta vs tors. theta energy: -150.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1920.072721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.072721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.072721 (E_RNA) where: Base-Base interactions energy: -1269.681 where: short stacking energy: -540.398 Base-Backbone interact. energy: -0.978 local terms energy: -649.413072 where: bonds (distance) C4'-P energy: -149.135 bonds (distance) P-C4' energy: -128.861 flat angles C4'-P-C4' energy: -142.875 flat angles P-C4'-P energy: -105.961 tors. eta vs tors. theta energy: -122.581 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: 342 Temperature: 1.250000 Total energy: -1491.372662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.372662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.372662 (E_RNA) where: Base-Base interactions energy: -935.148 where: short stacking energy: -449.804 Base-Backbone interact. energy: -2.579 local terms energy: -553.645663 where: bonds (distance) C4'-P energy: -128.256 bonds (distance) P-C4' energy: -134.793 flat angles C4'-P-C4' energy: -138.507 flat angles P-C4'-P energy: -78.504 tors. eta vs tors. theta energy: -73.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1162.476804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.476804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.476804 (E_RNA) where: Base-Base interactions energy: -673.088 where: short stacking energy: -342.793 Base-Backbone interact. energy: 10.348 local terms energy: -499.736851 where: bonds (distance) C4'-P energy: -135.192 bonds (distance) P-C4' energy: -143.933 flat angles C4'-P-C4' energy: -128.569 flat angles P-C4'-P energy: -71.802 tors. eta vs tors. theta energy: -20.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -851.268372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.268372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.268372 (E_RNA) where: Base-Base interactions energy: -431.620 where: short stacking energy: -267.738 Base-Backbone interact. energy: -2.595 local terms energy: -417.053296 where: bonds (distance) C4'-P energy: -110.376 bonds (distance) P-C4' energy: -117.788 flat angles C4'-P-C4' energy: -123.987 flat angles P-C4'-P energy: -66.467 tors. eta vs tors. theta energy: 1.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2907.256515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.256515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.256515 (E_RNA) where: Base-Base interactions energy: -2011.235 where: short stacking energy: -839.875 Base-Backbone interact. energy: -0.057 local terms energy: -895.964779 where: bonds (distance) C4'-P energy: -175.000 bonds (distance) P-C4' energy: -154.709 flat angles C4'-P-C4' energy: -201.295 flat angles P-C4'-P energy: -114.701 tors. eta vs tors. theta energy: -250.260 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: 343 Temperature: 0.950000 Total energy: -2809.304716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.304716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.304716 (E_RNA) where: Base-Base interactions energy: -1912.769 where: short stacking energy: -829.861 Base-Backbone interact. energy: -3.292 local terms energy: -893.243814 where: bonds (distance) C4'-P energy: -169.449 bonds (distance) P-C4' energy: -153.007 flat angles C4'-P-C4' energy: -193.430 flat angles P-C4'-P energy: -116.826 tors. eta vs tors. theta energy: -260.532 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: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2717.709911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.709911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.709911 (E_RNA) where: Base-Base interactions energy: -1872.985 where: short stacking energy: -757.648 Base-Backbone interact. energy: -5.514 local terms energy: -839.210577 where: bonds (distance) C4'-P energy: -170.549 bonds (distance) P-C4' energy: -156.889 flat angles C4'-P-C4' energy: -175.636 flat angles P-C4'-P energy: -103.585 tors. eta vs tors. theta energy: -232.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2452.691136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.691136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.691136 (E_RNA) where: Base-Base interactions energy: -1626.490 where: short stacking energy: -723.067 Base-Backbone interact. energy: -2.673 local terms energy: -823.529131 where: bonds (distance) C4'-P energy: -140.644 bonds (distance) P-C4' energy: -167.294 flat angles C4'-P-C4' energy: -177.273 flat angles P-C4'-P energy: -119.149 tors. eta vs tors. theta energy: -219.169 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: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2412.779005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.779005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.779005 (E_RNA) where: Base-Base interactions energy: -1654.473 where: short stacking energy: -695.427 Base-Backbone interact. energy: -4.215 local terms energy: -754.090125 where: bonds (distance) C4'-P energy: -136.435 bonds (distance) P-C4' energy: -151.824 flat angles C4'-P-C4' energy: -168.638 flat angles P-C4'-P energy: -115.192 tors. eta vs tors. theta energy: -182.002 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: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2111.201115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.201115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.201115 (E_RNA) where: Base-Base interactions energy: -1413.664 where: short stacking energy: -592.147 Base-Backbone interact. energy: -3.704 local terms energy: -693.833558 where: bonds (distance) C4'-P energy: -130.737 bonds (distance) P-C4' energy: -146.354 flat angles C4'-P-C4' energy: -160.728 flat angles P-C4'-P energy: -109.484 tors. eta vs tors. theta energy: -146.530 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: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1832.057293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.057293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.057293 (E_RNA) where: Base-Base interactions energy: -1174.978 where: short stacking energy: -509.892 Base-Backbone interact. energy: -3.904 local terms energy: -653.175767 where: bonds (distance) C4'-P energy: -149.323 bonds (distance) P-C4' energy: -140.973 flat angles C4'-P-C4' energy: -151.277 flat angles P-C4'-P energy: -93.873 tors. eta vs tors. theta energy: -117.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1504.487788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.487788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.487788 (E_RNA) where: Base-Base interactions energy: -944.360 where: short stacking energy: -434.717 Base-Backbone interact. energy: 1.416 local terms energy: -561.544302 where: bonds (distance) C4'-P energy: -126.811 bonds (distance) P-C4' energy: -130.678 flat angles C4'-P-C4' energy: -144.642 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: -82.603 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: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1215.464843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.464843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.464843 (E_RNA) where: Base-Base interactions energy: -679.273 where: short stacking energy: -324.409 Base-Backbone interact. energy: 1.300 local terms energy: -537.491779 where: bonds (distance) C4'-P energy: -137.094 bonds (distance) P-C4' energy: -155.282 flat angles C4'-P-C4' energy: -114.709 flat angles P-C4'-P energy: -84.217 tors. eta vs tors. theta energy: -46.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -847.168687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.168687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.168687 (E_RNA) where: Base-Base interactions energy: -386.160 where: short stacking energy: -215.003 Base-Backbone interact. energy: 6.337 local terms energy: -467.345710 where: bonds (distance) C4'-P energy: -134.970 bonds (distance) P-C4' energy: -130.540 flat angles C4'-P-C4' energy: -128.863 flat angles P-C4'-P energy: -103.444 tors. eta vs tors. theta energy: 30.471 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: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2921.814521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.814521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.814521 (E_RNA) where: Base-Base interactions energy: -2018.436 where: short stacking energy: -860.836 Base-Backbone interact. energy: -2.369 local terms energy: -901.009266 where: bonds (distance) C4'-P energy: -158.057 bonds (distance) P-C4' energy: -169.513 flat angles C4'-P-C4' energy: -194.011 flat angles P-C4'-P energy: -119.131 tors. eta vs tors. theta energy: -260.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2799.978490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.978490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.978490 (E_RNA) where: Base-Base interactions energy: -1906.543 where: short stacking energy: -812.994 Base-Backbone interact. energy: 1.037 local terms energy: -894.472317 where: bonds (distance) C4'-P energy: -159.061 bonds (distance) P-C4' energy: -156.205 flat angles C4'-P-C4' energy: -198.754 flat angles P-C4'-P energy: -119.845 tors. eta vs tors. theta energy: -260.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2711.941657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.941657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.941657 (E_RNA) where: Base-Base interactions energy: -1859.738 where: short stacking energy: -737.460 Base-Backbone interact. energy: -2.617 local terms energy: -849.586920 where: bonds (distance) C4'-P energy: -162.720 bonds (distance) P-C4' energy: -173.782 flat angles C4'-P-C4' energy: -186.751 flat angles P-C4'-P energy: -108.583 tors. eta vs tors. theta energy: -217.751 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: 4, replica: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2458.180758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.180758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.180758 (E_RNA) where: Base-Base interactions energy: -1639.780 where: short stacking energy: -699.151 Base-Backbone interact. energy: -0.041 local terms energy: -818.359751 where: bonds (distance) C4'-P energy: -155.482 bonds (distance) P-C4' energy: -161.129 flat angles C4'-P-C4' energy: -168.479 flat angles P-C4'-P energy: -114.780 tors. eta vs tors. theta energy: -218.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2375.482770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.482770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.482770 (E_RNA) where: Base-Base interactions energy: -1614.730 where: short stacking energy: -697.673 Base-Backbone interact. energy: -4.697 local terms energy: -756.056098 where: bonds (distance) C4'-P energy: -154.274 bonds (distance) P-C4' energy: -149.748 flat angles C4'-P-C4' energy: -175.757 flat angles P-C4'-P energy: -84.202 tors. eta vs tors. theta energy: -192.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2183.210187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.210187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.210187 (E_RNA) where: Base-Base interactions energy: -1433.434 where: short stacking energy: -634.797 Base-Backbone interact. energy: -0.750 local terms energy: -749.025864 where: bonds (distance) C4'-P energy: -138.704 bonds (distance) P-C4' energy: -162.262 flat angles C4'-P-C4' energy: -160.334 flat angles P-C4'-P energy: -109.102 tors. eta vs tors. theta energy: -178.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1775.457064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.457064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.457064 (E_RNA) where: Base-Base interactions energy: -1157.127 where: short stacking energy: -504.142 Base-Backbone interact. energy: -5.670 local terms energy: -612.659907 where: bonds (distance) C4'-P energy: -131.175 bonds (distance) P-C4' energy: -140.657 flat angles C4'-P-C4' energy: -158.237 flat angles P-C4'-P energy: -90.574 tors. eta vs tors. theta energy: -92.018 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: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1518.530795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.530795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.530795 (E_RNA) where: Base-Base interactions energy: -941.247 where: short stacking energy: -400.098 Base-Backbone interact. energy: 1.863 local terms energy: -579.147247 where: bonds (distance) C4'-P energy: -135.132 bonds (distance) P-C4' energy: -142.778 flat angles C4'-P-C4' energy: -142.676 flat angles P-C4'-P energy: -87.599 tors. eta vs tors. theta energy: -70.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1219.357105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.357105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.357105 (E_RNA) where: Base-Base interactions energy: -714.207 where: short stacking energy: -358.588 Base-Backbone interact. energy: 5.915 local terms energy: -511.065188 where: bonds (distance) C4'-P energy: -139.727 bonds (distance) P-C4' energy: -135.955 flat angles C4'-P-C4' energy: -132.042 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: -39.025 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: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -838.952811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.952811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.952811 (E_RNA) where: Base-Base interactions energy: -409.886 where: short stacking energy: -250.881 Base-Backbone interact. energy: 2.681 local terms energy: -431.747962 where: bonds (distance) C4'-P energy: -117.942 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -123.257 flat angles P-C4'-P energy: -63.249 tors. eta vs tors. theta energy: 3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2907.399731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.399731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.399731 (E_RNA) where: Base-Base interactions energy: -1979.650 where: short stacking energy: -821.981 Base-Backbone interact. energy: -4.044 local terms energy: -923.706186 where: bonds (distance) C4'-P energy: -160.638 bonds (distance) P-C4' energy: -180.675 flat angles C4'-P-C4' energy: -193.244 flat angles P-C4'-P energy: -133.699 tors. eta vs tors. theta energy: -255.449 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: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2767.934019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.934019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.934019 (E_RNA) where: Base-Base interactions energy: -1878.353 where: short stacking energy: -812.733 Base-Backbone interact. energy: -3.443 local terms energy: -886.137432 where: bonds (distance) C4'-P energy: -164.182 bonds (distance) P-C4' energy: -141.240 flat angles C4'-P-C4' energy: -193.922 flat angles P-C4'-P energy: -131.641 tors. eta vs tors. theta energy: -255.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2714.582693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.582693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.582693 (E_RNA) where: Base-Base interactions energy: -1873.730 where: short stacking energy: -739.352 Base-Backbone interact. energy: -5.096 local terms energy: -835.757473 where: bonds (distance) C4'-P energy: -155.309 bonds (distance) P-C4' energy: -136.463 flat angles C4'-P-C4' energy: -188.663 flat angles P-C4'-P energy: -128.707 tors. eta vs tors. theta energy: -226.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2440.505824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.505824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.505824 (E_RNA) where: Base-Base interactions energy: -1633.415 where: short stacking energy: -702.671 Base-Backbone interact. energy: -4.523 local terms energy: -802.568026 where: bonds (distance) C4'-P energy: -153.574 bonds (distance) P-C4' energy: -150.216 flat angles C4'-P-C4' energy: -188.287 flat angles P-C4'-P energy: -101.965 tors. eta vs tors. theta energy: -208.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2396.427626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.427626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.427626 (E_RNA) where: Base-Base interactions energy: -1652.022 where: short stacking energy: -688.993 Base-Backbone interact. energy: 1.564 local terms energy: -745.969961 where: bonds (distance) C4'-P energy: -127.932 bonds (distance) P-C4' energy: -142.633 flat angles C4'-P-C4' energy: -168.366 flat angles P-C4'-P energy: -113.507 tors. eta vs tors. theta energy: -193.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2204.445310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.445310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.445310 (E_RNA) where: Base-Base interactions energy: -1480.798 where: short stacking energy: -648.244 Base-Backbone interact. energy: 0.970 local terms energy: -724.616607 where: bonds (distance) C4'-P energy: -128.240 bonds (distance) P-C4' energy: -146.251 flat angles C4'-P-C4' energy: -163.852 flat angles P-C4'-P energy: -100.762 tors. eta vs tors. theta energy: -185.512 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: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1807.812110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.812110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.812110 (E_RNA) where: Base-Base interactions energy: -1164.202 where: short stacking energy: -522.941 Base-Backbone interact. energy: 0.070 local terms energy: -643.680635 where: bonds (distance) C4'-P energy: -119.873 bonds (distance) P-C4' energy: -149.945 flat angles C4'-P-C4' energy: -151.253 flat angles P-C4'-P energy: -103.492 tors. eta vs tors. theta energy: -119.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1524.440286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.440286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.440286 (E_RNA) where: Base-Base interactions energy: -950.229 where: short stacking energy: -424.968 Base-Backbone interact. energy: -0.807 local terms energy: -573.404065 where: bonds (distance) C4'-P energy: -128.668 bonds (distance) P-C4' energy: -142.381 flat angles C4'-P-C4' energy: -120.301 flat angles P-C4'-P energy: -100.621 tors. eta vs tors. theta energy: -81.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1194.176531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.176531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.176531 (E_RNA) where: Base-Base interactions energy: -660.221 where: short stacking energy: -333.139 Base-Backbone interact. energy: 0.048 local terms energy: -534.003117 where: bonds (distance) C4'-P energy: -138.969 bonds (distance) P-C4' energy: -150.243 flat angles C4'-P-C4' energy: -135.947 flat angles P-C4'-P energy: -69.720 tors. eta vs tors. theta energy: -39.125 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: 10, replica: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -853.198002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.198002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.198002 (E_RNA) where: Base-Base interactions energy: -426.876 where: short stacking energy: -266.940 Base-Backbone interact. energy: -3.307 local terms energy: -423.015226 where: bonds (distance) C4'-P energy: -123.983 bonds (distance) P-C4' energy: -129.145 flat angles C4'-P-C4' energy: -104.113 flat angles P-C4'-P energy: -70.822 tors. eta vs tors. theta energy: 5.049 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: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2932.902310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.902310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.902310 (E_RNA) where: Base-Base interactions energy: -2009.320 where: short stacking energy: -870.680 Base-Backbone interact. energy: -2.586 local terms energy: -920.996379 where: bonds (distance) C4'-P energy: -164.987 bonds (distance) P-C4' energy: -160.040 flat angles C4'-P-C4' energy: -193.816 flat angles P-C4'-P energy: -134.164 tors. eta vs tors. theta energy: -267.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2780.952202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.952202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.952202 (E_RNA) where: Base-Base interactions energy: -1900.130 where: short stacking energy: -847.426 Base-Backbone interact. energy: -1.564 local terms energy: -879.257843 where: bonds (distance) C4'-P energy: -149.438 bonds (distance) P-C4' energy: -155.303 flat angles C4'-P-C4' energy: -184.965 flat angles P-C4'-P energy: -126.123 tors. eta vs tors. theta energy: -263.430 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: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2722.430461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.430461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.430461 (E_RNA) where: Base-Base interactions energy: -1897.949 where: short stacking energy: -744.353 Base-Backbone interact. energy: -4.136 local terms energy: -820.345265 where: bonds (distance) C4'-P energy: -167.465 bonds (distance) P-C4' energy: -133.012 flat angles C4'-P-C4' energy: -189.552 flat angles P-C4'-P energy: -116.606 tors. eta vs tors. theta energy: -213.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2391.927291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.927291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.927291 (E_RNA) where: Base-Base interactions energy: -1576.354 where: short stacking energy: -670.486 Base-Backbone interact. energy: -4.555 local terms energy: -811.018393 where: bonds (distance) C4'-P energy: -149.372 bonds (distance) P-C4' energy: -163.507 flat angles C4'-P-C4' energy: -178.371 flat angles P-C4'-P energy: -118.155 tors. eta vs tors. theta energy: -201.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2427.379129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.379129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.379129 (E_RNA) where: Base-Base interactions energy: -1639.909 where: short stacking energy: -698.777 Base-Backbone interact. energy: 0.781 local terms energy: -788.251178 where: bonds (distance) C4'-P energy: -164.289 bonds (distance) P-C4' energy: -143.167 flat angles C4'-P-C4' energy: -174.130 flat angles P-C4'-P energy: -116.190 tors. eta vs tors. theta energy: -190.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2198.061885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.061885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.061885 (E_RNA) where: Base-Base interactions energy: -1481.971 where: short stacking energy: -660.503 Base-Backbone interact. energy: -2.243 local terms energy: -713.847406 where: bonds (distance) C4'-P energy: -132.976 bonds (distance) P-C4' energy: -152.864 flat angles C4'-P-C4' energy: -153.724 flat angles P-C4'-P energy: -107.684 tors. eta vs tors. theta energy: -166.600 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: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1778.276515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.276515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.276515 (E_RNA) where: Base-Base interactions energy: -1136.539 where: short stacking energy: -501.019 Base-Backbone interact. energy: -2.218 local terms energy: -639.520023 where: bonds (distance) C4'-P energy: -152.810 bonds (distance) P-C4' energy: -135.649 flat angles C4'-P-C4' energy: -148.807 flat angles P-C4'-P energy: -85.113 tors. eta vs tors. theta energy: -117.141 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: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1480.286098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.286098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.286098 (E_RNA) where: Base-Base interactions energy: -888.108 where: short stacking energy: -417.936 Base-Backbone interact. energy: -2.185 local terms energy: -589.993380 where: bonds (distance) C4'-P energy: -125.861 bonds (distance) P-C4' energy: -155.766 flat angles C4'-P-C4' energy: -164.810 flat angles P-C4'-P energy: -71.955 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: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1194.268766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.268766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.268766 (E_RNA) where: Base-Base interactions energy: -702.977 where: short stacking energy: -338.120 Base-Backbone interact. energy: 0.541 local terms energy: -491.832661 where: bonds (distance) C4'-P energy: -128.456 bonds (distance) P-C4' energy: -140.953 flat angles C4'-P-C4' energy: -137.133 flat angles P-C4'-P energy: -53.105 tors. eta vs tors. theta energy: -32.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -835.530364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.530364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.530364 (E_RNA) where: Base-Base interactions energy: -396.143 where: short stacking energy: -229.814 Base-Backbone interact. energy: 2.663 local terms energy: -442.050161 where: bonds (distance) C4'-P energy: -120.687 bonds (distance) P-C4' energy: -134.579 flat angles C4'-P-C4' energy: -113.342 flat angles P-C4'-P energy: -76.360 tors. eta vs tors. theta energy: 2.917 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: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2911.765010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.765010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.765010 (E_RNA) where: Base-Base interactions energy: -2000.432 where: short stacking energy: -870.543 Base-Backbone interact. energy: -1.041 local terms energy: -910.292246 where: bonds (distance) C4'-P energy: -145.542 bonds (distance) P-C4' energy: -172.149 flat angles C4'-P-C4' energy: -185.860 flat angles P-C4'-P energy: -136.433 tors. eta vs tors. theta energy: -270.309 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: 8 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2750.374170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.374170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.374170 (E_RNA) where: Base-Base interactions energy: -1838.532 where: short stacking energy: -827.135 Base-Backbone interact. energy: -6.518 local terms energy: -905.324667 where: bonds (distance) C4'-P energy: -156.705 bonds (distance) P-C4' energy: -157.289 flat angles C4'-P-C4' energy: -197.440 flat angles P-C4'-P energy: -131.493 tors. eta vs tors. theta energy: -262.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2744.892079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.892079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.892079 (E_RNA) where: Base-Base interactions energy: -1903.182 where: short stacking energy: -751.649 Base-Backbone interact. energy: -6.159 local terms energy: -835.551572 where: bonds (distance) C4'-P energy: -145.388 bonds (distance) P-C4' energy: -149.622 flat angles C4'-P-C4' energy: -192.243 flat angles P-C4'-P energy: -125.647 tors. eta vs tors. theta energy: -222.652 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: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2492.012118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.012118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.012118 (E_RNA) where: Base-Base interactions energy: -1715.168 where: short stacking energy: -702.232 Base-Backbone interact. energy: -1.044 local terms energy: -775.800673 where: bonds (distance) C4'-P energy: -161.400 bonds (distance) P-C4' energy: -152.286 flat angles C4'-P-C4' energy: -163.672 flat angles P-C4'-P energy: -109.645 tors. eta vs tors. theta energy: -188.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2360.549697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.549697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.549697 (E_RNA) where: Base-Base interactions energy: -1549.350 where: short stacking energy: -696.565 Base-Backbone interact. energy: -2.250 local terms energy: -808.949500 where: bonds (distance) C4'-P energy: -159.539 bonds (distance) P-C4' energy: -148.695 flat angles C4'-P-C4' energy: -181.488 flat angles P-C4'-P energy: -102.153 tors. eta vs tors. theta energy: -217.074 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: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2130.521073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.521073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.521073 (E_RNA) where: Base-Base interactions energy: -1420.389 where: short stacking energy: -633.632 Base-Backbone interact. energy: -3.827 local terms energy: -706.305001 where: bonds (distance) C4'-P energy: -151.236 bonds (distance) P-C4' energy: -127.484 flat angles C4'-P-C4' energy: -172.244 flat angles P-C4'-P energy: -96.823 tors. eta vs tors. theta energy: -158.517 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: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1832.793606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.793606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.793606 (E_RNA) where: Base-Base interactions energy: -1197.724 where: short stacking energy: -520.504 Base-Backbone interact. energy: -1.055 local terms energy: -634.014866 where: bonds (distance) C4'-P energy: -139.682 bonds (distance) P-C4' energy: -129.042 flat angles C4'-P-C4' energy: -142.007 flat angles P-C4'-P energy: -96.576 tors. eta vs tors. theta energy: -126.708 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: 347 Temperature: 1.250000 Total energy: -1507.109940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.109940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.109940 (E_RNA) where: Base-Base interactions energy: -918.816 where: short stacking energy: -427.008 Base-Backbone interact. energy: -2.109 local terms energy: -586.185395 where: bonds (distance) C4'-P energy: -127.063 bonds (distance) P-C4' energy: -140.477 flat angles C4'-P-C4' energy: -159.569 flat angles P-C4'-P energy: -78.354 tors. eta vs tors. theta energy: -80.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1262.191813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.191813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.191813 (E_RNA) where: Base-Base interactions energy: -763.039 where: short stacking energy: -342.692 Base-Backbone interact. energy: -2.377 local terms energy: -496.775333 where: bonds (distance) C4'-P energy: -147.444 bonds (distance) P-C4' energy: -123.989 flat angles C4'-P-C4' energy: -122.439 flat angles P-C4'-P energy: -57.274 tors. eta vs tors. theta energy: -45.628 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: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -883.349415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.349415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.349415 (E_RNA) where: Base-Base interactions energy: -436.316 where: short stacking energy: -243.184 Base-Backbone interact. energy: 3.189 local terms energy: -450.221726 where: bonds (distance) C4'-P energy: -138.510 bonds (distance) P-C4' energy: -128.815 flat angles C4'-P-C4' energy: -120.386 flat angles P-C4'-P energy: -72.076 tors. eta vs tors. theta energy: 9.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2969.560898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.560898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.560898 (E_RNA) where: Base-Base interactions energy: -2036.428 where: short stacking energy: -863.900 Base-Backbone interact. energy: -1.259 local terms energy: -931.873467 where: bonds (distance) C4'-P energy: -168.418 bonds (distance) P-C4' energy: -170.193 flat angles C4'-P-C4' energy: -195.685 flat angles P-C4'-P energy: -135.700 tors. eta vs tors. theta energy: -261.878 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: 348 Temperature: 0.950000 Total energy: -2785.099347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.099347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.099347 (E_RNA) where: Base-Base interactions energy: -1882.995 where: short stacking energy: -822.270 Base-Backbone interact. energy: -2.193 local terms energy: -899.911245 where: bonds (distance) C4'-P energy: -157.661 bonds (distance) P-C4' energy: -164.694 flat angles C4'-P-C4' energy: -190.426 flat angles P-C4'-P energy: -134.672 tors. eta vs tors. theta energy: -252.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2786.906554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.906554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.906554 (E_RNA) where: Base-Base interactions energy: -1931.902 where: short stacking energy: -768.406 Base-Backbone interact. energy: -0.219 local terms energy: -854.784965 where: bonds (distance) C4'-P energy: -171.408 bonds (distance) P-C4' energy: -154.231 flat angles C4'-P-C4' energy: -179.844 flat angles P-C4'-P energy: -114.919 tors. eta vs tors. theta energy: -234.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2512.627012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.627012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.627012 (E_RNA) where: Base-Base interactions energy: -1719.209 where: short stacking energy: -720.194 Base-Backbone interact. energy: -1.877 local terms energy: -791.540758 where: bonds (distance) C4'-P energy: -156.194 bonds (distance) P-C4' energy: -149.488 flat angles C4'-P-C4' energy: -168.060 flat angles P-C4'-P energy: -118.727 tors. eta vs tors. theta energy: -199.071 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: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2387.232782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.232782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.232782 (E_RNA) where: Base-Base interactions energy: -1587.043 where: short stacking energy: -721.968 Base-Backbone interact. energy: -2.787 local terms energy: -797.403487 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -144.432 flat angles C4'-P-C4' energy: -177.616 flat angles P-C4'-P energy: -120.665 tors. eta vs tors. theta energy: -211.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2170.357011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.357011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.357011 (E_RNA) where: Base-Base interactions energy: -1489.530 where: short stacking energy: -635.120 Base-Backbone interact. energy: -2.243 local terms energy: -678.583875 where: bonds (distance) C4'-P energy: -142.966 bonds (distance) P-C4' energy: -129.103 flat angles C4'-P-C4' energy: -166.079 flat angles P-C4'-P energy: -76.972 tors. eta vs tors. theta energy: -163.464 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: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1845.802662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.802662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.802662 (E_RNA) where: Base-Base interactions energy: -1221.832 where: short stacking energy: -515.510 Base-Backbone interact. energy: -0.462 local terms energy: -623.509062 where: bonds (distance) C4'-P energy: -137.278 bonds (distance) P-C4' energy: -136.336 flat angles C4'-P-C4' energy: -161.875 flat angles P-C4'-P energy: -74.133 tors. eta vs tors. theta energy: -113.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1480.709618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.709618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.709618 (E_RNA) where: Base-Base interactions energy: -896.646 where: short stacking energy: -411.869 Base-Backbone interact. energy: 4.394 local terms energy: -588.457768 where: bonds (distance) C4'-P energy: -126.964 bonds (distance) P-C4' energy: -144.248 flat angles C4'-P-C4' energy: -140.523 flat angles P-C4'-P energy: -96.286 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: 9, replica: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1261.326885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.326885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.326885 (E_RNA) where: Base-Base interactions energy: -744.590 where: short stacking energy: -342.380 Base-Backbone interact. energy: 7.458 local terms energy: -524.194515 where: bonds (distance) C4'-P energy: -141.198 bonds (distance) P-C4' energy: -152.422 flat angles C4'-P-C4' energy: -118.754 flat angles P-C4'-P energy: -72.900 tors. eta vs tors. theta energy: -38.919 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: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -853.543349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.543349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.543349 (E_RNA) where: Base-Base interactions energy: -431.106 where: short stacking energy: -243.245 Base-Backbone interact. energy: 1.107 local terms energy: -423.544083 where: bonds (distance) C4'-P energy: -130.233 bonds (distance) P-C4' energy: -134.743 flat angles C4'-P-C4' energy: -117.544 flat angles P-C4'-P energy: -55.549 tors. eta vs tors. theta energy: 14.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2923.473149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.473149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.473149 (E_RNA) where: Base-Base interactions energy: -2010.829 where: short stacking energy: -862.445 Base-Backbone interact. energy: -1.350 local terms energy: -911.294235 where: bonds (distance) C4'-P energy: -177.214 bonds (distance) P-C4' energy: -162.058 flat angles C4'-P-C4' energy: -189.014 flat angles P-C4'-P energy: -121.341 tors. eta vs tors. theta energy: -261.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2754.807024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.807024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.807024 (E_RNA) where: Base-Base interactions energy: -1872.354 where: short stacking energy: -813.060 Base-Backbone interact. energy: -3.996 local terms energy: -878.457469 where: bonds (distance) C4'-P energy: -166.186 bonds (distance) P-C4' energy: -158.714 flat angles C4'-P-C4' energy: -195.613 flat angles P-C4'-P energy: -111.113 tors. eta vs tors. theta energy: -246.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2749.316273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.316273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.316273 (E_RNA) where: Base-Base interactions energy: -1899.815 where: short stacking energy: -772.914 Base-Backbone interact. energy: -4.387 local terms energy: -845.114633 where: bonds (distance) C4'-P energy: -149.784 bonds (distance) P-C4' energy: -171.826 flat angles C4'-P-C4' energy: -168.592 flat angles P-C4'-P energy: -115.663 tors. eta vs tors. theta energy: -239.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2517.642353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.642353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.642353 (E_RNA) where: Base-Base interactions energy: -1709.778 where: short stacking energy: -712.494 Base-Backbone interact. energy: -3.855 local terms energy: -804.009362 where: bonds (distance) C4'-P energy: -141.081 bonds (distance) P-C4' energy: -151.798 flat angles C4'-P-C4' energy: -187.036 flat angles P-C4'-P energy: -104.351 tors. eta vs tors. theta energy: -219.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2386.526640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.526640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.526640 (E_RNA) where: Base-Base interactions energy: -1596.301 where: short stacking energy: -705.928 Base-Backbone interact. energy: -3.939 local terms energy: -786.286527 where: bonds (distance) C4'-P energy: -134.158 bonds (distance) P-C4' energy: -135.626 flat angles C4'-P-C4' energy: -180.490 flat angles P-C4'-P energy: -114.875 tors. eta vs tors. theta energy: -221.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2192.016394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.016394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.016394 (E_RNA) where: Base-Base interactions energy: -1460.408 where: short stacking energy: -650.867 Base-Backbone interact. energy: -4.424 local terms energy: -727.184564 where: bonds (distance) C4'-P energy: -130.088 bonds (distance) P-C4' energy: -137.969 flat angles C4'-P-C4' energy: -163.360 flat angles P-C4'-P energy: -113.007 tors. eta vs tors. theta energy: -182.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1842.303308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.303308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.303308 (E_RNA) where: Base-Base interactions energy: -1217.852 where: short stacking energy: -512.083 Base-Backbone interact. energy: -1.363 local terms energy: -623.087979 where: bonds (distance) C4'-P energy: -129.066 bonds (distance) P-C4' energy: -128.553 flat angles C4'-P-C4' energy: -151.614 flat angles P-C4'-P energy: -99.826 tors. eta vs tors. theta energy: -114.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1510.030069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.030069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.030069 (E_RNA) where: Base-Base interactions energy: -940.291 where: short stacking energy: -429.338 Base-Backbone interact. energy: -4.562 local terms energy: -565.176890 where: bonds (distance) C4'-P energy: -124.315 bonds (distance) P-C4' energy: -147.261 flat angles C4'-P-C4' energy: -130.579 flat angles P-C4'-P energy: -81.645 tors. eta vs tors. theta energy: -81.377 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: 349 Temperature: 1.300000 Total energy: -1295.483948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.483948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.483948 (E_RNA) where: Base-Base interactions energy: -788.907 where: short stacking energy: -365.227 Base-Backbone interact. energy: -3.196 local terms energy: -503.380895 where: bonds (distance) C4'-P energy: -134.964 bonds (distance) P-C4' energy: -136.954 flat angles C4'-P-C4' energy: -120.421 flat angles P-C4'-P energy: -65.734 tors. eta vs tors. theta energy: -45.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -842.785935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.785935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.785935 (E_RNA) where: Base-Base interactions energy: -411.099 where: short stacking energy: -231.148 Base-Backbone interact. energy: -0.741 local terms energy: -430.945202 where: bonds (distance) C4'-P energy: -116.508 bonds (distance) P-C4' energy: -123.906 flat angles C4'-P-C4' energy: -120.447 flat angles P-C4'-P energy: -81.345 tors. eta vs tors. theta energy: 11.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2943.646581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.646581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.646581 (E_RNA) where: Base-Base interactions energy: -2040.416 where: short stacking energy: -885.910 Base-Backbone interact. energy: -3.429 local terms energy: -899.801737 where: bonds (distance) C4'-P energy: -157.320 bonds (distance) P-C4' energy: -151.370 flat angles C4'-P-C4' energy: -193.215 flat angles P-C4'-P energy: -137.262 tors. eta vs tors. theta energy: -260.634 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: 2, replica: 8 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2744.582799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.582799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.582799 (E_RNA) where: Base-Base interactions energy: -1847.895 where: short stacking energy: -842.855 Base-Backbone interact. energy: -3.461 local terms energy: -893.226029 where: bonds (distance) C4'-P energy: -167.551 bonds (distance) P-C4' energy: -167.597 flat angles C4'-P-C4' energy: -187.059 flat angles P-C4'-P energy: -124.021 tors. eta vs tors. theta energy: -246.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2755.876719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.876719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.876719 (E_RNA) where: Base-Base interactions energy: -1923.603 where: short stacking energy: -804.987 Base-Backbone interact. energy: -1.536 local terms energy: -830.736953 where: bonds (distance) C4'-P energy: -142.776 bonds (distance) P-C4' energy: -151.649 flat angles C4'-P-C4' energy: -186.238 flat angles P-C4'-P energy: -109.102 tors. eta vs tors. theta energy: -240.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2551.723419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.723419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.723419 (E_RNA) where: Base-Base interactions energy: -1753.309 where: short stacking energy: -735.784 Base-Backbone interact. energy: -2.432 local terms energy: -795.982299 where: bonds (distance) C4'-P energy: -145.372 bonds (distance) P-C4' energy: -153.101 flat angles C4'-P-C4' energy: -179.409 flat angles P-C4'-P energy: -106.001 tors. eta vs tors. theta energy: -212.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2276.392839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.392839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.392839 (E_RNA) where: Base-Base interactions energy: -1523.058 where: short stacking energy: -655.495 Base-Backbone interact. energy: 3.011 local terms energy: -756.346322 where: bonds (distance) C4'-P energy: -150.365 bonds (distance) P-C4' energy: -145.333 flat angles C4'-P-C4' energy: -168.759 flat angles P-C4'-P energy: -111.093 tors. eta vs tors. theta energy: -180.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2299.095064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.095064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.095064 (E_RNA) where: Base-Base interactions energy: -1542.995 where: short stacking energy: -671.835 Base-Backbone interact. energy: -3.600 local terms energy: -752.499858 where: bonds (distance) C4'-P energy: -158.687 bonds (distance) P-C4' energy: -135.728 flat angles C4'-P-C4' energy: -168.232 flat angles P-C4'-P energy: -101.156 tors. eta vs tors. theta energy: -188.697 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: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1773.664593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.664593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.664593 (E_RNA) where: Base-Base interactions energy: -1150.204 where: short stacking energy: -485.232 Base-Backbone interact. energy: 1.342 local terms energy: -624.801760 where: bonds (distance) C4'-P energy: -156.070 bonds (distance) P-C4' energy: -147.433 flat angles C4'-P-C4' energy: -147.915 flat angles P-C4'-P energy: -77.473 tors. eta vs tors. theta energy: -95.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1569.894471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.894471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.894471 (E_RNA) where: Base-Base interactions energy: -933.725 where: short stacking energy: -431.430 Base-Backbone interact. energy: 0.689 local terms energy: -636.858623 where: bonds (distance) C4'-P energy: -169.303 bonds (distance) P-C4' energy: -142.814 flat angles C4'-P-C4' energy: -136.989 flat angles P-C4'-P energy: -100.685 tors. eta vs tors. theta energy: -87.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1201.117794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.117794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.117794 (E_RNA) where: Base-Base interactions energy: -685.805 where: short stacking energy: -357.485 Base-Backbone interact. energy: -1.405 local terms energy: -513.907941 where: bonds (distance) C4'-P energy: -152.474 bonds (distance) P-C4' energy: -121.685 flat angles C4'-P-C4' energy: -123.684 flat angles P-C4'-P energy: -78.776 tors. eta vs tors. theta energy: -37.290 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: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -804.525142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.525142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.525142 (E_RNA) where: Base-Base interactions energy: -392.494 where: short stacking energy: -224.834 Base-Backbone interact. energy: 4.936 local terms energy: -416.966661 where: bonds (distance) C4'-P energy: -141.476 bonds (distance) P-C4' energy: -126.179 flat angles C4'-P-C4' energy: -91.885 flat angles P-C4'-P energy: -61.531 tors. eta vs tors. theta energy: 4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2969.202035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.202035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.202035 (E_RNA) where: Base-Base interactions energy: -2070.925 where: short stacking energy: -860.346 Base-Backbone interact. energy: -2.539 local terms energy: -895.738639 where: bonds (distance) C4'-P energy: -161.117 bonds (distance) P-C4' energy: -160.861 flat angles C4'-P-C4' energy: -189.106 flat angles P-C4'-P energy: -126.099 tors. eta vs tors. theta energy: -258.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2754.301465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.301465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.301465 (E_RNA) where: Base-Base interactions energy: -1874.467 where: short stacking energy: -844.168 Base-Backbone interact. energy: -2.782 local terms energy: -877.053103 where: bonds (distance) C4'-P energy: -169.716 bonds (distance) P-C4' energy: -146.975 flat angles C4'-P-C4' energy: -189.980 flat angles P-C4'-P energy: -118.655 tors. eta vs tors. theta energy: -251.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2701.272250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.272250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.272250 (E_RNA) where: Base-Base interactions energy: -1866.164 where: short stacking energy: -774.238 Base-Backbone interact. energy: -1.768 local terms energy: -833.340225 where: bonds (distance) C4'-P energy: -157.152 bonds (distance) P-C4' energy: -157.519 flat angles C4'-P-C4' energy: -170.465 flat angles P-C4'-P energy: -116.188 tors. eta vs tors. theta energy: -232.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2502.616861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.616861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.616861 (E_RNA) where: Base-Base interactions energy: -1742.512 where: short stacking energy: -738.344 Base-Backbone interact. energy: -1.367 local terms energy: -758.737469 where: bonds (distance) C4'-P energy: -138.898 bonds (distance) P-C4' energy: -143.827 flat angles C4'-P-C4' energy: -157.786 flat angles P-C4'-P energy: -116.257 tors. eta vs tors. theta energy: -201.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2261.738278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.738278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.738278 (E_RNA) where: Base-Base interactions energy: -1521.354 where: short stacking energy: -644.235 Base-Backbone interact. energy: -0.386 local terms energy: -739.997443 where: bonds (distance) C4'-P energy: -136.699 bonds (distance) P-C4' energy: -147.206 flat angles C4'-P-C4' energy: -175.059 flat angles P-C4'-P energy: -103.814 tors. eta vs tors. theta energy: -177.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2253.905459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.905459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.905459 (E_RNA) where: Base-Base interactions energy: -1505.053 where: short stacking energy: -668.609 Base-Backbone interact. energy: -2.568 local terms energy: -746.284960 where: bonds (distance) C4'-P energy: -150.318 bonds (distance) P-C4' energy: -151.404 flat angles C4'-P-C4' energy: -139.910 flat angles P-C4'-P energy: -117.090 tors. eta vs tors. theta energy: -187.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1823.169198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.169198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.169198 (E_RNA) where: Base-Base interactions energy: -1154.987 where: short stacking energy: -495.580 Base-Backbone interact. energy: -0.383 local terms energy: -667.799564 where: bonds (distance) C4'-P energy: -139.952 bonds (distance) P-C4' energy: -137.831 flat angles C4'-P-C4' energy: -165.788 flat angles P-C4'-P energy: -107.644 tors. eta vs tors. theta energy: -116.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1546.068976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.068976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.068976 (E_RNA) where: Base-Base interactions energy: -975.073 where: short stacking energy: -471.526 Base-Backbone interact. energy: 2.271 local terms energy: -573.266707 where: bonds (distance) C4'-P energy: -127.349 bonds (distance) P-C4' energy: -142.700 flat angles C4'-P-C4' energy: -139.674 flat angles P-C4'-P energy: -76.930 tors. eta vs tors. theta energy: -86.614 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: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1170.037481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.037481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.037481 (E_RNA) where: Base-Base interactions energy: -674.022 where: short stacking energy: -344.758 Base-Backbone interact. energy: -2.263 local terms energy: -493.751681 where: bonds (distance) C4'-P energy: -132.938 bonds (distance) P-C4' energy: -135.041 flat angles C4'-P-C4' energy: -110.577 flat angles P-C4'-P energy: -86.719 tors. eta vs tors. theta energy: -28.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -910.588296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.588296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.588296 (E_RNA) where: Base-Base interactions energy: -433.042 where: short stacking energy: -259.350 Base-Backbone interact. energy: 0.306 local terms energy: -477.851674 where: bonds (distance) C4'-P energy: -134.616 bonds (distance) P-C4' energy: -136.266 flat angles C4'-P-C4' energy: -132.384 flat angles P-C4'-P energy: -65.426 tors. eta vs tors. theta energy: -9.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2981.358638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.358638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.358638 (E_RNA) where: Base-Base interactions energy: -2075.320 where: short stacking energy: -868.353 Base-Backbone interact. energy: -2.996 local terms energy: -903.043028 where: bonds (distance) C4'-P energy: -166.820 bonds (distance) P-C4' energy: -169.251 flat angles C4'-P-C4' energy: -188.526 flat angles P-C4'-P energy: -116.538 tors. eta vs tors. theta energy: -261.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2775.842418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.842418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.842418 (E_RNA) where: Base-Base interactions energy: -1882.027 where: short stacking energy: -856.807 Base-Backbone interact. energy: -2.820 local terms energy: -890.995746 where: bonds (distance) C4'-P energy: -153.757 bonds (distance) P-C4' energy: -180.775 flat angles C4'-P-C4' energy: -185.461 flat angles P-C4'-P energy: -123.946 tors. eta vs tors. theta energy: -247.057 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: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2633.015420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.015420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.015420 (E_RNA) where: Base-Base interactions energy: -1786.655 where: short stacking energy: -718.898 Base-Backbone interact. energy: -3.035 local terms energy: -843.325032 where: bonds (distance) C4'-P energy: -169.180 bonds (distance) P-C4' energy: -158.647 flat angles C4'-P-C4' energy: -178.576 flat angles P-C4'-P energy: -114.029 tors. eta vs tors. theta energy: -222.894 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: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2474.198245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.198245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.198245 (E_RNA) where: Base-Base interactions energy: -1695.920 where: short stacking energy: -704.178 Base-Backbone interact. energy: -0.387 local terms energy: -777.890882 where: bonds (distance) C4'-P energy: -144.490 bonds (distance) P-C4' energy: -172.952 flat angles C4'-P-C4' energy: -158.884 flat angles P-C4'-P energy: -114.953 tors. eta vs tors. theta energy: -186.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2346.587069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.587069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.587069 (E_RNA) where: Base-Base interactions energy: -1548.193 where: short stacking energy: -690.644 Base-Backbone interact. energy: 1.219 local terms energy: -799.612978 where: bonds (distance) C4'-P energy: -166.686 bonds (distance) P-C4' energy: -148.344 flat angles C4'-P-C4' energy: -168.916 flat angles P-C4'-P energy: -106.838 tors. eta vs tors. theta energy: -208.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2262.151229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.151229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.151229 (E_RNA) where: Base-Base interactions energy: -1508.093 where: short stacking energy: -671.897 Base-Backbone interact. energy: -1.073 local terms energy: -752.985098 where: bonds (distance) C4'-P energy: -157.563 bonds (distance) P-C4' energy: -165.604 flat angles C4'-P-C4' energy: -159.321 flat angles P-C4'-P energy: -75.324 tors. eta vs tors. theta energy: -195.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1812.398174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.398174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.398174 (E_RNA) where: Base-Base interactions energy: -1175.100 where: short stacking energy: -500.172 Base-Backbone interact. energy: 1.963 local terms energy: -639.261133 where: bonds (distance) C4'-P energy: -150.372 bonds (distance) P-C4' energy: -135.993 flat angles C4'-P-C4' energy: -145.443 flat angles P-C4'-P energy: -84.734 tors. eta vs tors. theta energy: -122.718 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: 352 Temperature: 1.250000 Total energy: -1621.410321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.410321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.410321 (E_RNA) where: Base-Base interactions energy: -1035.034 where: short stacking energy: -464.838 Base-Backbone interact. energy: 0.933 local terms energy: -587.308943 where: bonds (distance) C4'-P energy: -124.999 bonds (distance) P-C4' energy: -142.266 flat angles C4'-P-C4' energy: -131.677 flat angles P-C4'-P energy: -94.373 tors. eta vs tors. theta energy: -93.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1210.766529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.766529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.766529 (E_RNA) where: Base-Base interactions energy: -702.498 where: short stacking energy: -359.927 Base-Backbone interact. energy: -1.023 local terms energy: -507.245784 where: bonds (distance) C4'-P energy: -123.158 bonds (distance) P-C4' energy: -146.214 flat angles C4'-P-C4' energy: -102.782 flat angles P-C4'-P energy: -88.578 tors. eta vs tors. theta energy: -46.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -890.658549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.658549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.658549 (E_RNA) where: Base-Base interactions energy: -438.882 where: short stacking energy: -255.747 Base-Backbone interact. energy: -2.404 local terms energy: -449.372181 where: bonds (distance) C4'-P energy: -129.080 bonds (distance) P-C4' energy: -122.062 flat angles C4'-P-C4' energy: -114.642 flat angles P-C4'-P energy: -77.548 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2922.986791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.986791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.986791 (E_RNA) where: Base-Base interactions energy: -1997.550 where: short stacking energy: -828.937 Base-Backbone interact. energy: -4.853 local terms energy: -920.583325 where: bonds (distance) C4'-P energy: -175.625 bonds (distance) P-C4' energy: -166.851 flat angles C4'-P-C4' energy: -190.307 flat angles P-C4'-P energy: -127.332 tors. eta vs tors. theta energy: -260.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2795.977769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.977769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.977769 (E_RNA) where: Base-Base interactions energy: -1892.724 where: short stacking energy: -823.331 Base-Backbone interact. energy: -4.751 local terms energy: -898.502760 where: bonds (distance) C4'-P energy: -156.439 bonds (distance) P-C4' energy: -174.428 flat angles C4'-P-C4' energy: -197.748 flat angles P-C4'-P energy: -125.423 tors. eta vs tors. theta energy: -244.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2641.849842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.849842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.849842 (E_RNA) where: Base-Base interactions energy: -1807.204 where: short stacking energy: -766.592 Base-Backbone interact. energy: -2.830 local terms energy: -831.816007 where: bonds (distance) C4'-P energy: -148.385 bonds (distance) P-C4' energy: -164.279 flat angles C4'-P-C4' energy: -177.303 flat angles P-C4'-P energy: -116.145 tors. eta vs tors. theta energy: -225.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2465.515308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.515308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.515308 (E_RNA) where: Base-Base interactions energy: -1663.686 where: short stacking energy: -701.888 Base-Backbone interact. energy: 0.903 local terms energy: -802.732372 where: bonds (distance) C4'-P energy: -155.782 bonds (distance) P-C4' energy: -160.189 flat angles C4'-P-C4' energy: -177.870 flat angles P-C4'-P energy: -109.520 tors. eta vs tors. theta energy: -199.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2305.411698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.411698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.411698 (E_RNA) where: Base-Base interactions energy: -1545.069 where: short stacking energy: -658.198 Base-Backbone interact. energy: -4.154 local terms energy: -756.188557 where: bonds (distance) C4'-P energy: -132.933 bonds (distance) P-C4' energy: -146.458 flat angles C4'-P-C4' energy: -164.637 flat angles P-C4'-P energy: -107.893 tors. eta vs tors. theta energy: -204.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2200.119739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.119739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.119739 (E_RNA) where: Base-Base interactions energy: -1456.967 where: short stacking energy: -611.370 Base-Backbone interact. energy: -2.504 local terms energy: -740.648872 where: bonds (distance) C4'-P energy: -134.235 bonds (distance) P-C4' energy: -155.987 flat angles C4'-P-C4' energy: -169.832 flat angles P-C4'-P energy: -102.091 tors. eta vs tors. theta energy: -178.504 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: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1814.561512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.561512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.561512 (E_RNA) where: Base-Base interactions energy: -1186.480 where: short stacking energy: -508.896 Base-Backbone interact. energy: 0.560 local terms energy: -628.641856 where: bonds (distance) C4'-P energy: -143.561 bonds (distance) P-C4' energy: -119.437 flat angles C4'-P-C4' energy: -163.655 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -118.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1561.109758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.109758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.109758 (E_RNA) where: Base-Base interactions energy: -991.253 where: short stacking energy: -443.855 Base-Backbone interact. energy: 3.202 local terms energy: -573.059616 where: bonds (distance) C4'-P energy: -123.504 bonds (distance) P-C4' energy: -149.533 flat angles C4'-P-C4' energy: -136.526 flat angles P-C4'-P energy: -71.599 tors. eta vs tors. theta energy: -91.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1197.869343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.869343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.869343 (E_RNA) where: Base-Base interactions energy: -685.055 where: short stacking energy: -343.784 Base-Backbone interact. energy: 0.580 local terms energy: -513.394620 where: bonds (distance) C4'-P energy: -133.139 bonds (distance) P-C4' energy: -131.337 flat angles C4'-P-C4' energy: -153.373 flat angles P-C4'-P energy: -70.082 tors. eta vs tors. theta energy: -25.464 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: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -915.766616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.766616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.766616 (E_RNA) where: Base-Base interactions energy: -434.329 where: short stacking energy: -216.597 Base-Backbone interact. energy: 3.947 local terms energy: -485.384872 where: bonds (distance) C4'-P energy: -142.500 bonds (distance) P-C4' energy: -145.577 flat angles C4'-P-C4' energy: -133.248 flat angles P-C4'-P energy: -79.702 tors. eta vs tors. theta energy: 15.642 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: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2936.045105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.045105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.045105 (E_RNA) where: Base-Base interactions energy: -2020.450 where: short stacking energy: -852.801 Base-Backbone interact. energy: -3.807 local terms energy: -911.787245 where: bonds (distance) C4'-P energy: -169.704 bonds (distance) P-C4' energy: -166.518 flat angles C4'-P-C4' energy: -185.406 flat angles P-C4'-P energy: -123.327 tors. eta vs tors. theta energy: -266.832 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: 354 Temperature: 0.950000 Total energy: -2794.969327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.969327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.969327 (E_RNA) where: Base-Base interactions energy: -1909.306 where: short stacking energy: -849.700 Base-Backbone interact. energy: -3.943 local terms energy: -881.720139 where: bonds (distance) C4'-P energy: -155.615 bonds (distance) P-C4' energy: -158.715 flat angles C4'-P-C4' energy: -194.157 flat angles P-C4'-P energy: -119.294 tors. eta vs tors. theta energy: -253.939 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: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2615.121518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.121518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.121518 (E_RNA) where: Base-Base interactions energy: -1785.561 where: short stacking energy: -762.951 Base-Backbone interact. energy: -1.071 local terms energy: -828.489224 where: bonds (distance) C4'-P energy: -158.940 bonds (distance) P-C4' energy: -149.545 flat angles C4'-P-C4' energy: -172.993 flat angles P-C4'-P energy: -122.939 tors. eta vs tors. theta energy: -224.072 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: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2446.041663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.041663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.041663 (E_RNA) where: Base-Base interactions energy: -1680.054 where: short stacking energy: -698.245 Base-Backbone interact. energy: -4.627 local terms energy: -761.360321 where: bonds (distance) C4'-P energy: -134.557 bonds (distance) P-C4' energy: -141.244 flat angles C4'-P-C4' energy: -184.084 flat angles P-C4'-P energy: -124.434 tors. eta vs tors. theta energy: -177.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2358.568040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.568040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.568040 (E_RNA) where: Base-Base interactions energy: -1594.547 where: short stacking energy: -672.994 Base-Backbone interact. energy: -0.008 local terms energy: -764.013542 where: bonds (distance) C4'-P energy: -151.816 bonds (distance) P-C4' energy: -142.242 flat angles C4'-P-C4' energy: -163.542 flat angles P-C4'-P energy: -111.727 tors. eta vs tors. theta energy: -194.687 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: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2218.318813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.318813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.318813 (E_RNA) where: Base-Base interactions energy: -1466.519 where: short stacking energy: -648.120 Base-Backbone interact. energy: 0.951 local terms energy: -752.750476 where: bonds (distance) C4'-P energy: -151.115 bonds (distance) P-C4' energy: -155.029 flat angles C4'-P-C4' energy: -160.769 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: -185.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1762.930242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.930242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.930242 (E_RNA) where: Base-Base interactions energy: -1099.515 where: short stacking energy: -496.318 Base-Backbone interact. energy: 0.147 local terms energy: -663.562157 where: bonds (distance) C4'-P energy: -150.317 bonds (distance) P-C4' energy: -147.110 flat angles C4'-P-C4' energy: -149.494 flat angles P-C4'-P energy: -95.248 tors. eta vs tors. theta energy: -121.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1591.537603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.537603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.537603 (E_RNA) where: Base-Base interactions energy: -1001.482 where: short stacking energy: -432.608 Base-Backbone interact. energy: 4.602 local terms energy: -594.657784 where: bonds (distance) C4'-P energy: -129.165 bonds (distance) P-C4' energy: -145.512 flat angles C4'-P-C4' energy: -141.468 flat angles P-C4'-P energy: -93.905 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: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1260.630771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.630771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.630771 (E_RNA) where: Base-Base interactions energy: -723.889 where: short stacking energy: -340.816 Base-Backbone interact. energy: -0.883 local terms energy: -535.859002 where: bonds (distance) C4'-P energy: -131.991 bonds (distance) P-C4' energy: -140.750 flat angles C4'-P-C4' energy: -124.238 flat angles P-C4'-P energy: -102.708 tors. eta vs tors. theta energy: -36.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -950.401209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.401209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.401209 (E_RNA) where: Base-Base interactions energy: -454.721 where: short stacking energy: -231.957 Base-Backbone interact. energy: -1.554 local terms energy: -494.126698 where: bonds (distance) C4'-P energy: -146.330 bonds (distance) P-C4' energy: -130.622 flat angles C4'-P-C4' energy: -131.097 flat angles P-C4'-P energy: -84.324 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2926.702165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.702165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.702165 (E_RNA) where: Base-Base interactions energy: -2039.040 where: short stacking energy: -857.031 Base-Backbone interact. energy: -2.779 local terms energy: -884.883054 where: bonds (distance) C4'-P energy: -157.391 bonds (distance) P-C4' energy: -152.156 flat angles C4'-P-C4' energy: -171.497 flat angles P-C4'-P energy: -141.245 tors. eta vs tors. theta energy: -262.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2762.700646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.700646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.700646 (E_RNA) where: Base-Base interactions energy: -1888.349 where: short stacking energy: -815.611 Base-Backbone interact. energy: -1.487 local terms energy: -872.864191 where: bonds (distance) C4'-P energy: -153.889 bonds (distance) P-C4' energy: -169.715 flat angles C4'-P-C4' energy: -183.964 flat angles P-C4'-P energy: -119.788 tors. eta vs tors. theta energy: -245.508 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: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2659.413141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.413141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.413141 (E_RNA) where: Base-Base interactions energy: -1832.169 where: short stacking energy: -749.713 Base-Backbone interact. energy: -4.914 local terms energy: -822.329913 where: bonds (distance) C4'-P energy: -157.846 bonds (distance) P-C4' energy: -143.790 flat angles C4'-P-C4' energy: -189.255 flat angles P-C4'-P energy: -114.455 tors. eta vs tors. theta energy: -216.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2514.125689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.125689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.125689 (E_RNA) where: Base-Base interactions energy: -1714.260 where: short stacking energy: -738.254 Base-Backbone interact. energy: -1.302 local terms energy: -798.563487 where: bonds (distance) C4'-P energy: -144.720 bonds (distance) P-C4' energy: -150.823 flat angles C4'-P-C4' energy: -180.188 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -206.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2395.808748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.808748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.808748 (E_RNA) where: Base-Base interactions energy: -1624.680 where: short stacking energy: -685.002 Base-Backbone interact. energy: -2.417 local terms energy: -768.712360 where: bonds (distance) C4'-P energy: -128.484 bonds (distance) P-C4' energy: -160.843 flat angles C4'-P-C4' energy: -166.372 flat angles P-C4'-P energy: -101.484 tors. eta vs tors. theta energy: -211.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2240.260263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.260263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.260263 (E_RNA) where: Base-Base interactions energy: -1492.157 where: short stacking energy: -666.745 Base-Backbone interact. energy: 0.703 local terms energy: -748.806487 where: bonds (distance) C4'-P energy: -154.289 bonds (distance) P-C4' energy: -140.789 flat angles C4'-P-C4' energy: -166.754 flat angles P-C4'-P energy: -92.710 tors. eta vs tors. theta energy: -194.265 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: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1847.034608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.034608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.034608 (E_RNA) where: Base-Base interactions energy: -1184.020 where: short stacking energy: -556.422 Base-Backbone interact. energy: -3.348 local terms energy: -659.666147 where: bonds (distance) C4'-P energy: -145.893 bonds (distance) P-C4' energy: -138.480 flat angles C4'-P-C4' energy: -150.140 flat angles P-C4'-P energy: -94.491 tors. eta vs tors. theta energy: -130.663 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: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1585.033209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.033209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.033209 (E_RNA) where: Base-Base interactions energy: -958.914 where: short stacking energy: -418.929 Base-Backbone interact. energy: -0.118 local terms energy: -626.001686 where: bonds (distance) C4'-P energy: -114.178 bonds (distance) P-C4' energy: -159.113 flat angles C4'-P-C4' energy: -164.563 flat angles P-C4'-P energy: -92.668 tors. eta vs tors. theta energy: -95.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1275.393148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.393148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.393148 (E_RNA) where: Base-Base interactions energy: -772.753 where: short stacking energy: -355.449 Base-Backbone interact. energy: 4.945 local terms energy: -507.584738 where: bonds (distance) C4'-P energy: -131.174 bonds (distance) P-C4' energy: -140.178 flat angles C4'-P-C4' energy: -119.870 flat angles P-C4'-P energy: -83.062 tors. eta vs tors. theta energy: -33.301 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: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -924.224129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.224129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.224129 (E_RNA) where: Base-Base interactions energy: -486.517 where: short stacking energy: -259.282 Base-Backbone interact. energy: 1.911 local terms energy: -439.618612 where: bonds (distance) C4'-P energy: -105.861 bonds (distance) P-C4' energy: -134.640 flat angles C4'-P-C4' energy: -124.449 flat angles P-C4'-P energy: -65.151 tors. eta vs tors. theta energy: -9.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2930.622515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.622515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.622515 (E_RNA) where: Base-Base interactions energy: -1996.570 where: short stacking energy: -830.382 Base-Backbone interact. energy: -2.090 local terms energy: -931.962808 where: bonds (distance) C4'-P energy: -176.168 bonds (distance) P-C4' energy: -167.707 flat angles C4'-P-C4' energy: -203.275 flat angles P-C4'-P energy: -124.417 tors. eta vs tors. theta energy: -260.395 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: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2734.743659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.743659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.743659 (E_RNA) where: Base-Base interactions energy: -1849.270 where: short stacking energy: -796.412 Base-Backbone interact. energy: -3.725 local terms energy: -881.748749 where: bonds (distance) C4'-P energy: -147.918 bonds (distance) P-C4' energy: -157.267 flat angles C4'-P-C4' energy: -186.070 flat angles P-C4'-P energy: -129.152 tors. eta vs tors. theta energy: -261.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2674.807198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.807198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.807198 (E_RNA) where: Base-Base interactions energy: -1818.910 where: short stacking energy: -746.126 Base-Backbone interact. energy: -4.452 local terms energy: -851.444947 where: bonds (distance) C4'-P energy: -162.184 bonds (distance) P-C4' energy: -161.130 flat angles C4'-P-C4' energy: -181.931 flat angles P-C4'-P energy: -113.959 tors. eta vs tors. theta energy: -232.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2491.485152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.485152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.485152 (E_RNA) where: Base-Base interactions energy: -1675.489 where: short stacking energy: -699.487 Base-Backbone interact. energy: -4.148 local terms energy: -811.848162 where: bonds (distance) C4'-P energy: -155.450 bonds (distance) P-C4' energy: -158.548 flat angles C4'-P-C4' energy: -164.200 flat angles P-C4'-P energy: -128.156 tors. eta vs tors. theta energy: -205.493 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: 5, replica: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2396.396066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.396066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.396066 (E_RNA) where: Base-Base interactions energy: -1639.876 where: short stacking energy: -697.423 Base-Backbone interact. energy: -2.751 local terms energy: -753.769065 where: bonds (distance) C4'-P energy: -147.307 bonds (distance) P-C4' energy: -151.719 flat angles C4'-P-C4' energy: -160.953 flat angles P-C4'-P energy: -91.713 tors. eta vs tors. theta energy: -202.077 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: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2210.438332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.438332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.438332 (E_RNA) where: Base-Base interactions energy: -1481.509 where: short stacking energy: -639.755 Base-Backbone interact. energy: -1.813 local terms energy: -727.116285 where: bonds (distance) C4'-P energy: -159.575 bonds (distance) P-C4' energy: -131.793 flat angles C4'-P-C4' energy: -160.394 flat angles P-C4'-P energy: -91.531 tors. eta vs tors. theta energy: -183.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1817.714077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.714077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.714077 (E_RNA) where: Base-Base interactions energy: -1191.311 where: short stacking energy: -535.892 Base-Backbone interact. energy: 2.348 local terms energy: -628.751045 where: bonds (distance) C4'-P energy: -145.687 bonds (distance) P-C4' energy: -142.593 flat angles C4'-P-C4' energy: -146.721 flat angles P-C4'-P energy: -86.418 tors. eta vs tors. theta energy: -107.331 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: 356 Temperature: 1.250000 Total energy: -1448.944595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.944595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.944595 (E_RNA) where: Base-Base interactions energy: -901.784 where: short stacking energy: -407.137 Base-Backbone interact. energy: -0.110 local terms energy: -547.050677 where: bonds (distance) C4'-P energy: -137.056 bonds (distance) P-C4' energy: -134.685 flat angles C4'-P-C4' energy: -120.249 flat angles P-C4'-P energy: -72.115 tors. eta vs tors. theta energy: -82.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1144.685331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.685331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.685331 (E_RNA) where: Base-Base interactions energy: -659.537 where: short stacking energy: -313.095 Base-Backbone interact. energy: 5.319 local terms energy: -490.467471 where: bonds (distance) C4'-P energy: -141.021 bonds (distance) P-C4' energy: -108.769 flat angles C4'-P-C4' energy: -140.316 flat angles P-C4'-P energy: -74.744 tors. eta vs tors. theta energy: -25.616 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: 10, replica: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -925.636068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.636068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.636068 (E_RNA) where: Base-Base interactions energy: -478.585 where: short stacking energy: -286.827 Base-Backbone interact. energy: 3.196 local terms energy: -450.246736 where: bonds (distance) C4'-P energy: -107.144 bonds (distance) P-C4' energy: -138.514 flat angles C4'-P-C4' energy: -111.144 flat angles P-C4'-P energy: -76.921 tors. eta vs tors. theta energy: -16.524 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: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2936.125139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.125139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.125139 (E_RNA) where: Base-Base interactions energy: -2036.721 where: short stacking energy: -851.554 Base-Backbone interact. energy: 2.148 local terms energy: -901.551654 where: bonds (distance) C4'-P energy: -163.457 bonds (distance) P-C4' energy: -171.800 flat angles C4'-P-C4' energy: -179.048 flat angles P-C4'-P energy: -117.023 tors. eta vs tors. theta energy: -270.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2720.515038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.515038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.515038 (E_RNA) where: Base-Base interactions energy: -1835.631 where: short stacking energy: -793.228 Base-Backbone interact. energy: -2.006 local terms energy: -882.877355 where: bonds (distance) C4'-P energy: -172.620 bonds (distance) P-C4' energy: -153.555 flat angles C4'-P-C4' energy: -186.141 flat angles P-C4'-P energy: -134.516 tors. eta vs tors. theta energy: -236.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2674.506776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.506776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.506776 (E_RNA) where: Base-Base interactions energy: -1849.365 where: short stacking energy: -730.217 Base-Backbone interact. energy: -6.290 local terms energy: -818.852287 where: bonds (distance) C4'-P energy: -154.332 bonds (distance) P-C4' energy: -151.603 flat angles C4'-P-C4' energy: -177.791 flat angles P-C4'-P energy: -111.495 tors. eta vs tors. theta energy: -223.631 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: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2483.950046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.950046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.950046 (E_RNA) where: Base-Base interactions energy: -1688.919 where: short stacking energy: -692.521 Base-Backbone interact. energy: -2.585 local terms energy: -792.446005 where: bonds (distance) C4'-P energy: -161.554 bonds (distance) P-C4' energy: -144.739 flat angles C4'-P-C4' energy: -183.072 flat angles P-C4'-P energy: -114.761 tors. eta vs tors. theta energy: -188.320 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: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2361.414742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.414742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.414742 (E_RNA) where: Base-Base interactions energy: -1588.934 where: short stacking energy: -695.555 Base-Backbone interact. energy: -0.381 local terms energy: -772.099811 where: bonds (distance) C4'-P energy: -135.306 bonds (distance) P-C4' energy: -153.137 flat angles C4'-P-C4' energy: -183.656 flat angles P-C4'-P energy: -101.283 tors. eta vs tors. theta energy: -198.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2237.089651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.089651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.089651 (E_RNA) where: Base-Base interactions energy: -1489.091 where: short stacking energy: -666.075 Base-Backbone interact. energy: -2.537 local terms energy: -745.461775 where: bonds (distance) C4'-P energy: -140.251 bonds (distance) P-C4' energy: -150.196 flat angles C4'-P-C4' energy: -161.266 flat angles P-C4'-P energy: -99.700 tors. eta vs tors. theta energy: -194.048 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: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1769.741134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.741134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.741134 (E_RNA) where: Base-Base interactions energy: -1146.854 where: short stacking energy: -515.764 Base-Backbone interact. energy: 2.564 local terms energy: -625.450482 where: bonds (distance) C4'-P energy: -124.170 bonds (distance) P-C4' energy: -131.589 flat angles C4'-P-C4' energy: -157.734 flat angles P-C4'-P energy: -90.240 tors. eta vs tors. theta energy: -121.718 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: 357 Temperature: 1.250000 Total energy: -1576.423272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.423272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.423272 (E_RNA) where: Base-Base interactions energy: -1011.739 where: short stacking energy: -466.738 Base-Backbone interact. energy: 1.228 local terms energy: -565.912215 where: bonds (distance) C4'-P energy: -118.842 bonds (distance) P-C4' energy: -136.362 flat angles C4'-P-C4' energy: -139.581 flat angles P-C4'-P energy: -89.337 tors. eta vs tors. theta energy: -81.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1139.524830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.524830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.524830 (E_RNA) where: Base-Base interactions energy: -627.868 where: short stacking energy: -298.898 Base-Backbone interact. energy: -2.222 local terms energy: -509.434719 where: bonds (distance) C4'-P energy: -137.411 bonds (distance) P-C4' energy: -133.367 flat angles C4'-P-C4' energy: -137.693 flat angles P-C4'-P energy: -69.169 tors. eta vs tors. theta energy: -31.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -913.854544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.854544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.854544 (E_RNA) where: Base-Base interactions energy: -462.701 where: short stacking energy: -242.706 Base-Backbone interact. energy: -1.398 local terms energy: -449.755188 where: bonds (distance) C4'-P energy: -113.993 bonds (distance) P-C4' energy: -150.785 flat angles C4'-P-C4' energy: -119.217 flat angles P-C4'-P energy: -86.825 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: 1, replica: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2984.215512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.215512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.215512 (E_RNA) where: Base-Base interactions energy: -2027.916 where: short stacking energy: -874.438 Base-Backbone interact. energy: -3.579 local terms energy: -952.721286 where: bonds (distance) C4'-P energy: -171.246 bonds (distance) P-C4' energy: -184.099 flat angles C4'-P-C4' energy: -188.919 flat angles P-C4'-P energy: -132.202 tors. eta vs tors. theta energy: -276.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2743.138049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.138049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.138049 (E_RNA) where: Base-Base interactions energy: -1853.011 where: short stacking energy: -842.833 Base-Backbone interact. energy: -3.742 local terms energy: -886.384661 where: bonds (distance) C4'-P energy: -153.824 bonds (distance) P-C4' energy: -154.431 flat angles C4'-P-C4' energy: -193.877 flat angles P-C4'-P energy: -130.355 tors. eta vs tors. theta energy: -253.897 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: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2652.345382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.345382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.345382 (E_RNA) where: Base-Base interactions energy: -1837.627 where: short stacking energy: -740.003 Base-Backbone interact. energy: -3.923 local terms energy: -810.794567 where: bonds (distance) C4'-P energy: -157.361 bonds (distance) P-C4' energy: -157.462 flat angles C4'-P-C4' energy: -175.684 flat angles P-C4'-P energy: -110.700 tors. eta vs tors. theta energy: -209.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2449.012966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.012966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.012966 (E_RNA) where: Base-Base interactions energy: -1669.274 where: short stacking energy: -690.733 Base-Backbone interact. energy: -2.008 local terms energy: -777.730988 where: bonds (distance) C4'-P energy: -146.483 bonds (distance) P-C4' energy: -148.911 flat angles C4'-P-C4' energy: -160.652 flat angles P-C4'-P energy: -120.849 tors. eta vs tors. theta energy: -200.837 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: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2300.818553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.818553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.818553 (E_RNA) where: Base-Base interactions energy: -1567.856 where: short stacking energy: -664.539 Base-Backbone interact. energy: -2.840 local terms energy: -730.121971 where: bonds (distance) C4'-P energy: -143.622 bonds (distance) P-C4' energy: -146.762 flat angles C4'-P-C4' energy: -154.624 flat angles P-C4'-P energy: -100.989 tors. eta vs tors. theta energy: -184.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2238.672823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.672823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.672823 (E_RNA) where: Base-Base interactions energy: -1498.315 where: short stacking energy: -664.686 Base-Backbone interact. energy: -3.085 local terms energy: -737.273001 where: bonds (distance) C4'-P energy: -128.142 bonds (distance) P-C4' energy: -154.558 flat angles C4'-P-C4' energy: -159.098 flat angles P-C4'-P energy: -114.830 tors. eta vs tors. theta energy: -180.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1797.913501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.913501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.913501 (E_RNA) where: Base-Base interactions energy: -1121.230 where: short stacking energy: -484.171 Base-Backbone interact. energy: -5.525 local terms energy: -671.158149 where: bonds (distance) C4'-P energy: -147.552 bonds (distance) P-C4' energy: -133.518 flat angles C4'-P-C4' energy: -159.730 flat angles P-C4'-P energy: -114.174 tors. eta vs tors. theta energy: -116.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1545.402039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.402039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.402039 (E_RNA) where: Base-Base interactions energy: -946.553 where: short stacking energy: -426.454 Base-Backbone interact. energy: -2.395 local terms energy: -596.454008 where: bonds (distance) C4'-P energy: -154.557 bonds (distance) P-C4' energy: -141.572 flat angles C4'-P-C4' energy: -132.502 flat angles P-C4'-P energy: -75.982 tors. eta vs tors. theta energy: -91.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1175.732807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.732807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.732807 (E_RNA) where: Base-Base interactions energy: -674.521 where: short stacking energy: -302.821 Base-Backbone interact. energy: 2.815 local terms energy: -504.027188 where: bonds (distance) C4'-P energy: -129.702 bonds (distance) P-C4' energy: -149.977 flat angles C4'-P-C4' energy: -119.374 flat angles P-C4'-P energy: -72.931 tors. eta vs tors. theta energy: -32.043 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: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -955.137314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.137314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.137314 (E_RNA) where: Base-Base interactions energy: -507.489 where: short stacking energy: -269.757 Base-Backbone interact. energy: 2.199 local terms energy: -449.847086 where: bonds (distance) C4'-P energy: -121.648 bonds (distance) P-C4' energy: -151.039 flat angles C4'-P-C4' energy: -115.319 flat angles P-C4'-P energy: -53.786 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2949.776810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.776810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.776810 (E_RNA) where: Base-Base interactions energy: -2050.712 where: short stacking energy: -872.249 Base-Backbone interact. energy: -1.585 local terms energy: -897.479805 where: bonds (distance) C4'-P energy: -165.292 bonds (distance) P-C4' energy: -152.645 flat angles C4'-P-C4' energy: -194.087 flat angles P-C4'-P energy: -123.065 tors. eta vs tors. theta energy: -262.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2749.970207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.970207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.970207 (E_RNA) where: Base-Base interactions energy: -1855.700 where: short stacking energy: -809.124 Base-Backbone interact. energy: -5.915 local terms energy: -888.355097 where: bonds (distance) C4'-P energy: -172.535 bonds (distance) P-C4' energy: -171.821 flat angles C4'-P-C4' energy: -180.471 flat angles P-C4'-P energy: -111.520 tors. eta vs tors. theta energy: -252.008 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: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2642.823267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.823267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.823267 (E_RNA) where: Base-Base interactions energy: -1806.462 where: short stacking energy: -735.447 Base-Backbone interact. energy: 1.012 local terms energy: -837.373623 where: bonds (distance) C4'-P energy: -148.430 bonds (distance) P-C4' energy: -175.067 flat angles C4'-P-C4' energy: -177.968 flat angles P-C4'-P energy: -118.915 tors. eta vs tors. theta energy: -216.994 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: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2493.449040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.449040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.449040 (E_RNA) where: Base-Base interactions energy: -1737.758 where: short stacking energy: -695.476 Base-Backbone interact. energy: -3.865 local terms energy: -751.825989 where: bonds (distance) C4'-P energy: -134.283 bonds (distance) P-C4' energy: -133.427 flat angles C4'-P-C4' energy: -172.066 flat angles P-C4'-P energy: -110.416 tors. eta vs tors. theta energy: -201.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2394.920794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.920794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.920794 (E_RNA) where: Base-Base interactions energy: -1599.588 where: short stacking energy: -681.580 Base-Backbone interact. energy: -4.835 local terms energy: -790.498349 where: bonds (distance) C4'-P energy: -149.771 bonds (distance) P-C4' energy: -162.905 flat angles C4'-P-C4' energy: -167.942 flat angles P-C4'-P energy: -106.044 tors. eta vs tors. theta energy: -203.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2204.772252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.772252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.772252 (E_RNA) where: Base-Base interactions energy: -1500.036 where: short stacking energy: -644.124 Base-Backbone interact. energy: -1.579 local terms energy: -703.157202 where: bonds (distance) C4'-P energy: -113.702 bonds (distance) P-C4' energy: -157.384 flat angles C4'-P-C4' energy: -150.841 flat angles P-C4'-P energy: -98.834 tors. eta vs tors. theta energy: -182.396 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: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1803.939218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.939218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.939218 (E_RNA) where: Base-Base interactions energy: -1170.019 where: short stacking energy: -514.432 Base-Backbone interact. energy: -0.898 local terms energy: -633.022544 where: bonds (distance) C4'-P energy: -135.140 bonds (distance) P-C4' energy: -160.490 flat angles C4'-P-C4' energy: -150.426 flat angles P-C4'-P energy: -68.707 tors. eta vs tors. theta energy: -118.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1615.931084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.931084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.931084 (E_RNA) where: Base-Base interactions energy: -995.589 where: short stacking energy: -473.291 Base-Backbone interact. energy: -1.497 local terms energy: -618.845370 where: bonds (distance) C4'-P energy: -140.061 bonds (distance) P-C4' energy: -150.981 flat angles C4'-P-C4' energy: -136.395 flat angles P-C4'-P energy: -90.586 tors. eta vs tors. theta energy: -100.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1192.627118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.627118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.627118 (E_RNA) where: Base-Base interactions energy: -704.602 where: short stacking energy: -349.325 Base-Backbone interact. energy: 1.530 local terms energy: -489.554485 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -153.441 flat angles C4'-P-C4' energy: -108.702 flat angles P-C4'-P energy: -84.007 tors. eta vs tors. theta energy: -33.680 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: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -953.910358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.910358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.910358 (E_RNA) where: Base-Base interactions energy: -491.676 where: short stacking energy: -256.986 Base-Backbone interact. energy: -2.507 local terms energy: -459.726418 where: bonds (distance) C4'-P energy: -111.513 bonds (distance) P-C4' energy: -143.590 flat angles C4'-P-C4' energy: -126.968 flat angles P-C4'-P energy: -71.174 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: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2945.212125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.212125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.212125 (E_RNA) where: Base-Base interactions energy: -2005.676 where: short stacking energy: -836.256 Base-Backbone interact. energy: -5.993 local terms energy: -933.542990 where: bonds (distance) C4'-P energy: -167.554 bonds (distance) P-C4' energy: -170.204 flat angles C4'-P-C4' energy: -206.403 flat angles P-C4'-P energy: -126.745 tors. eta vs tors. theta energy: -262.637 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: 360 Temperature: 0.950000 Total energy: -2756.125755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.125755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.125755 (E_RNA) where: Base-Base interactions energy: -1877.925 where: short stacking energy: -822.387 Base-Backbone interact. energy: -1.878 local terms energy: -876.323136 where: bonds (distance) C4'-P energy: -153.069 bonds (distance) P-C4' energy: -159.310 flat angles C4'-P-C4' energy: -193.551 flat angles P-C4'-P energy: -122.252 tors. eta vs tors. theta energy: -248.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2670.969866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.969866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.969866 (E_RNA) where: Base-Base interactions energy: -1839.908 where: short stacking energy: -749.601 Base-Backbone interact. energy: -3.746 local terms energy: -827.316190 where: bonds (distance) C4'-P energy: -157.897 bonds (distance) P-C4' energy: -164.770 flat angles C4'-P-C4' energy: -171.524 flat angles P-C4'-P energy: -118.030 tors. eta vs tors. theta energy: -215.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2532.028661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.028661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.028661 (E_RNA) where: Base-Base interactions energy: -1725.327 where: short stacking energy: -749.886 Base-Backbone interact. energy: 3.866 local terms energy: -810.567310 where: bonds (distance) C4'-P energy: -141.951 bonds (distance) P-C4' energy: -164.758 flat angles C4'-P-C4' energy: -167.813 flat angles P-C4'-P energy: -116.809 tors. eta vs tors. theta energy: -219.236 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: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2358.433985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.433985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.433985 (E_RNA) where: Base-Base interactions energy: -1607.917 where: short stacking energy: -716.291 Base-Backbone interact. energy: -0.309 local terms energy: -750.207025 where: bonds (distance) C4'-P energy: -122.297 bonds (distance) P-C4' energy: -160.196 flat angles C4'-P-C4' energy: -174.447 flat angles P-C4'-P energy: -101.524 tors. eta vs tors. theta energy: -191.744 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: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2144.676209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.676209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.676209 (E_RNA) where: Base-Base interactions energy: -1441.459 where: short stacking energy: -632.659 Base-Backbone interact. energy: -4.486 local terms energy: -698.731090 where: bonds (distance) C4'-P energy: -133.293 bonds (distance) P-C4' energy: -137.643 flat angles C4'-P-C4' energy: -156.260 flat angles P-C4'-P energy: -99.080 tors. eta vs tors. theta energy: -172.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1812.086704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.086704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.086704 (E_RNA) where: Base-Base interactions energy: -1170.298 where: short stacking energy: -517.330 Base-Backbone interact. energy: -1.667 local terms energy: -640.121369 where: bonds (distance) C4'-P energy: -127.399 bonds (distance) P-C4' energy: -133.904 flat angles C4'-P-C4' energy: -161.082 flat angles P-C4'-P energy: -96.207 tors. eta vs tors. theta energy: -121.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1568.515623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.515623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.515623 (E_RNA) where: Base-Base interactions energy: -990.801 where: short stacking energy: -431.477 Base-Backbone interact. energy: 0.338 local terms energy: -578.052619 where: bonds (distance) C4'-P energy: -138.540 bonds (distance) P-C4' energy: -145.997 flat angles C4'-P-C4' energy: -123.238 flat angles P-C4'-P energy: -88.349 tors. eta vs tors. theta energy: -81.929 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: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1089.202528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.202528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.202528 (E_RNA) where: Base-Base interactions energy: -598.218 where: short stacking energy: -303.529 Base-Backbone interact. energy: -2.718 local terms energy: -488.265923 where: bonds (distance) C4'-P energy: -125.702 bonds (distance) P-C4' energy: -133.099 flat angles C4'-P-C4' energy: -135.615 flat angles P-C4'-P energy: -75.060 tors. eta vs tors. theta energy: -18.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -959.259631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.259631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.259631 (E_RNA) where: Base-Base interactions energy: -462.319 where: short stacking energy: -240.009 Base-Backbone interact. energy: 0.449 local terms energy: -497.389839 where: bonds (distance) C4'-P energy: -104.798 bonds (distance) P-C4' energy: -163.068 flat angles C4'-P-C4' energy: -130.628 flat angles P-C4'-P energy: -74.562 tors. eta vs tors. theta energy: -24.334 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: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2966.746760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.746760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.746760 (E_RNA) where: Base-Base interactions energy: -2039.779 where: short stacking energy: -859.858 Base-Backbone interact. energy: -2.970 local terms energy: -923.997719 where: bonds (distance) C4'-P energy: -170.784 bonds (distance) P-C4' energy: -167.815 flat angles C4'-P-C4' energy: -199.224 flat angles P-C4'-P energy: -122.688 tors. eta vs tors. theta energy: -263.487 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: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2759.985339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.985339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.985339 (E_RNA) where: Base-Base interactions energy: -1891.463 where: short stacking energy: -812.547 Base-Backbone interact. energy: -2.742 local terms energy: -865.780247 where: bonds (distance) C4'-P energy: -167.338 bonds (distance) P-C4' energy: -156.066 flat angles C4'-P-C4' energy: -184.061 flat angles P-C4'-P energy: -116.139 tors. eta vs tors. theta energy: -242.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2624.655154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.655154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.655154 (E_RNA) where: Base-Base interactions energy: -1819.902 where: short stacking energy: -782.749 Base-Backbone interact. energy: -2.233 local terms energy: -802.519934 where: bonds (distance) C4'-P energy: -149.483 bonds (distance) P-C4' energy: -143.118 flat angles C4'-P-C4' energy: -186.828 flat angles P-C4'-P energy: -103.779 tors. eta vs tors. theta energy: -219.312 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: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2576.701251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.701251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.701251 (E_RNA) where: Base-Base interactions energy: -1759.439 where: short stacking energy: -731.246 Base-Backbone interact. energy: -2.307 local terms energy: -814.956050 where: bonds (distance) C4'-P energy: -140.802 bonds (distance) P-C4' energy: -169.894 flat angles C4'-P-C4' energy: -180.727 flat angles P-C4'-P energy: -109.909 tors. eta vs tors. theta energy: -213.625 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: 9 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2410.456195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.456195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.456195 (E_RNA) where: Base-Base interactions energy: -1635.939 where: short stacking energy: -697.697 Base-Backbone interact. energy: -3.346 local terms energy: -771.171427 where: bonds (distance) C4'-P energy: -157.195 bonds (distance) P-C4' energy: -128.082 flat angles C4'-P-C4' energy: -174.407 flat angles P-C4'-P energy: -105.384 tors. eta vs tors. theta energy: -206.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2171.771260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.771260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.771260 (E_RNA) where: Base-Base interactions energy: -1457.269 where: short stacking energy: -635.207 Base-Backbone interact. energy: -3.690 local terms energy: -710.812358 where: bonds (distance) C4'-P energy: -140.205 bonds (distance) P-C4' energy: -127.994 flat angles C4'-P-C4' energy: -165.171 flat angles P-C4'-P energy: -101.593 tors. eta vs tors. theta energy: -175.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1790.000385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.000385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.000385 (E_RNA) where: Base-Base interactions energy: -1142.923 where: short stacking energy: -508.269 Base-Backbone interact. energy: -4.315 local terms energy: -642.761823 where: bonds (distance) C4'-P energy: -138.025 bonds (distance) P-C4' energy: -156.403 flat angles C4'-P-C4' energy: -150.608 flat angles P-C4'-P energy: -95.219 tors. eta vs tors. theta energy: -102.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1524.098453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.098453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.098453 (E_RNA) where: Base-Base interactions energy: -923.933 where: short stacking energy: -428.685 Base-Backbone interact. energy: -0.016 local terms energy: -600.149969 where: bonds (distance) C4'-P energy: -143.658 bonds (distance) P-C4' energy: -164.091 flat angles C4'-P-C4' energy: -132.184 flat angles P-C4'-P energy: -75.539 tors. eta vs tors. theta energy: -84.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1095.670554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.670554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.670554 (E_RNA) where: Base-Base interactions energy: -629.982 where: short stacking energy: -317.980 Base-Backbone interact. energy: 0.440 local terms energy: -466.128139 where: bonds (distance) C4'-P energy: -128.009 bonds (distance) P-C4' energy: -144.854 flat angles C4'-P-C4' energy: -112.337 flat angles P-C4'-P energy: -64.705 tors. eta vs tors. theta energy: -16.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1005.726474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.726474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.726474 (E_RNA) where: Base-Base interactions energy: -528.929 where: short stacking energy: -275.275 Base-Backbone interact. energy: -0.357 local terms energy: -476.440280 where: bonds (distance) C4'-P energy: -136.021 bonds (distance) P-C4' energy: -144.009 flat angles C4'-P-C4' energy: -112.118 flat angles P-C4'-P energy: -69.524 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: 1, replica: 3 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2927.021930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.021930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.021930 (E_RNA) where: Base-Base interactions energy: -2029.196 where: short stacking energy: -818.367 Base-Backbone interact. energy: -3.322 local terms energy: -894.504005 where: bonds (distance) C4'-P energy: -159.431 bonds (distance) P-C4' energy: -187.015 flat angles C4'-P-C4' energy: -189.141 flat angles P-C4'-P energy: -108.002 tors. eta vs tors. theta energy: -250.915 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: 362 Temperature: 0.950000 Total energy: -2813.017420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.017420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.017420 (E_RNA) where: Base-Base interactions energy: -1911.070 where: short stacking energy: -831.976 Base-Backbone interact. energy: -4.105 local terms energy: -897.841612 where: bonds (distance) C4'-P energy: -162.076 bonds (distance) P-C4' energy: -180.872 flat angles C4'-P-C4' energy: -186.776 flat angles P-C4'-P energy: -122.786 tors. eta vs tors. theta energy: -245.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2681.326669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.326669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.326669 (E_RNA) where: Base-Base interactions energy: -1845.215 where: short stacking energy: -741.830 Base-Backbone interact. energy: 3.928 local terms energy: -840.039290 where: bonds (distance) C4'-P energy: -161.625 bonds (distance) P-C4' energy: -165.501 flat angles C4'-P-C4' energy: -184.495 flat angles P-C4'-P energy: -109.516 tors. eta vs tors. theta energy: -218.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2548.793248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.793248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.793248 (E_RNA) where: Base-Base interactions energy: -1697.583 where: short stacking energy: -726.882 Base-Backbone interact. energy: -0.067 local terms energy: -851.142812 where: bonds (distance) C4'-P energy: -163.038 bonds (distance) P-C4' energy: -161.448 flat angles C4'-P-C4' energy: -182.204 flat angles P-C4'-P energy: -127.044 tors. eta vs tors. theta energy: -217.408 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: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2445.136008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.136008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.136008 (E_RNA) where: Base-Base interactions energy: -1638.333 where: short stacking energy: -724.611 Base-Backbone interact. energy: -2.481 local terms energy: -804.321844 where: bonds (distance) C4'-P energy: -138.243 bonds (distance) P-C4' energy: -153.756 flat angles C4'-P-C4' energy: -169.515 flat angles P-C4'-P energy: -127.346 tors. eta vs tors. theta energy: -215.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2177.927535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.927535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.927535 (E_RNA) where: Base-Base interactions energy: -1432.517 where: short stacking energy: -653.740 Base-Backbone interact. energy: -3.186 local terms energy: -742.224141 where: bonds (distance) C4'-P energy: -134.689 bonds (distance) P-C4' energy: -145.697 flat angles C4'-P-C4' energy: -175.917 flat angles P-C4'-P energy: -100.212 tors. eta vs tors. theta energy: -185.709 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: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1707.348548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.348548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.348548 (E_RNA) where: Base-Base interactions energy: -1075.666 where: short stacking energy: -444.531 Base-Backbone interact. energy: -5.171 local terms energy: -626.511652 where: bonds (distance) C4'-P energy: -155.756 bonds (distance) P-C4' energy: -153.245 flat angles C4'-P-C4' energy: -156.739 flat angles P-C4'-P energy: -54.018 tors. eta vs tors. theta energy: -106.754 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: 8, replica: 7 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1515.021179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.021179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.021179 (E_RNA) where: Base-Base interactions energy: -928.594 where: short stacking energy: -443.125 Base-Backbone interact. energy: 0.901 local terms energy: -587.327731 where: bonds (distance) C4'-P energy: -125.963 bonds (distance) P-C4' energy: -156.852 flat angles C4'-P-C4' energy: -133.464 flat angles P-C4'-P energy: -90.945 tors. eta vs tors. theta energy: -80.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1074.430065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.430065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.430065 (E_RNA) where: Base-Base interactions energy: -559.675 where: short stacking energy: -286.215 Base-Backbone interact. energy: -1.575 local terms energy: -513.179480 where: bonds (distance) C4'-P energy: -137.870 bonds (distance) P-C4' energy: -144.555 flat angles C4'-P-C4' energy: -140.609 flat angles P-C4'-P energy: -83.177 tors. eta vs tors. theta energy: -6.969 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: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -994.322848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.322848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.322848 (E_RNA) where: Base-Base interactions energy: -569.846 where: short stacking energy: -269.647 Base-Backbone interact. energy: 0.652 local terms energy: -425.128614 where: bonds (distance) C4'-P energy: -116.794 bonds (distance) P-C4' energy: -115.288 flat angles C4'-P-C4' energy: -136.325 flat angles P-C4'-P energy: -65.694 tors. eta vs tors. theta energy: 8.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2950.601433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.601433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.601433 (E_RNA) where: Base-Base interactions energy: -2053.684 where: short stacking energy: -841.266 Base-Backbone interact. energy: -1.964 local terms energy: -894.953828 where: bonds (distance) C4'-P energy: -168.239 bonds (distance) P-C4' energy: -157.656 flat angles C4'-P-C4' energy: -195.297 flat angles P-C4'-P energy: -130.175 tors. eta vs tors. theta energy: -243.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2770.981617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.981617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.981617 (E_RNA) where: Base-Base interactions energy: -1884.801 where: short stacking energy: -781.610 Base-Backbone interact. energy: -3.135 local terms energy: -883.045200 where: bonds (distance) C4'-P energy: -138.650 bonds (distance) P-C4' energy: -181.920 flat angles C4'-P-C4' energy: -194.460 flat angles P-C4'-P energy: -130.705 tors. eta vs tors. theta energy: -237.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2623.662750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.662750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.662750 (E_RNA) where: Base-Base interactions energy: -1786.231 where: short stacking energy: -750.916 Base-Backbone interact. energy: -2.513 local terms energy: -834.919240 where: bonds (distance) C4'-P energy: -157.635 bonds (distance) P-C4' energy: -177.210 flat angles C4'-P-C4' energy: -171.423 flat angles P-C4'-P energy: -113.460 tors. eta vs tors. theta energy: -215.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2488.913286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.913286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.913286 (E_RNA) where: Base-Base interactions energy: -1656.859 where: short stacking energy: -730.118 Base-Backbone interact. energy: -2.757 local terms energy: -829.296953 where: bonds (distance) C4'-P energy: -154.428 bonds (distance) P-C4' energy: -162.583 flat angles C4'-P-C4' energy: -176.570 flat angles P-C4'-P energy: -115.832 tors. eta vs tors. theta energy: -219.884 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: 5, replica: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2436.383495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.383495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.383495 (E_RNA) where: Base-Base interactions energy: -1664.692 where: short stacking energy: -729.139 Base-Backbone interact. energy: -2.170 local terms energy: -769.521528 where: bonds (distance) C4'-P energy: -132.350 bonds (distance) P-C4' energy: -154.692 flat angles C4'-P-C4' energy: -165.466 flat angles P-C4'-P energy: -103.385 tors. eta vs tors. theta energy: -213.628 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: 363 Temperature: 1.150000 Total energy: -2216.884713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.884713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.884713 (E_RNA) where: Base-Base interactions energy: -1448.357 where: short stacking energy: -657.219 Base-Backbone interact. energy: -0.531 local terms energy: -767.996968 where: bonds (distance) C4'-P energy: -143.902 bonds (distance) P-C4' energy: -155.994 flat angles C4'-P-C4' energy: -168.061 flat angles P-C4'-P energy: -101.267 tors. eta vs tors. theta energy: -198.774 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: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1709.459176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.459176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.459176 (E_RNA) where: Base-Base interactions energy: -1092.118 where: short stacking energy: -477.724 Base-Backbone interact. energy: 2.305 local terms energy: -619.646096 where: bonds (distance) C4'-P energy: -152.067 bonds (distance) P-C4' energy: -159.533 flat angles C4'-P-C4' energy: -135.257 flat angles P-C4'-P energy: -81.570 tors. eta vs tors. theta energy: -91.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1540.189664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.189664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.189664 (E_RNA) where: Base-Base interactions energy: -957.282 where: short stacking energy: -452.215 Base-Backbone interact. energy: 4.802 local terms energy: -587.709837 where: bonds (distance) C4'-P energy: -143.103 bonds (distance) P-C4' energy: -148.460 flat angles C4'-P-C4' energy: -125.277 flat angles P-C4'-P energy: -88.795 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: 9, replica: 4 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1005.567018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.567018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.567018 (E_RNA) where: Base-Base interactions energy: -548.073 where: short stacking energy: -279.249 Base-Backbone interact. energy: 4.437 local terms energy: -461.930453 where: bonds (distance) C4'-P energy: -144.084 bonds (distance) P-C4' energy: -138.765 flat angles C4'-P-C4' energy: -122.171 flat angles P-C4'-P energy: -46.745 tors. eta vs tors. theta energy: -10.165 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: 363 Temperature: 1.350000 Total energy: -1028.820652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.820652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.820652 (E_RNA) where: Base-Base interactions energy: -539.807 where: short stacking energy: -263.818 Base-Backbone interact. energy: -3.886 local terms energy: -485.126999 where: bonds (distance) C4'-P energy: -142.034 bonds (distance) P-C4' energy: -146.969 flat angles C4'-P-C4' energy: -127.624 flat angles P-C4'-P energy: -60.867 tors. eta vs tors. theta energy: -7.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2931.169293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.169293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.169293 (E_RNA) where: Base-Base interactions energy: -2002.133 where: short stacking energy: -839.006 Base-Backbone interact. energy: -3.071 local terms energy: -925.965242 where: bonds (distance) C4'-P energy: -181.093 bonds (distance) P-C4' energy: -175.179 flat angles C4'-P-C4' energy: -192.393 flat angles P-C4'-P energy: -115.429 tors. eta vs tors. theta energy: -261.871 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: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2768.087628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.087628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.087628 (E_RNA) where: Base-Base interactions energy: -1909.066 where: short stacking energy: -854.124 Base-Backbone interact. energy: 1.481 local terms energy: -860.503213 where: bonds (distance) C4'-P energy: -156.088 bonds (distance) P-C4' energy: -147.447 flat angles C4'-P-C4' energy: -191.588 flat angles P-C4'-P energy: -113.526 tors. eta vs tors. theta energy: -251.854 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: 6 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2629.688718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.688718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.688718 (E_RNA) where: Base-Base interactions energy: -1810.774 where: short stacking energy: -753.228 Base-Backbone interact. energy: -1.613 local terms energy: -817.301697 where: bonds (distance) C4'-P energy: -141.205 bonds (distance) P-C4' energy: -157.773 flat angles C4'-P-C4' energy: -189.305 flat angles P-C4'-P energy: -112.562 tors. eta vs tors. theta energy: -216.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2555.291131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.291131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.291131 (E_RNA) where: Base-Base interactions energy: -1747.731 where: short stacking energy: -739.735 Base-Backbone interact. energy: -3.283 local terms energy: -804.276985 where: bonds (distance) C4'-P energy: -146.281 bonds (distance) P-C4' energy: -154.354 flat angles C4'-P-C4' energy: -170.836 flat angles P-C4'-P energy: -112.954 tors. eta vs tors. theta energy: -219.852 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: 9 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2373.321031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.321031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.321031 (E_RNA) where: Base-Base interactions energy: -1608.975 where: short stacking energy: -691.918 Base-Backbone interact. energy: -4.962 local terms energy: -759.384218 where: bonds (distance) C4'-P energy: -149.950 bonds (distance) P-C4' energy: -125.658 flat angles C4'-P-C4' energy: -172.673 flat angles P-C4'-P energy: -117.010 tors. eta vs tors. theta energy: -194.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2230.086513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.086513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.086513 (E_RNA) where: Base-Base interactions energy: -1496.274 where: short stacking energy: -612.898 Base-Backbone interact. energy: -1.267 local terms energy: -732.545110 where: bonds (distance) C4'-P energy: -148.022 bonds (distance) P-C4' energy: -148.025 flat angles C4'-P-C4' energy: -156.561 flat angles P-C4'-P energy: -100.622 tors. eta vs tors. theta energy: -179.316 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: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1723.142240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.142240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.142240 (E_RNA) where: Base-Base interactions energy: -1084.660 where: short stacking energy: -506.987 Base-Backbone interact. energy: 1.634 local terms energy: -640.116944 where: bonds (distance) C4'-P energy: -147.758 bonds (distance) P-C4' energy: -140.192 flat angles C4'-P-C4' energy: -160.726 flat angles P-C4'-P energy: -89.296 tors. eta vs tors. theta energy: -102.146 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: 364 Temperature: 1.250000 Total energy: -1502.845529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.845529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.845529 (E_RNA) where: Base-Base interactions energy: -933.520 where: short stacking energy: -444.737 Base-Backbone interact. energy: -3.503 local terms energy: -565.822769 where: bonds (distance) C4'-P energy: -136.556 bonds (distance) P-C4' energy: -148.551 flat angles C4'-P-C4' energy: -124.975 flat angles P-C4'-P energy: -86.125 tors. eta vs tors. theta energy: -69.616 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: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1143.803800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.803800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.803800 (E_RNA) where: Base-Base interactions energy: -650.548 where: short stacking energy: -315.699 Base-Backbone interact. energy: -0.449 local terms energy: -492.806551 where: bonds (distance) C4'-P energy: -118.210 bonds (distance) P-C4' energy: -141.274 flat angles C4'-P-C4' energy: -117.766 flat angles P-C4'-P energy: -78.833 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: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -915.261575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.261575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.261575 (E_RNA) where: Base-Base interactions energy: -467.039 where: short stacking energy: -263.373 Base-Backbone interact. energy: 1.414 local terms energy: -449.636093 where: bonds (distance) C4'-P energy: -116.839 bonds (distance) P-C4' energy: -142.976 flat angles C4'-P-C4' energy: -122.684 flat angles P-C4'-P energy: -60.083 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2915.788581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.788581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.788581 (E_RNA) where: Base-Base interactions energy: -2030.445 where: short stacking energy: -828.063 Base-Backbone interact. energy: -1.457 local terms energy: -883.886031 where: bonds (distance) C4'-P energy: -155.768 bonds (distance) P-C4' energy: -180.773 flat angles C4'-P-C4' energy: -182.876 flat angles P-C4'-P energy: -122.590 tors. eta vs tors. theta energy: -241.879 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: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2776.282867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.282867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.282867 (E_RNA) where: Base-Base interactions energy: -1906.247 where: short stacking energy: -825.233 Base-Backbone interact. energy: -3.229 local terms energy: -866.806884 where: bonds (distance) C4'-P energy: -152.892 bonds (distance) P-C4' energy: -160.488 flat angles C4'-P-C4' energy: -185.765 flat angles P-C4'-P energy: -115.920 tors. eta vs tors. theta energy: -251.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2636.910608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.910608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.910608 (E_RNA) where: Base-Base interactions energy: -1812.958 where: short stacking energy: -764.307 Base-Backbone interact. energy: -6.069 local terms energy: -817.883503 where: bonds (distance) C4'-P energy: -150.618 bonds (distance) P-C4' energy: -161.912 flat angles C4'-P-C4' energy: -178.541 flat angles P-C4'-P energy: -105.680 tors. eta vs tors. theta energy: -221.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2532.753547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.753547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.753547 (E_RNA) where: Base-Base interactions energy: -1733.140 where: short stacking energy: -728.543 Base-Backbone interact. energy: -1.980 local terms energy: -797.634043 where: bonds (distance) C4'-P energy: -158.325 bonds (distance) P-C4' energy: -139.196 flat angles C4'-P-C4' energy: -173.123 flat angles P-C4'-P energy: -115.290 tors. eta vs tors. theta energy: -211.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2449.036865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.036865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.036865 (E_RNA) where: Base-Base interactions energy: -1634.319 where: short stacking energy: -727.859 Base-Backbone interact. energy: -0.363 local terms energy: -814.354109 where: bonds (distance) C4'-P energy: -143.577 bonds (distance) P-C4' energy: -155.388 flat angles C4'-P-C4' energy: -187.748 flat angles P-C4'-P energy: -116.273 tors. eta vs tors. theta energy: -211.369 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: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2214.435923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.435923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.435923 (E_RNA) where: Base-Base interactions energy: -1463.883 where: short stacking energy: -593.526 Base-Backbone interact. energy: 0.712 local terms energy: -751.264401 where: bonds (distance) C4'-P energy: -137.358 bonds (distance) P-C4' energy: -147.312 flat angles C4'-P-C4' energy: -177.395 flat angles P-C4'-P energy: -110.803 tors. eta vs tors. theta energy: -178.396 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: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1675.384025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.384025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.384025 (E_RNA) where: Base-Base interactions energy: -1067.943 where: short stacking energy: -506.474 Base-Backbone interact. energy: 2.968 local terms energy: -610.408274 where: bonds (distance) C4'-P energy: -130.929 bonds (distance) P-C4' energy: -136.974 flat angles C4'-P-C4' energy: -150.385 flat angles P-C4'-P energy: -85.739 tors. eta vs tors. theta energy: -106.380 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: 365 Temperature: 1.250000 Total energy: -1525.227919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.227919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.227919 (E_RNA) where: Base-Base interactions energy: -899.683 where: short stacking energy: -439.256 Base-Backbone interact. energy: -3.559 local terms energy: -621.986360 where: bonds (distance) C4'-P energy: -146.522 bonds (distance) P-C4' energy: -146.641 flat angles C4'-P-C4' energy: -131.507 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: -96.957 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: 365 Temperature: 1.300000 Total energy: -1105.874831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.874831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.874831 (E_RNA) where: Base-Base interactions energy: -621.554 where: short stacking energy: -298.936 Base-Backbone interact. energy: -3.201 local terms energy: -481.120053 where: bonds (distance) C4'-P energy: -133.251 bonds (distance) P-C4' energy: -138.000 flat angles C4'-P-C4' energy: -125.730 flat angles P-C4'-P energy: -51.096 tors. eta vs tors. theta energy: -33.043 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: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -947.865447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.865447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.865447 (E_RNA) where: Base-Base interactions energy: -480.963 where: short stacking energy: -248.941 Base-Backbone interact. energy: 0.424 local terms energy: -467.325788 where: bonds (distance) C4'-P energy: -137.984 bonds (distance) P-C4' energy: -137.398 flat angles C4'-P-C4' energy: -104.663 flat angles P-C4'-P energy: -77.886 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: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2958.116027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.116027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.116027 (E_RNA) where: Base-Base interactions energy: -2046.311 where: short stacking energy: -831.303 Base-Backbone interact. energy: -2.163 local terms energy: -909.641660 where: bonds (distance) C4'-P energy: -173.917 bonds (distance) P-C4' energy: -164.493 flat angles C4'-P-C4' energy: -194.213 flat angles P-C4'-P energy: -117.238 tors. eta vs tors. theta energy: -259.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2797.820058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.820058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.820058 (E_RNA) where: Base-Base interactions energy: -1908.224 where: short stacking energy: -816.988 Base-Backbone interact. energy: -2.511 local terms energy: -887.085391 where: bonds (distance) C4'-P energy: -165.917 bonds (distance) P-C4' energy: -160.684 flat angles C4'-P-C4' energy: -179.965 flat angles P-C4'-P energy: -138.756 tors. eta vs tors. theta energy: -241.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2606.657647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.657647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.657647 (E_RNA) where: Base-Base interactions energy: -1767.330 where: short stacking energy: -755.679 Base-Backbone interact. energy: -3.454 local terms energy: -835.873616 where: bonds (distance) C4'-P energy: -165.949 bonds (distance) P-C4' energy: -147.789 flat angles C4'-P-C4' energy: -181.686 flat angles P-C4'-P energy: -113.516 tors. eta vs tors. theta energy: -226.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2467.633549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.633549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.633549 (E_RNA) where: Base-Base interactions energy: -1682.430 where: short stacking energy: -729.237 Base-Backbone interact. energy: 2.751 local terms energy: -787.954121 where: bonds (distance) C4'-P energy: -145.693 bonds (distance) P-C4' energy: -141.553 flat angles C4'-P-C4' energy: -169.079 flat angles P-C4'-P energy: -123.725 tors. eta vs tors. theta energy: -207.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2431.667028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.667028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.667028 (E_RNA) where: Base-Base interactions energy: -1613.158 where: short stacking energy: -739.258 Base-Backbone interact. energy: -2.742 local terms energy: -815.766960 where: bonds (distance) C4'-P energy: -164.967 bonds (distance) P-C4' energy: -144.280 flat angles C4'-P-C4' energy: -168.414 flat angles P-C4'-P energy: -116.537 tors. eta vs tors. theta energy: -221.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2183.082571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.082571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.082571 (E_RNA) where: Base-Base interactions energy: -1452.598 where: short stacking energy: -639.872 Base-Backbone interact. energy: -0.710 local terms energy: -729.774398 where: bonds (distance) C4'-P energy: -157.262 bonds (distance) P-C4' energy: -154.162 flat angles C4'-P-C4' energy: -158.942 flat angles P-C4'-P energy: -92.956 tors. eta vs tors. theta energy: -166.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1702.973128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.973128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.973128 (E_RNA) where: Base-Base interactions energy: -1081.675 where: short stacking energy: -499.196 Base-Backbone interact. energy: -3.726 local terms energy: -617.572086 where: bonds (distance) C4'-P energy: -142.269 bonds (distance) P-C4' energy: -144.278 flat angles C4'-P-C4' energy: -140.393 flat angles P-C4'-P energy: -84.552 tors. eta vs tors. theta energy: -106.079 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: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1463.341525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.341525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.341525 (E_RNA) where: Base-Base interactions energy: -894.682 where: short stacking energy: -427.492 Base-Backbone interact. energy: -0.188 local terms energy: -568.472220 where: bonds (distance) C4'-P energy: -139.233 bonds (distance) P-C4' energy: -142.783 flat angles C4'-P-C4' energy: -151.327 flat angles P-C4'-P energy: -59.640 tors. eta vs tors. theta energy: -75.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1097.978775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.978775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.978775 (E_RNA) where: Base-Base interactions energy: -584.343 where: short stacking energy: -294.078 Base-Backbone interact. energy: -2.491 local terms energy: -511.144692 where: bonds (distance) C4'-P energy: -141.733 bonds (distance) P-C4' energy: -143.837 flat angles C4'-P-C4' energy: -120.956 flat angles P-C4'-P energy: -69.998 tors. eta vs tors. theta energy: -34.621 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: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -941.641416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.641416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.641416 (E_RNA) where: Base-Base interactions energy: -482.164 where: short stacking energy: -269.878 Base-Backbone interact. energy: 1.166 local terms energy: -460.643196 where: bonds (distance) C4'-P energy: -125.041 bonds (distance) P-C4' energy: -172.645 flat angles C4'-P-C4' energy: -108.072 flat angles P-C4'-P energy: -44.850 tors. eta vs tors. theta energy: -10.035 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: 1, replica: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2962.249354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.249354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.249354 (E_RNA) where: Base-Base interactions energy: -2039.486 where: short stacking energy: -859.164 Base-Backbone interact. energy: -0.443 local terms energy: -922.320448 where: bonds (distance) C4'-P energy: -165.357 bonds (distance) P-C4' energy: -177.055 flat angles C4'-P-C4' energy: -186.808 flat angles P-C4'-P energy: -128.577 tors. eta vs tors. theta energy: -264.524 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: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2781.785478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.785478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.785478 (E_RNA) where: Base-Base interactions energy: -1905.696 where: short stacking energy: -821.546 Base-Backbone interact. energy: -5.318 local terms energy: -870.771289 where: bonds (distance) C4'-P energy: -157.216 bonds (distance) P-C4' energy: -147.432 flat angles C4'-P-C4' energy: -191.028 flat angles P-C4'-P energy: -114.653 tors. eta vs tors. theta energy: -260.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2621.497437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.497437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.497437 (E_RNA) where: Base-Base interactions energy: -1799.632 where: short stacking energy: -760.334 Base-Backbone interact. energy: -5.464 local terms energy: -816.401287 where: bonds (distance) C4'-P energy: -164.682 bonds (distance) P-C4' energy: -163.865 flat angles C4'-P-C4' energy: -175.316 flat angles P-C4'-P energy: -96.568 tors. eta vs tors. theta energy: -215.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2516.517619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.517619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.517619 (E_RNA) where: Base-Base interactions energy: -1739.970 where: short stacking energy: -693.179 Base-Backbone interact. energy: 2.414 local terms energy: -778.961297 where: bonds (distance) C4'-P energy: -142.337 bonds (distance) P-C4' energy: -157.535 flat angles C4'-P-C4' energy: -166.853 flat angles P-C4'-P energy: -112.335 tors. eta vs tors. theta energy: -199.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2415.930874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.930874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.930874 (E_RNA) where: Base-Base interactions energy: -1649.525 where: short stacking energy: -720.935 Base-Backbone interact. energy: -1.663 local terms energy: -764.742967 where: bonds (distance) C4'-P energy: -142.413 bonds (distance) P-C4' energy: -141.154 flat angles C4'-P-C4' energy: -167.507 flat angles P-C4'-P energy: -109.174 tors. eta vs tors. theta energy: -204.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2202.515850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.515850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.515850 (E_RNA) where: Base-Base interactions energy: -1463.137 where: short stacking energy: -642.472 Base-Backbone interact. energy: 4.018 local terms energy: -743.396725 where: bonds (distance) C4'-P energy: -157.040 bonds (distance) P-C4' energy: -157.846 flat angles C4'-P-C4' energy: -156.956 flat angles P-C4'-P energy: -102.972 tors. eta vs tors. theta energy: -168.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1688.947895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.947895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.947895 (E_RNA) where: Base-Base interactions energy: -1040.561 where: short stacking energy: -502.681 Base-Backbone interact. energy: 5.307 local terms energy: -653.694160 where: bonds (distance) C4'-P energy: -158.784 bonds (distance) P-C4' energy: -149.181 flat angles C4'-P-C4' energy: -150.096 flat angles P-C4'-P energy: -89.425 tors. eta vs tors. theta energy: -106.209 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: 367 Temperature: 1.250000 Total energy: -1498.194617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.194617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.194617 (E_RNA) where: Base-Base interactions energy: -959.885 where: short stacking energy: -454.943 Base-Backbone interact. energy: -3.920 local terms energy: -534.389707 where: bonds (distance) C4'-P energy: -133.404 bonds (distance) P-C4' energy: -141.774 flat angles C4'-P-C4' energy: -102.463 flat angles P-C4'-P energy: -81.587 tors. eta vs tors. theta energy: -75.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1046.706181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.706181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.706181 (E_RNA) where: Base-Base interactions energy: -564.051 where: short stacking energy: -295.893 Base-Backbone interact. energy: -1.159 local terms energy: -481.496007 where: bonds (distance) C4'-P energy: -148.132 bonds (distance) P-C4' energy: -127.180 flat angles C4'-P-C4' energy: -120.863 flat angles P-C4'-P energy: -68.623 tors. eta vs tors. theta energy: -16.698 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: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -956.624233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.624233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.624233 (E_RNA) where: Base-Base interactions energy: -494.047 where: short stacking energy: -294.997 Base-Backbone interact. energy: 0.529 local terms energy: -463.106561 where: bonds (distance) C4'-P energy: -129.024 bonds (distance) P-C4' energy: -133.230 flat angles C4'-P-C4' energy: -115.627 flat angles P-C4'-P energy: -57.343 tors. eta vs tors. theta energy: -27.882 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: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2988.440433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.440433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.440433 (E_RNA) where: Base-Base interactions energy: -2075.748 where: short stacking energy: -851.337 Base-Backbone interact. energy: -0.776 local terms energy: -911.916550 where: bonds (distance) C4'-P energy: -163.379 bonds (distance) P-C4' energy: -173.423 flat angles C4'-P-C4' energy: -185.593 flat angles P-C4'-P energy: -127.019 tors. eta vs tors. theta energy: -262.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2767.653215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.653215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.653215 (E_RNA) where: Base-Base interactions energy: -1892.026 where: short stacking energy: -787.635 Base-Backbone interact. energy: -5.146 local terms energy: -870.481428 where: bonds (distance) C4'-P energy: -155.226 bonds (distance) P-C4' energy: -163.307 flat angles C4'-P-C4' energy: -199.113 flat angles P-C4'-P energy: -105.496 tors. eta vs tors. theta energy: -247.341 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: 3, replica: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2613.327631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.327631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.327631 (E_RNA) where: Base-Base interactions energy: -1793.495 where: short stacking energy: -744.690 Base-Backbone interact. energy: -1.887 local terms energy: -817.945592 where: bonds (distance) C4'-P energy: -154.781 bonds (distance) P-C4' energy: -162.431 flat angles C4'-P-C4' energy: -168.043 flat angles P-C4'-P energy: -106.972 tors. eta vs tors. theta energy: -225.719 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: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2538.919881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.919881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.919881 (E_RNA) where: Base-Base interactions energy: -1736.482 where: short stacking energy: -723.721 Base-Backbone interact. energy: -3.938 local terms energy: -798.500080 where: bonds (distance) C4'-P energy: -162.385 bonds (distance) P-C4' energy: -154.001 flat angles C4'-P-C4' energy: -173.674 flat angles P-C4'-P energy: -105.799 tors. eta vs tors. theta energy: -202.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2397.175582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.175582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.175582 (E_RNA) where: Base-Base interactions energy: -1614.956 where: short stacking energy: -710.541 Base-Backbone interact. energy: -2.893 local terms energy: -779.326407 where: bonds (distance) C4'-P energy: -144.321 bonds (distance) P-C4' energy: -147.704 flat angles C4'-P-C4' energy: -183.139 flat angles P-C4'-P energy: -106.107 tors. eta vs tors. theta energy: -198.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2192.457722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.457722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.457722 (E_RNA) where: Base-Base interactions energy: -1465.608 where: short stacking energy: -639.178 Base-Backbone interact. energy: -1.809 local terms energy: -725.040668 where: bonds (distance) C4'-P energy: -115.259 bonds (distance) P-C4' energy: -151.266 flat angles C4'-P-C4' energy: -165.195 flat angles P-C4'-P energy: -110.044 tors. eta vs tors. theta energy: -183.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1699.583375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.583375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.583375 (E_RNA) where: Base-Base interactions energy: -1095.696 where: short stacking energy: -486.653 Base-Backbone interact. energy: 1.394 local terms energy: -605.281426 where: bonds (distance) C4'-P energy: -121.087 bonds (distance) P-C4' energy: -141.723 flat angles C4'-P-C4' energy: -158.166 flat angles P-C4'-P energy: -93.797 tors. eta vs tors. theta energy: -90.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1504.690329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.690329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.690329 (E_RNA) where: Base-Base interactions energy: -956.003 where: short stacking energy: -434.206 Base-Backbone interact. energy: 0.048 local terms energy: -548.734986 where: bonds (distance) C4'-P energy: -112.675 bonds (distance) P-C4' energy: -147.430 flat angles C4'-P-C4' energy: -127.379 flat angles P-C4'-P energy: -80.270 tors. eta vs tors. theta energy: -80.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1141.556447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.556447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.556447 (E_RNA) where: Base-Base interactions energy: -607.779 where: short stacking energy: -312.162 Base-Backbone interact. energy: 1.286 local terms energy: -535.063658 where: bonds (distance) C4'-P energy: -128.823 bonds (distance) P-C4' energy: -146.058 flat angles C4'-P-C4' energy: -146.144 flat angles P-C4'-P energy: -96.310 tors. eta vs tors. theta energy: -17.729 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: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -959.803660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.803660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.803660 (E_RNA) where: Base-Base interactions energy: -498.703 where: short stacking energy: -275.378 Base-Backbone interact. energy: 9.688 local terms energy: -470.789301 where: bonds (distance) C4'-P energy: -115.359 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -135.407 flat angles P-C4'-P energy: -61.285 tors. eta vs tors. theta energy: -17.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2953.389563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.389563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.389563 (E_RNA) where: Base-Base interactions energy: -2053.798 where: short stacking energy: -824.047 Base-Backbone interact. energy: -2.944 local terms energy: -896.646908 where: bonds (distance) C4'-P energy: -168.280 bonds (distance) P-C4' energy: -166.101 flat angles C4'-P-C4' energy: -189.759 flat angles P-C4'-P energy: -113.922 tors. eta vs tors. theta energy: -258.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2775.675574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.675574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.675574 (E_RNA) where: Base-Base interactions energy: -1859.798 where: short stacking energy: -815.835 Base-Backbone interact. energy: -1.459 local terms energy: -914.418243 where: bonds (distance) C4'-P energy: -164.858 bonds (distance) P-C4' energy: -178.793 flat angles C4'-P-C4' energy: -185.766 flat angles P-C4'-P energy: -125.727 tors. eta vs tors. theta energy: -259.274 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: 6 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2672.027520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.027520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.027520 (E_RNA) where: Base-Base interactions energy: -1822.659 where: short stacking energy: -758.916 Base-Backbone interact. energy: -3.841 local terms energy: -845.526794 where: bonds (distance) C4'-P energy: -154.441 bonds (distance) P-C4' energy: -158.212 flat angles C4'-P-C4' energy: -170.986 flat angles P-C4'-P energy: -127.671 tors. eta vs tors. theta energy: -234.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2557.985964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.985964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.985964 (E_RNA) where: Base-Base interactions energy: -1741.364 where: short stacking energy: -720.187 Base-Backbone interact. energy: -3.002 local terms energy: -813.620118 where: bonds (distance) C4'-P energy: -149.183 bonds (distance) P-C4' energy: -162.974 flat angles C4'-P-C4' energy: -180.321 flat angles P-C4'-P energy: -120.154 tors. eta vs tors. theta energy: -200.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2380.938214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.938214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.938214 (E_RNA) where: Base-Base interactions energy: -1598.492 where: short stacking energy: -701.443 Base-Backbone interact. energy: -3.434 local terms energy: -779.012376 where: bonds (distance) C4'-P energy: -138.155 bonds (distance) P-C4' energy: -148.341 flat angles C4'-P-C4' energy: -174.916 flat angles P-C4'-P energy: -110.476 tors. eta vs tors. theta energy: -207.124 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: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2227.361111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.361111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.361111 (E_RNA) where: Base-Base interactions energy: -1467.973 where: short stacking energy: -636.929 Base-Backbone interact. energy: 2.553 local terms energy: -761.941177 where: bonds (distance) C4'-P energy: -140.781 bonds (distance) P-C4' energy: -145.476 flat angles C4'-P-C4' energy: -161.034 flat angles P-C4'-P energy: -112.879 tors. eta vs tors. theta energy: -201.772 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: 369 Temperature: 1.200000 Total energy: -1683.312090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.312090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.312090 (E_RNA) where: Base-Base interactions energy: -1061.818 where: short stacking energy: -468.667 Base-Backbone interact. energy: -3.209 local terms energy: -618.284705 where: bonds (distance) C4'-P energy: -149.415 bonds (distance) P-C4' energy: -140.967 flat angles C4'-P-C4' energy: -136.817 flat angles P-C4'-P energy: -82.362 tors. eta vs tors. theta energy: -108.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1510.459709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.459709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.459709 (E_RNA) where: Base-Base interactions energy: -933.141 where: short stacking energy: -428.106 Base-Backbone interact. energy: 11.968 local terms energy: -589.286551 where: bonds (distance) C4'-P energy: -158.124 bonds (distance) P-C4' energy: -134.961 flat angles C4'-P-C4' energy: -131.302 flat angles P-C4'-P energy: -79.534 tors. eta vs tors. theta energy: -85.365 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: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1088.548954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.548954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.548954 (E_RNA) where: Base-Base interactions energy: -580.910 where: short stacking energy: -281.242 Base-Backbone interact. energy: -7.700 local terms energy: -499.938655 where: bonds (distance) C4'-P energy: -151.921 bonds (distance) P-C4' energy: -135.562 flat angles C4'-P-C4' energy: -124.742 flat angles P-C4'-P energy: -73.507 tors. eta vs tors. theta energy: -14.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -971.875260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.875260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.875260 (E_RNA) where: Base-Base interactions energy: -466.979 where: short stacking energy: -233.565 Base-Backbone interact. energy: -3.187 local terms energy: -501.709707 where: bonds (distance) C4'-P energy: -135.684 bonds (distance) P-C4' energy: -146.947 flat angles C4'-P-C4' energy: -132.684 flat angles P-C4'-P energy: -80.976 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2926.675118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.675118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.675118 (E_RNA) where: Base-Base interactions energy: -2001.178 where: short stacking energy: -826.558 Base-Backbone interact. energy: -4.513 local terms energy: -920.984280 where: bonds (distance) C4'-P energy: -168.344 bonds (distance) P-C4' energy: -170.059 flat angles C4'-P-C4' energy: -198.160 flat angles P-C4'-P energy: -128.133 tors. eta vs tors. theta energy: -256.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2801.705380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.705380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.705380 (E_RNA) where: Base-Base interactions energy: -1932.785 where: short stacking energy: -823.317 Base-Backbone interact. energy: -3.597 local terms energy: -865.323145 where: bonds (distance) C4'-P energy: -144.220 bonds (distance) P-C4' energy: -165.220 flat angles C4'-P-C4' energy: -190.604 flat angles P-C4'-P energy: -126.549 tors. eta vs tors. theta energy: -238.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2778.570513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.570513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.570513 (E_RNA) where: Base-Base interactions energy: -1921.858 where: short stacking energy: -786.425 Base-Backbone interact. energy: 6.592 local terms energy: -863.304384 where: bonds (distance) C4'-P energy: -158.453 bonds (distance) P-C4' energy: -168.530 flat angles C4'-P-C4' energy: -181.786 flat angles P-C4'-P energy: -125.109 tors. eta vs tors. theta energy: -229.426 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: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2554.944208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.944208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.944208 (E_RNA) where: Base-Base interactions energy: -1788.270 where: short stacking energy: -746.421 Base-Backbone interact. energy: -2.444 local terms energy: -764.229862 where: bonds (distance) C4'-P energy: -137.799 bonds (distance) P-C4' energy: -148.472 flat angles C4'-P-C4' energy: -167.068 flat angles P-C4'-P energy: -102.173 tors. eta vs tors. theta energy: -208.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2384.534326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.534326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.534326 (E_RNA) where: Base-Base interactions energy: -1606.476 where: short stacking energy: -695.567 Base-Backbone interact. energy: -2.728 local terms energy: -775.330072 where: bonds (distance) C4'-P energy: -135.146 bonds (distance) P-C4' energy: -140.862 flat angles C4'-P-C4' energy: -170.828 flat angles P-C4'-P energy: -119.674 tors. eta vs tors. theta energy: -208.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2243.720479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.720479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.720479 (E_RNA) where: Base-Base interactions energy: -1502.131 where: short stacking energy: -630.823 Base-Backbone interact. energy: 7.994 local terms energy: -749.583357 where: bonds (distance) C4'-P energy: -138.786 bonds (distance) P-C4' energy: -147.338 flat angles C4'-P-C4' energy: -170.471 flat angles P-C4'-P energy: -105.717 tors. eta vs tors. theta energy: -187.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1740.974329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.974329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.974329 (E_RNA) where: Base-Base interactions energy: -1095.502 where: short stacking energy: -503.109 Base-Backbone interact. energy: 0.514 local terms energy: -645.987237 where: bonds (distance) C4'-P energy: -121.590 bonds (distance) P-C4' energy: -158.278 flat angles C4'-P-C4' energy: -151.184 flat angles P-C4'-P energy: -90.545 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: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1518.270986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.270986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.270986 (E_RNA) where: Base-Base interactions energy: -931.023 where: short stacking energy: -430.853 Base-Backbone interact. energy: 0.077 local terms energy: -587.324958 where: bonds (distance) C4'-P energy: -138.744 bonds (distance) P-C4' energy: -159.442 flat angles C4'-P-C4' energy: -148.642 flat angles P-C4'-P energy: -58.501 tors. eta vs tors. theta energy: -81.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1054.978585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.978585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.978585 (E_RNA) where: Base-Base interactions energy: -569.580 where: short stacking energy: -317.890 Base-Backbone interact. energy: 0.724 local terms energy: -486.122897 where: bonds (distance) C4'-P energy: -122.252 bonds (distance) P-C4' energy: -139.653 flat angles C4'-P-C4' energy: -114.147 flat angles P-C4'-P energy: -86.502 tors. eta vs tors. theta energy: -23.569 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: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -996.606941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.606941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.606941 (E_RNA) where: Base-Base interactions energy: -527.327 where: short stacking energy: -280.451 Base-Backbone interact. energy: -2.853 local terms energy: -466.426722 where: bonds (distance) C4'-P energy: -138.404 bonds (distance) P-C4' energy: -135.194 flat angles C4'-P-C4' energy: -119.089 flat angles P-C4'-P energy: -58.440 tors. eta vs tors. theta energy: -15.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2929.874747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.874747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.874747 (E_RNA) where: Base-Base interactions energy: -2011.059 where: short stacking energy: -875.950 Base-Backbone interact. energy: -1.920 local terms energy: -916.895945 where: bonds (distance) C4'-P energy: -177.124 bonds (distance) P-C4' energy: -164.522 flat angles C4'-P-C4' energy: -193.421 flat angles P-C4'-P energy: -128.470 tors. eta vs tors. theta energy: -253.359 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: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2824.976715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.976715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.976715 (E_RNA) where: Base-Base interactions energy: -1932.392 where: short stacking energy: -831.007 Base-Backbone interact. energy: -0.963 local terms energy: -891.622317 where: bonds (distance) C4'-P energy: -164.212 bonds (distance) P-C4' energy: -166.077 flat angles C4'-P-C4' energy: -179.518 flat angles P-C4'-P energy: -121.144 tors. eta vs tors. theta energy: -260.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2653.609979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.609979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.609979 (E_RNA) where: Base-Base interactions energy: -1813.275 where: short stacking energy: -750.027 Base-Backbone interact. energy: -1.800 local terms energy: -838.535050 where: bonds (distance) C4'-P energy: -151.323 bonds (distance) P-C4' energy: -160.532 flat angles C4'-P-C4' energy: -174.649 flat angles P-C4'-P energy: -127.352 tors. eta vs tors. theta energy: -224.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2583.023556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.023556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.023556 (E_RNA) where: Base-Base interactions energy: -1780.353 where: short stacking energy: -754.696 Base-Backbone interact. energy: 3.616 local terms energy: -806.286204 where: bonds (distance) C4'-P energy: -152.304 bonds (distance) P-C4' energy: -154.871 flat angles C4'-P-C4' energy: -174.668 flat angles P-C4'-P energy: -122.566 tors. eta vs tors. theta energy: -201.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2451.960344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.960344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.960344 (E_RNA) where: Base-Base interactions energy: -1640.508 where: short stacking energy: -706.382 Base-Backbone interact. energy: -0.040 local terms energy: -811.412452 where: bonds (distance) C4'-P energy: -149.529 bonds (distance) P-C4' energy: -147.666 flat angles C4'-P-C4' energy: -180.373 flat angles P-C4'-P energy: -116.752 tors. eta vs tors. theta energy: -217.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2210.696836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.696836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.696836 (E_RNA) where: Base-Base interactions energy: -1488.433 where: short stacking energy: -638.959 Base-Backbone interact. energy: -1.405 local terms energy: -720.859129 where: bonds (distance) C4'-P energy: -147.220 bonds (distance) P-C4' energy: -136.645 flat angles C4'-P-C4' energy: -168.879 flat angles P-C4'-P energy: -85.191 tors. eta vs tors. theta energy: -182.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1750.203240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.203240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.203240 (E_RNA) where: Base-Base interactions energy: -1087.837 where: short stacking energy: -486.268 Base-Backbone interact. energy: -2.607 local terms energy: -659.758767 where: bonds (distance) C4'-P energy: -157.712 bonds (distance) P-C4' energy: -140.818 flat angles C4'-P-C4' energy: -147.249 flat angles P-C4'-P energy: -113.862 tors. eta vs tors. theta energy: -100.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1576.105388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.105388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.105388 (E_RNA) where: Base-Base interactions energy: -988.788 where: short stacking energy: -460.511 Base-Backbone interact. energy: 3.777 local terms energy: -591.094389 where: bonds (distance) C4'-P energy: -142.166 bonds (distance) P-C4' energy: -140.934 flat angles C4'-P-C4' energy: -122.717 flat angles P-C4'-P energy: -93.391 tors. eta vs tors. theta energy: -91.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1030.287332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.287332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.287332 (E_RNA) where: Base-Base interactions energy: -554.544 where: short stacking energy: -282.501 Base-Backbone interact. energy: 3.382 local terms energy: -479.125605 where: bonds (distance) C4'-P energy: -138.458 bonds (distance) P-C4' energy: -140.678 flat angles C4'-P-C4' energy: -119.539 flat angles P-C4'-P energy: -69.231 tors. eta vs tors. theta energy: -11.220 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: 371 Temperature: 1.350000 Total energy: -960.873950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.873950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.873950 (E_RNA) where: Base-Base interactions energy: -476.253 where: short stacking energy: -262.822 Base-Backbone interact. energy: 3.721 local terms energy: -488.341742 where: bonds (distance) C4'-P energy: -127.391 bonds (distance) P-C4' energy: -140.645 flat angles C4'-P-C4' energy: -142.807 flat angles P-C4'-P energy: -65.311 tors. eta vs tors. theta energy: -12.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2943.492608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.492608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.492608 (E_RNA) where: Base-Base interactions energy: -2038.298 where: short stacking energy: -871.697 Base-Backbone interact. energy: -2.480 local terms energy: -902.714539 where: bonds (distance) C4'-P energy: -146.941 bonds (distance) P-C4' energy: -168.824 flat angles C4'-P-C4' energy: -182.110 flat angles P-C4'-P energy: -136.697 tors. eta vs tors. theta energy: -268.143 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: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2788.029885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.029885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.029885 (E_RNA) where: Base-Base interactions energy: -1909.039 where: short stacking energy: -809.192 Base-Backbone interact. energy: -5.842 local terms energy: -873.149494 where: bonds (distance) C4'-P energy: -155.715 bonds (distance) P-C4' energy: -165.380 flat angles C4'-P-C4' energy: -177.246 flat angles P-C4'-P energy: -128.942 tors. eta vs tors. theta energy: -245.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2714.891633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.891633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.891633 (E_RNA) where: Base-Base interactions energy: -1864.370 where: short stacking energy: -788.747 Base-Backbone interact. energy: -4.340 local terms energy: -846.181697 where: bonds (distance) C4'-P energy: -142.726 bonds (distance) P-C4' energy: -162.143 flat angles C4'-P-C4' energy: -182.311 flat angles P-C4'-P energy: -123.501 tors. eta vs tors. theta energy: -235.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2546.762925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.762925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.762925 (E_RNA) where: Base-Base interactions energy: -1746.611 where: short stacking energy: -731.243 Base-Backbone interact. energy: -4.638 local terms energy: -795.514133 where: bonds (distance) C4'-P energy: -152.282 bonds (distance) P-C4' energy: -155.725 flat angles C4'-P-C4' energy: -172.997 flat angles P-C4'-P energy: -104.257 tors. eta vs tors. theta energy: -210.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2418.343850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.343850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.343850 (E_RNA) where: Base-Base interactions energy: -1623.259 where: short stacking energy: -729.662 Base-Backbone interact. energy: -3.006 local terms energy: -792.078709 where: bonds (distance) C4'-P energy: -134.084 bonds (distance) P-C4' energy: -149.568 flat angles C4'-P-C4' energy: -181.264 flat angles P-C4'-P energy: -113.148 tors. eta vs tors. theta energy: -214.015 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: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2231.710703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.710703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.710703 (E_RNA) where: Base-Base interactions energy: -1500.382 where: short stacking energy: -638.281 Base-Backbone interact. energy: -1.005 local terms energy: -730.324053 where: bonds (distance) C4'-P energy: -136.597 bonds (distance) P-C4' energy: -141.765 flat angles C4'-P-C4' energy: -152.713 flat angles P-C4'-P energy: -109.574 tors. eta vs tors. theta energy: -189.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1738.517298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.517298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.517298 (E_RNA) where: Base-Base interactions energy: -1050.465 where: short stacking energy: -467.481 Base-Backbone interact. energy: -1.766 local terms energy: -686.285836 where: bonds (distance) C4'-P energy: -156.890 bonds (distance) P-C4' energy: -155.262 flat angles C4'-P-C4' energy: -171.620 flat angles P-C4'-P energy: -90.166 tors. eta vs tors. theta energy: -112.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1521.742072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.742072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.742072 (E_RNA) where: Base-Base interactions energy: -924.477 where: short stacking energy: -406.499 Base-Backbone interact. energy: 3.052 local terms energy: -600.317098 where: bonds (distance) C4'-P energy: -148.521 bonds (distance) P-C4' energy: -149.869 flat angles C4'-P-C4' energy: -140.500 flat angles P-C4'-P energy: -78.807 tors. eta vs tors. theta energy: -82.620 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: 4 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1037.148540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.148540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.148540 (E_RNA) where: Base-Base interactions energy: -577.971 where: short stacking energy: -292.541 Base-Backbone interact. energy: -1.506 local terms energy: -457.672159 where: bonds (distance) C4'-P energy: -127.004 bonds (distance) P-C4' energy: -136.037 flat angles C4'-P-C4' energy: -129.886 flat angles P-C4'-P energy: -55.813 tors. eta vs tors. theta energy: -8.933 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: 372 Temperature: 1.350000 Total energy: -923.751518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.751518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.751518 (E_RNA) where: Base-Base interactions energy: -464.801 where: short stacking energy: -254.814 Base-Backbone interact. energy: 1.728 local terms energy: -460.678747 where: bonds (distance) C4'-P energy: -131.868 bonds (distance) P-C4' energy: -146.272 flat angles C4'-P-C4' energy: -115.327 flat angles P-C4'-P energy: -80.582 tors. eta vs tors. theta energy: 13.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2945.949024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.949024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.949024 (E_RNA) where: Base-Base interactions energy: -2005.423 where: short stacking energy: -841.352 Base-Backbone interact. energy: -5.246 local terms energy: -935.279768 where: bonds (distance) C4'-P energy: -168.026 bonds (distance) P-C4' energy: -166.538 flat angles C4'-P-C4' energy: -190.099 flat angles P-C4'-P energy: -139.208 tors. eta vs tors. theta energy: -271.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2816.906054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.906054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.906054 (E_RNA) where: Base-Base interactions energy: -1889.512 where: short stacking energy: -833.431 Base-Backbone interact. energy: -0.930 local terms energy: -926.463863 where: bonds (distance) C4'-P energy: -162.226 bonds (distance) P-C4' energy: -165.781 flat angles C4'-P-C4' energy: -194.351 flat angles P-C4'-P energy: -140.422 tors. eta vs tors. theta energy: -263.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2748.860842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.860842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.860842 (E_RNA) where: Base-Base interactions energy: -1909.215 where: short stacking energy: -785.330 Base-Backbone interact. energy: -4.587 local terms energy: -835.058584 where: bonds (distance) C4'-P energy: -132.527 bonds (distance) P-C4' energy: -172.919 flat angles C4'-P-C4' energy: -184.760 flat angles P-C4'-P energy: -117.867 tors. eta vs tors. theta energy: -226.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2559.756912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.756912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.756912 (E_RNA) where: Base-Base interactions energy: -1743.072 where: short stacking energy: -719.212 Base-Backbone interact. energy: -3.756 local terms energy: -812.928689 where: bonds (distance) C4'-P energy: -169.403 bonds (distance) P-C4' energy: -158.644 flat angles C4'-P-C4' energy: -163.183 flat angles P-C4'-P energy: -119.792 tors. eta vs tors. theta energy: -201.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2439.871011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.871011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.871011 (E_RNA) where: Base-Base interactions energy: -1610.067 where: short stacking energy: -697.552 Base-Backbone interact. energy: -2.606 local terms energy: -827.198490 where: bonds (distance) C4'-P energy: -145.091 bonds (distance) P-C4' energy: -157.947 flat angles C4'-P-C4' energy: -182.512 flat angles P-C4'-P energy: -122.255 tors. eta vs tors. theta energy: -219.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2227.427434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.427434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.427434 (E_RNA) where: Base-Base interactions energy: -1495.294 where: short stacking energy: -649.833 Base-Backbone interact. energy: -3.350 local terms energy: -728.783526 where: bonds (distance) C4'-P energy: -128.096 bonds (distance) P-C4' energy: -144.610 flat angles C4'-P-C4' energy: -149.884 flat angles P-C4'-P energy: -107.902 tors. eta vs tors. theta energy: -198.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1738.598113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.598113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.598113 (E_RNA) where: Base-Base interactions energy: -1121.943 where: short stacking energy: -494.528 Base-Backbone interact. energy: 0.082 local terms energy: -616.736844 where: bonds (distance) C4'-P energy: -142.605 bonds (distance) P-C4' energy: -146.288 flat angles C4'-P-C4' energy: -135.872 flat angles P-C4'-P energy: -86.354 tors. eta vs tors. theta energy: -105.618 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: 373 Temperature: 1.250000 Total energy: -1489.126898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.126898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.126898 (E_RNA) where: Base-Base interactions energy: -903.775 where: short stacking energy: -403.840 Base-Backbone interact. energy: 9.321 local terms energy: -594.672396 where: bonds (distance) C4'-P energy: -131.681 bonds (distance) P-C4' energy: -158.112 flat angles C4'-P-C4' energy: -138.818 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -73.752 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: 4 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1046.480609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.480609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.480609 (E_RNA) where: Base-Base interactions energy: -577.322 where: short stacking energy: -277.326 Base-Backbone interact. energy: -1.449 local terms energy: -467.709011 where: bonds (distance) C4'-P energy: -135.845 bonds (distance) P-C4' energy: -138.447 flat angles C4'-P-C4' energy: -101.912 flat angles P-C4'-P energy: -67.835 tors. eta vs tors. theta energy: -23.670 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: 373 Temperature: 1.350000 Total energy: -945.408342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.408342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.408342 (E_RNA) where: Base-Base interactions energy: -492.543 where: short stacking energy: -240.864 Base-Backbone interact. energy: -0.062 local terms energy: -452.802698 where: bonds (distance) C4'-P energy: -141.198 bonds (distance) P-C4' energy: -110.037 flat angles C4'-P-C4' energy: -114.820 flat angles P-C4'-P energy: -65.071 tors. eta vs tors. theta energy: -21.678 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: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2921.690830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.690830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.690830 (E_RNA) where: Base-Base interactions energy: -2003.499 where: short stacking energy: -856.173 Base-Backbone interact. energy: -4.571 local terms energy: -913.619906 where: bonds (distance) C4'-P energy: -177.823 bonds (distance) P-C4' energy: -162.180 flat angles C4'-P-C4' energy: -188.251 flat angles P-C4'-P energy: -126.066 tors. eta vs tors. theta energy: -259.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2792.705250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.705250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.705250 (E_RNA) where: Base-Base interactions energy: -1886.761 where: short stacking energy: -835.844 Base-Backbone interact. energy: -4.657 local terms energy: -901.287186 where: bonds (distance) C4'-P energy: -176.528 bonds (distance) P-C4' energy: -170.742 flat angles C4'-P-C4' energy: -177.348 flat angles P-C4'-P energy: -116.640 tors. eta vs tors. theta energy: -260.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2714.623853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.623853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.623853 (E_RNA) where: Base-Base interactions energy: -1864.434 where: short stacking energy: -762.169 Base-Backbone interact. energy: -3.925 local terms energy: -846.264634 where: bonds (distance) C4'-P energy: -146.935 bonds (distance) P-C4' energy: -160.455 flat angles C4'-P-C4' energy: -187.372 flat angles P-C4'-P energy: -118.822 tors. eta vs tors. theta energy: -232.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2567.793918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.793918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.793918 (E_RNA) where: Base-Base interactions energy: -1781.913 where: short stacking energy: -736.635 Base-Backbone interact. energy: -2.389 local terms energy: -783.491599 where: bonds (distance) C4'-P energy: -143.225 bonds (distance) P-C4' energy: -152.646 flat angles C4'-P-C4' energy: -160.739 flat angles P-C4'-P energy: -120.494 tors. eta vs tors. theta energy: -206.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2398.628712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.628712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.628712 (E_RNA) where: Base-Base interactions energy: -1606.571 where: short stacking energy: -682.461 Base-Backbone interact. energy: 3.287 local terms energy: -795.344443 where: bonds (distance) C4'-P energy: -147.775 bonds (distance) P-C4' energy: -169.305 flat angles C4'-P-C4' energy: -168.154 flat angles P-C4'-P energy: -104.548 tors. eta vs tors. theta energy: -205.563 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: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2276.066155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.066155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.066155 (E_RNA) where: Base-Base interactions energy: -1533.372 where: short stacking energy: -675.479 Base-Backbone interact. energy: 0.606 local terms energy: -743.299549 where: bonds (distance) C4'-P energy: -131.209 bonds (distance) P-C4' energy: -127.416 flat angles C4'-P-C4' energy: -170.947 flat angles P-C4'-P energy: -121.614 tors. eta vs tors. theta energy: -192.113 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: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1756.904233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.904233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.904233 (E_RNA) where: Base-Base interactions energy: -1148.552 where: short stacking energy: -522.129 Base-Backbone interact. energy: -1.990 local terms energy: -606.362184 where: bonds (distance) C4'-P energy: -146.477 bonds (distance) P-C4' energy: -130.925 flat angles C4'-P-C4' energy: -138.615 flat angles P-C4'-P energy: -84.676 tors. eta vs tors. theta energy: -105.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1513.853198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.853198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.853198 (E_RNA) where: Base-Base interactions energy: -926.919 where: short stacking energy: -430.474 Base-Backbone interact. energy: -0.008 local terms energy: -586.926916 where: bonds (distance) C4'-P energy: -153.340 bonds (distance) P-C4' energy: -145.771 flat angles C4'-P-C4' energy: -112.755 flat angles P-C4'-P energy: -91.770 tors. eta vs tors. theta energy: -83.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1042.622852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.622852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.622852 (E_RNA) where: Base-Base interactions energy: -552.418 where: short stacking energy: -317.531 Base-Backbone interact. energy: -2.935 local terms energy: -487.270195 where: bonds (distance) C4'-P energy: -87.074 bonds (distance) P-C4' energy: -144.398 flat angles C4'-P-C4' energy: -153.473 flat angles P-C4'-P energy: -74.235 tors. eta vs tors. theta energy: -28.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -973.996326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.996326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.996326 (E_RNA) where: Base-Base interactions energy: -493.158 where: short stacking energy: -263.077 Base-Backbone interact. energy: -2.139 local terms energy: -478.698409 where: bonds (distance) C4'-P energy: -137.272 bonds (distance) P-C4' energy: -156.405 flat angles C4'-P-C4' energy: -112.462 flat angles P-C4'-P energy: -63.706 tors. eta vs tors. theta energy: -8.853 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: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2939.474945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.474945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.474945 (E_RNA) where: Base-Base interactions energy: -2009.073 where: short stacking energy: -880.264 Base-Backbone interact. energy: -2.505 local terms energy: -927.897502 where: bonds (distance) C4'-P energy: -158.926 bonds (distance) P-C4' energy: -162.211 flat angles C4'-P-C4' energy: -203.257 flat angles P-C4'-P energy: -129.472 tors. eta vs tors. theta energy: -274.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2796.991529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.991529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.991529 (E_RNA) where: Base-Base interactions energy: -1898.161 where: short stacking energy: -832.484 Base-Backbone interact. energy: -3.645 local terms energy: -895.185634 where: bonds (distance) C4'-P energy: -162.443 bonds (distance) P-C4' energy: -149.870 flat angles C4'-P-C4' energy: -198.603 flat angles P-C4'-P energy: -120.604 tors. eta vs tors. theta energy: -263.665 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: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2779.637477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.637477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.637477 (E_RNA) where: Base-Base interactions energy: -1910.486 where: short stacking energy: -770.138 Base-Backbone interact. energy: -3.581 local terms energy: -865.570287 where: bonds (distance) C4'-P energy: -160.104 bonds (distance) P-C4' energy: -146.515 flat angles C4'-P-C4' energy: -199.072 flat angles P-C4'-P energy: -118.487 tors. eta vs tors. theta energy: -241.392 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: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2548.624257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.624257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.624257 (E_RNA) where: Base-Base interactions energy: -1745.818 where: short stacking energy: -730.668 Base-Backbone interact. energy: 2.373 local terms energy: -805.179788 where: bonds (distance) C4'-P energy: -141.633 bonds (distance) P-C4' energy: -171.270 flat angles C4'-P-C4' energy: -166.061 flat angles P-C4'-P energy: -111.080 tors. eta vs tors. theta energy: -215.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2452.045333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.045333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.045333 (E_RNA) where: Base-Base interactions energy: -1670.272 where: short stacking energy: -715.732 Base-Backbone interact. energy: -1.936 local terms energy: -779.837961 where: bonds (distance) C4'-P energy: -149.190 bonds (distance) P-C4' energy: -140.047 flat angles C4'-P-C4' energy: -171.721 flat angles P-C4'-P energy: -112.977 tors. eta vs tors. theta energy: -205.903 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: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2236.016547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.016547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.016547 (E_RNA) where: Base-Base interactions energy: -1515.206 where: short stacking energy: -654.091 Base-Backbone interact. energy: 3.583 local terms energy: -724.394116 where: bonds (distance) C4'-P energy: -156.916 bonds (distance) P-C4' energy: -133.100 flat angles C4'-P-C4' energy: -134.619 flat angles P-C4'-P energy: -104.210 tors. eta vs tors. theta energy: -195.550 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: 7, replica: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1752.181270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.181270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.181270 (E_RNA) where: Base-Base interactions energy: -1128.946 where: short stacking energy: -523.791 Base-Backbone interact. energy: -4.061 local terms energy: -619.173398 where: bonds (distance) C4'-P energy: -128.818 bonds (distance) P-C4' energy: -123.075 flat angles C4'-P-C4' energy: -145.737 flat angles P-C4'-P energy: -102.994 tors. eta vs tors. theta energy: -118.548 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: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1521.310468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.310468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.310468 (E_RNA) where: Base-Base interactions energy: -955.120 where: short stacking energy: -450.076 Base-Backbone interact. energy: -2.432 local terms energy: -563.759042 where: bonds (distance) C4'-P energy: -138.603 bonds (distance) P-C4' energy: -147.236 flat angles C4'-P-C4' energy: -121.551 flat angles P-C4'-P energy: -69.528 tors. eta vs tors. theta energy: -86.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1041.975608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.975608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.975608 (E_RNA) where: Base-Base interactions energy: -558.719 where: short stacking energy: -304.493 Base-Backbone interact. energy: 2.871 local terms energy: -486.127345 where: bonds (distance) C4'-P energy: -124.331 bonds (distance) P-C4' energy: -140.476 flat angles C4'-P-C4' energy: -128.150 flat angles P-C4'-P energy: -86.354 tors. eta vs tors. theta energy: -6.817 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: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -974.924679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.924679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.924679 (E_RNA) where: Base-Base interactions energy: -507.996 where: short stacking energy: -230.752 Base-Backbone interact. energy: 0.692 local terms energy: -467.620115 where: bonds (distance) C4'-P energy: -123.912 bonds (distance) P-C4' energy: -137.286 flat angles C4'-P-C4' energy: -140.688 flat angles P-C4'-P energy: -68.412 tors. eta vs tors. theta energy: 2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2960.199427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.199427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.199427 (E_RNA) where: Base-Base interactions energy: -2032.191 where: short stacking energy: -856.485 Base-Backbone interact. energy: -4.743 local terms energy: -923.265338 where: bonds (distance) C4'-P energy: -161.595 bonds (distance) P-C4' energy: -160.909 flat angles C4'-P-C4' energy: -193.022 flat angles P-C4'-P energy: -140.279 tors. eta vs tors. theta energy: -267.461 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: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2812.866957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.866957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.866957 (E_RNA) where: Base-Base interactions energy: -1914.849 where: short stacking energy: -844.598 Base-Backbone interact. energy: -4.369 local terms energy: -893.649243 where: bonds (distance) C4'-P energy: -140.771 bonds (distance) P-C4' energy: -171.870 flat angles C4'-P-C4' energy: -188.654 flat angles P-C4'-P energy: -127.082 tors. eta vs tors. theta energy: -265.272 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: 3, replica: 6 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2777.520627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.520627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.520627 (E_RNA) where: Base-Base interactions energy: -1915.021 where: short stacking energy: -793.725 Base-Backbone interact. energy: -2.908 local terms energy: -859.591789 where: bonds (distance) C4'-P energy: -158.571 bonds (distance) P-C4' energy: -154.785 flat angles C4'-P-C4' energy: -172.630 flat angles P-C4'-P energy: -135.557 tors. eta vs tors. theta energy: -238.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2511.628295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.628295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.628295 (E_RNA) where: Base-Base interactions energy: -1702.350 where: short stacking energy: -714.623 Base-Backbone interact. energy: -1.165 local terms energy: -808.113795 where: bonds (distance) C4'-P energy: -155.822 bonds (distance) P-C4' energy: -157.572 flat angles C4'-P-C4' energy: -173.922 flat angles P-C4'-P energy: -114.578 tors. eta vs tors. theta energy: -206.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2463.050911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.050911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.050911 (E_RNA) where: Base-Base interactions energy: -1684.478 where: short stacking energy: -708.691 Base-Backbone interact. energy: -0.465 local terms energy: -778.108300 where: bonds (distance) C4'-P energy: -156.323 bonds (distance) P-C4' energy: -139.305 flat angles C4'-P-C4' energy: -160.521 flat angles P-C4'-P energy: -109.198 tors. eta vs tors. theta energy: -212.760 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: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2279.667126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.667126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.667126 (E_RNA) where: Base-Base interactions energy: -1518.714 where: short stacking energy: -644.207 Base-Backbone interact. energy: -2.807 local terms energy: -758.146351 where: bonds (distance) C4'-P energy: -150.150 bonds (distance) P-C4' energy: -131.226 flat angles C4'-P-C4' energy: -156.671 flat angles P-C4'-P energy: -118.723 tors. eta vs tors. theta energy: -201.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1734.410256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.410256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.410256 (E_RNA) where: Base-Base interactions energy: -1120.617 where: short stacking energy: -493.017 Base-Backbone interact. energy: -1.204 local terms energy: -612.589093 where: bonds (distance) C4'-P energy: -127.374 bonds (distance) P-C4' energy: -155.263 flat angles C4'-P-C4' energy: -129.712 flat angles P-C4'-P energy: -94.964 tors. eta vs tors. theta energy: -105.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1545.922643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.922643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.922643 (E_RNA) where: Base-Base interactions energy: -960.025 where: short stacking energy: -442.950 Base-Backbone interact. energy: -2.668 local terms energy: -583.229453 where: bonds (distance) C4'-P energy: -134.210 bonds (distance) P-C4' energy: -128.718 flat angles C4'-P-C4' energy: -148.944 flat angles P-C4'-P energy: -85.893 tors. eta vs tors. theta energy: -85.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1101.584132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.584132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.584132 (E_RNA) where: Base-Base interactions energy: -632.648 where: short stacking energy: -319.073 Base-Backbone interact. energy: 1.749 local terms energy: -470.685683 where: bonds (distance) C4'-P energy: -125.794 bonds (distance) P-C4' energy: -144.787 flat angles C4'-P-C4' energy: -122.206 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -32.028 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: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -926.148551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.148551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.148551 (E_RNA) where: Base-Base interactions energy: -474.873 where: short stacking energy: -247.673 Base-Backbone interact. energy: -0.423 local terms energy: -450.852086 where: bonds (distance) C4'-P energy: -133.369 bonds (distance) P-C4' energy: -122.655 flat angles C4'-P-C4' energy: -127.452 flat angles P-C4'-P energy: -75.930 tors. eta vs tors. theta energy: 8.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2924.938204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.938204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.938204 (E_RNA) where: Base-Base interactions energy: -2020.706 where: short stacking energy: -872.953 Base-Backbone interact. energy: -2.703 local terms energy: -901.529242 where: bonds (distance) C4'-P energy: -166.897 bonds (distance) P-C4' energy: -150.712 flat angles C4'-P-C4' energy: -198.616 flat angles P-C4'-P energy: -123.541 tors. eta vs tors. theta energy: -261.763 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: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2798.220622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.220622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.220622 (E_RNA) where: Base-Base interactions energy: -1929.979 where: short stacking energy: -852.746 Base-Backbone interact. energy: -1.351 local terms energy: -866.890379 where: bonds (distance) C4'-P energy: -136.218 bonds (distance) P-C4' energy: -160.940 flat angles C4'-P-C4' energy: -190.599 flat angles P-C4'-P energy: -109.387 tors. eta vs tors. theta energy: -269.746 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: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2750.901706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.901706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.901706 (E_RNA) where: Base-Base interactions energy: -1892.689 where: short stacking energy: -797.265 Base-Backbone interact. energy: -1.308 local terms energy: -856.904645 where: bonds (distance) C4'-P energy: -147.642 bonds (distance) P-C4' energy: -165.303 flat angles C4'-P-C4' energy: -190.572 flat angles P-C4'-P energy: -123.191 tors. eta vs tors. theta energy: -230.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2478.947615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.947615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.947615 (E_RNA) where: Base-Base interactions energy: -1714.099 where: short stacking energy: -708.047 Base-Backbone interact. energy: -1.518 local terms energy: -763.330556 where: bonds (distance) C4'-P energy: -133.175 bonds (distance) P-C4' energy: -154.065 flat angles C4'-P-C4' energy: -179.354 flat angles P-C4'-P energy: -106.655 tors. eta vs tors. theta energy: -190.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2494.691344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.691344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.691344 (E_RNA) where: Base-Base interactions energy: -1702.622 where: short stacking energy: -720.227 Base-Backbone interact. energy: -2.829 local terms energy: -789.239976 where: bonds (distance) C4'-P energy: -147.099 bonds (distance) P-C4' energy: -131.068 flat angles C4'-P-C4' energy: -177.972 flat angles P-C4'-P energy: -104.264 tors. eta vs tors. theta energy: -228.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2265.132179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.132179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.132179 (E_RNA) where: Base-Base interactions energy: -1523.475 where: short stacking energy: -667.620 Base-Backbone interact. energy: -0.620 local terms energy: -741.037104 where: bonds (distance) C4'-P energy: -154.278 bonds (distance) P-C4' energy: -144.598 flat angles C4'-P-C4' energy: -153.185 flat angles P-C4'-P energy: -100.420 tors. eta vs tors. theta energy: -188.556 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: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1781.166785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.166785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.166785 (E_RNA) where: Base-Base interactions energy: -1151.881 where: short stacking energy: -534.387 Base-Backbone interact. energy: -2.348 local terms energy: -626.937762 where: bonds (distance) C4'-P energy: -136.923 bonds (distance) P-C4' energy: -135.000 flat angles C4'-P-C4' energy: -155.862 flat angles P-C4'-P energy: -90.116 tors. eta vs tors. theta energy: -109.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1565.410290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.410290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.410290 (E_RNA) where: Base-Base interactions energy: -954.858 where: short stacking energy: -461.499 Base-Backbone interact. energy: -1.407 local terms energy: -609.145396 where: bonds (distance) C4'-P energy: -120.130 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -154.907 flat angles P-C4'-P energy: -94.064 tors. eta vs tors. theta energy: -87.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1059.542765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.542765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.542765 (E_RNA) where: Base-Base interactions energy: -563.359 where: short stacking energy: -326.333 Base-Backbone interact. energy: -2.462 local terms energy: -493.722013 where: bonds (distance) C4'-P energy: -138.555 bonds (distance) P-C4' energy: -148.570 flat angles C4'-P-C4' energy: -128.369 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -29.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -887.544931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.544931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.544931 (E_RNA) where: Base-Base interactions energy: -438.260 where: short stacking energy: -247.542 Base-Backbone interact. energy: 0.819 local terms energy: -450.104059 where: bonds (distance) C4'-P energy: -135.095 bonds (distance) P-C4' energy: -128.916 flat angles C4'-P-C4' energy: -120.008 flat angles P-C4'-P energy: -66.059 tors. eta vs tors. theta energy: -0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2922.760970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.760970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.760970 (E_RNA) where: Base-Base interactions energy: -2033.158 where: short stacking energy: -851.901 Base-Backbone interact. energy: -3.861 local terms energy: -885.742806 where: bonds (distance) C4'-P energy: -150.849 bonds (distance) P-C4' energy: -170.384 flat angles C4'-P-C4' energy: -183.297 flat angles P-C4'-P energy: -122.709 tors. eta vs tors. theta energy: -258.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2800.204076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.204076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.204076 (E_RNA) where: Base-Base interactions energy: -1898.643 where: short stacking energy: -853.576 Base-Backbone interact. energy: -1.624 local terms energy: -899.936564 where: bonds (distance) C4'-P energy: -162.707 bonds (distance) P-C4' energy: -177.821 flat angles C4'-P-C4' energy: -184.606 flat angles P-C4'-P energy: -125.630 tors. eta vs tors. theta energy: -249.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2752.630991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.630991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.630991 (E_RNA) where: Base-Base interactions energy: -1908.650 where: short stacking energy: -820.756 Base-Backbone interact. energy: -3.028 local terms energy: -840.953470 where: bonds (distance) C4'-P energy: -157.752 bonds (distance) P-C4' energy: -153.087 flat angles C4'-P-C4' energy: -179.606 flat angles P-C4'-P energy: -122.956 tors. eta vs tors. theta energy: -227.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2461.788067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.788067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.788067 (E_RNA) where: Base-Base interactions energy: -1669.976 where: short stacking energy: -711.079 Base-Backbone interact. energy: -3.721 local terms energy: -788.091191 where: bonds (distance) C4'-P energy: -150.178 bonds (distance) P-C4' energy: -153.852 flat angles C4'-P-C4' energy: -163.730 flat angles P-C4'-P energy: -116.210 tors. eta vs tors. theta energy: -204.122 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: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2487.338311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.338311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.338311 (E_RNA) where: Base-Base interactions energy: -1697.687 where: short stacking energy: -728.376 Base-Backbone interact. energy: -3.215 local terms energy: -786.436210 where: bonds (distance) C4'-P energy: -136.899 bonds (distance) P-C4' energy: -126.071 flat angles C4'-P-C4' energy: -177.348 flat angles P-C4'-P energy: -121.617 tors. eta vs tors. theta energy: -224.500 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: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2298.130169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.130169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.130169 (E_RNA) where: Base-Base interactions energy: -1546.872 where: short stacking energy: -672.117 Base-Backbone interact. energy: 1.169 local terms energy: -752.427468 where: bonds (distance) C4'-P energy: -148.511 bonds (distance) P-C4' energy: -147.931 flat angles C4'-P-C4' energy: -161.048 flat angles P-C4'-P energy: -96.376 tors. eta vs tors. theta energy: -198.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1729.067481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.067481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.067481 (E_RNA) where: Base-Base interactions energy: -1114.236 where: short stacking energy: -483.484 Base-Backbone interact. energy: -0.447 local terms energy: -614.384374 where: bonds (distance) C4'-P energy: -115.045 bonds (distance) P-C4' energy: -148.703 flat angles C4'-P-C4' energy: -151.746 flat angles P-C4'-P energy: -84.721 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: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1538.852378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.852378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.852378 (E_RNA) where: Base-Base interactions energy: -963.068 where: short stacking energy: -468.695 Base-Backbone interact. energy: -2.225 local terms energy: -573.559445 where: bonds (distance) C4'-P energy: -133.112 bonds (distance) P-C4' energy: -122.124 flat angles C4'-P-C4' energy: -149.050 flat angles P-C4'-P energy: -81.409 tors. eta vs tors. theta energy: -87.864 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: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -989.482089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.482089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.482089 (E_RNA) where: Base-Base interactions energy: -541.347 where: short stacking energy: -276.268 Base-Backbone interact. energy: 3.462 local terms energy: -451.597081 where: bonds (distance) C4'-P energy: -135.068 bonds (distance) P-C4' energy: -155.918 flat angles C4'-P-C4' energy: -107.248 flat angles P-C4'-P energy: -54.235 tors. eta vs tors. theta energy: 0.872 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: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -936.732795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.732795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.732795 (E_RNA) where: Base-Base interactions energy: -519.920 where: short stacking energy: -271.964 Base-Backbone interact. energy: -0.364 local terms energy: -416.448160 where: bonds (distance) C4'-P energy: -124.950 bonds (distance) P-C4' energy: -121.819 flat angles C4'-P-C4' energy: -122.510 flat angles P-C4'-P energy: -56.904 tors. eta vs tors. theta energy: 9.735 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: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2939.271004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.271004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.271004 (E_RNA) where: Base-Base interactions energy: -2030.362 where: short stacking energy: -873.715 Base-Backbone interact. energy: -4.475 local terms energy: -904.433253 where: bonds (distance) C4'-P energy: -157.126 bonds (distance) P-C4' energy: -163.649 flat angles C4'-P-C4' energy: -192.425 flat angles P-C4'-P energy: -126.370 tors. eta vs tors. theta energy: -264.863 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: 379 Temperature: 0.950000 Total energy: -2769.539193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.539193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.539193 (E_RNA) where: Base-Base interactions energy: -1874.119 where: short stacking energy: -776.817 Base-Backbone interact. energy: -4.985 local terms energy: -890.434567 where: bonds (distance) C4'-P energy: -157.879 bonds (distance) P-C4' energy: -174.398 flat angles C4'-P-C4' energy: -191.179 flat angles P-C4'-P energy: -117.450 tors. eta vs tors. theta energy: -249.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2751.270489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.270489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.270489 (E_RNA) where: Base-Base interactions energy: -1903.286 where: short stacking energy: -806.428 Base-Backbone interact. energy: -0.482 local terms energy: -847.502482 where: bonds (distance) C4'-P energy: -145.121 bonds (distance) P-C4' energy: -166.214 flat angles C4'-P-C4' energy: -186.296 flat angles P-C4'-P energy: -111.744 tors. eta vs tors. theta energy: -238.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2485.311011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.311011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.311011 (E_RNA) where: Base-Base interactions energy: -1702.802 where: short stacking energy: -716.086 Base-Backbone interact. energy: -4.904 local terms energy: -777.605454 where: bonds (distance) C4'-P energy: -145.070 bonds (distance) P-C4' energy: -144.189 flat angles C4'-P-C4' energy: -173.842 flat angles P-C4'-P energy: -108.534 tors. eta vs tors. theta energy: -205.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2468.314071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.314071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.314071 (E_RNA) where: Base-Base interactions energy: -1679.024 where: short stacking energy: -734.622 Base-Backbone interact. energy: 2.204 local terms energy: -791.494835 where: bonds (distance) C4'-P energy: -150.798 bonds (distance) P-C4' energy: -137.226 flat angles C4'-P-C4' energy: -174.976 flat angles P-C4'-P energy: -106.371 tors. eta vs tors. theta energy: -222.124 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: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2303.377154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.377154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.377154 (E_RNA) where: Base-Base interactions energy: -1533.656 where: short stacking energy: -671.176 Base-Backbone interact. energy: 8.089 local terms energy: -777.810794 where: bonds (distance) C4'-P energy: -152.317 bonds (distance) P-C4' energy: -153.442 flat angles C4'-P-C4' energy: -161.670 flat angles P-C4'-P energy: -113.372 tors. eta vs tors. theta energy: -197.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1810.966865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.966865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.966865 (E_RNA) where: Base-Base interactions energy: -1170.165 where: short stacking energy: -515.503 Base-Backbone interact. energy: 1.880 local terms energy: -642.681810 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -152.758 flat angles C4'-P-C4' energy: -158.380 flat angles P-C4'-P energy: -79.475 tors. eta vs tors. theta energy: -117.707 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: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1461.500456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.500456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.500456 (E_RNA) where: Base-Base interactions energy: -880.180 where: short stacking energy: -434.389 Base-Backbone interact. energy: 2.678 local terms energy: -583.998959 where: bonds (distance) C4'-P energy: -132.534 bonds (distance) P-C4' energy: -135.281 flat angles C4'-P-C4' energy: -147.016 flat angles P-C4'-P energy: -83.108 tors. eta vs tors. theta energy: -86.060 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: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1030.149528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.149528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.149528 (E_RNA) where: Base-Base interactions energy: -520.919 where: short stacking energy: -261.567 Base-Backbone interact. energy: 5.899 local terms energy: -515.129390 where: bonds (distance) C4'-P energy: -141.427 bonds (distance) P-C4' energy: -154.611 flat angles C4'-P-C4' energy: -127.983 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: -11.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -988.756470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.756470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.756470 (E_RNA) where: Base-Base interactions energy: -499.363 where: short stacking energy: -273.217 Base-Backbone interact. energy: 1.440 local terms energy: -490.832709 where: bonds (distance) C4'-P energy: -131.994 bonds (distance) P-C4' energy: -132.628 flat angles C4'-P-C4' energy: -138.071 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -20.826 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: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2943.279320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.279320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.279320 (E_RNA) where: Base-Base interactions energy: -2025.931 where: short stacking energy: -865.924 Base-Backbone interact. energy: -2.549 local terms energy: -914.798488 where: bonds (distance) C4'-P energy: -168.640 bonds (distance) P-C4' energy: -181.337 flat angles C4'-P-C4' energy: -186.260 flat angles P-C4'-P energy: -123.268 tors. eta vs tors. theta energy: -255.293 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: 380 Temperature: 0.950000 Total energy: -2743.847081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.847081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.847081 (E_RNA) where: Base-Base interactions energy: -1855.120 where: short stacking energy: -800.626 Base-Backbone interact. energy: -8.243 local terms energy: -880.483959 where: bonds (distance) C4'-P energy: -159.757 bonds (distance) P-C4' energy: -174.478 flat angles C4'-P-C4' energy: -188.947 flat angles P-C4'-P energy: -122.985 tors. eta vs tors. theta energy: -234.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2735.080021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.080021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.080021 (E_RNA) where: Base-Base interactions energy: -1900.705 where: short stacking energy: -763.982 Base-Backbone interact. energy: -4.284 local terms energy: -830.091131 where: bonds (distance) C4'-P energy: -134.091 bonds (distance) P-C4' energy: -166.075 flat angles C4'-P-C4' energy: -176.748 flat angles P-C4'-P energy: -110.612 tors. eta vs tors. theta energy: -242.566 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: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2423.712989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.712989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.712989 (E_RNA) where: Base-Base interactions energy: -1644.568 where: short stacking energy: -702.630 Base-Backbone interact. energy: 0.375 local terms energy: -779.520447 where: bonds (distance) C4'-P energy: -139.511 bonds (distance) P-C4' energy: -163.782 flat angles C4'-P-C4' energy: -173.303 flat angles P-C4'-P energy: -109.190 tors. eta vs tors. theta energy: -193.735 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: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2411.717277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.717277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.717277 (E_RNA) where: Base-Base interactions energy: -1635.881 where: short stacking energy: -703.873 Base-Backbone interact. energy: -6.258 local terms energy: -769.577984 where: bonds (distance) C4'-P energy: -133.181 bonds (distance) P-C4' energy: -141.112 flat angles C4'-P-C4' energy: -178.168 flat angles P-C4'-P energy: -107.496 tors. eta vs tors. theta energy: -209.621 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: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2246.181777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.181777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.181777 (E_RNA) where: Base-Base interactions energy: -1525.765 where: short stacking energy: -637.915 Base-Backbone interact. energy: -2.636 local terms energy: -717.780419 where: bonds (distance) C4'-P energy: -130.162 bonds (distance) P-C4' energy: -149.881 flat angles C4'-P-C4' energy: -144.777 flat angles P-C4'-P energy: -96.242 tors. eta vs tors. theta energy: -196.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1657.000180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.000180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.000180 (E_RNA) where: Base-Base interactions energy: -1051.387 where: short stacking energy: -449.977 Base-Backbone interact. energy: 3.821 local terms energy: -609.433906 where: bonds (distance) C4'-P energy: -138.859 bonds (distance) P-C4' energy: -155.874 flat angles C4'-P-C4' energy: -132.308 flat angles P-C4'-P energy: -101.787 tors. eta vs tors. theta energy: -80.606 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: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1510.225298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.225298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.225298 (E_RNA) where: Base-Base interactions energy: -944.652 where: short stacking energy: -439.767 Base-Backbone interact. energy: 12.106 local terms energy: -577.678895 where: bonds (distance) C4'-P energy: -126.115 bonds (distance) P-C4' energy: -149.970 flat angles C4'-P-C4' energy: -127.289 flat angles P-C4'-P energy: -99.019 tors. eta vs tors. theta energy: -75.286 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: 380 Temperature: 1.300000 Total energy: -1024.116902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.116902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.116902 (E_RNA) where: Base-Base interactions energy: -534.841 where: short stacking energy: -291.147 Base-Backbone interact. energy: -0.223 local terms energy: -489.053195 where: bonds (distance) C4'-P energy: -132.245 bonds (distance) P-C4' energy: -154.921 flat angles C4'-P-C4' energy: -108.028 flat angles P-C4'-P energy: -71.462 tors. eta vs tors. theta energy: -22.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -955.029390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.029390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.029390 (E_RNA) where: Base-Base interactions energy: -519.576 where: short stacking energy: -262.284 Base-Backbone interact. energy: -0.309 local terms energy: -435.144177 where: bonds (distance) C4'-P energy: -132.701 bonds (distance) P-C4' energy: -138.523 flat angles C4'-P-C4' energy: -114.047 flat angles P-C4'-P energy: -61.063 tors. eta vs tors. theta energy: 11.189 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: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2951.896516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.896516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.896516 (E_RNA) where: Base-Base interactions energy: -2052.535 where: short stacking energy: -877.694 Base-Backbone interact. energy: -0.911 local terms energy: -898.450519 where: bonds (distance) C4'-P energy: -150.483 bonds (distance) P-C4' energy: -173.502 flat angles C4'-P-C4' energy: -180.907 flat angles P-C4'-P energy: -126.659 tors. eta vs tors. theta energy: -266.900 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: 2, replica: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2823.471087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.471087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.471087 (E_RNA) where: Base-Base interactions energy: -1953.368 where: short stacking energy: -828.109 Base-Backbone interact. energy: -3.129 local terms energy: -866.974386 where: bonds (distance) C4'-P energy: -152.683 bonds (distance) P-C4' energy: -178.311 flat angles C4'-P-C4' energy: -165.034 flat angles P-C4'-P energy: -129.847 tors. eta vs tors. theta energy: -241.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2699.167573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.167573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.167573 (E_RNA) where: Base-Base interactions energy: -1849.310 where: short stacking energy: -749.085 Base-Backbone interact. energy: -0.629 local terms energy: -849.228489 where: bonds (distance) C4'-P energy: -163.961 bonds (distance) P-C4' energy: -157.863 flat angles C4'-P-C4' energy: -179.985 flat angles P-C4'-P energy: -109.202 tors. eta vs tors. theta energy: -238.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2526.808216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.808216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.808216 (E_RNA) where: Base-Base interactions energy: -1699.893 where: short stacking energy: -718.156 Base-Backbone interact. energy: -2.446 local terms energy: -824.468655 where: bonds (distance) C4'-P energy: -143.491 bonds (distance) P-C4' energy: -155.061 flat angles C4'-P-C4' energy: -178.991 flat angles P-C4'-P energy: -118.864 tors. eta vs tors. theta energy: -228.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2384.523910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.523910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.523910 (E_RNA) where: Base-Base interactions energy: -1634.046 where: short stacking energy: -663.888 Base-Backbone interact. energy: -1.246 local terms energy: -749.231986 where: bonds (distance) C4'-P energy: -141.621 bonds (distance) P-C4' energy: -149.274 flat angles C4'-P-C4' energy: -171.712 flat angles P-C4'-P energy: -96.019 tors. eta vs tors. theta energy: -190.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2272.551618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.551618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.551618 (E_RNA) where: Base-Base interactions energy: -1539.912 where: short stacking energy: -656.443 Base-Backbone interact. energy: 4.168 local terms energy: -736.807870 where: bonds (distance) C4'-P energy: -141.754 bonds (distance) P-C4' energy: -135.586 flat angles C4'-P-C4' energy: -176.793 flat angles P-C4'-P energy: -86.969 tors. eta vs tors. theta energy: -195.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1695.726493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.726493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.726493 (E_RNA) where: Base-Base interactions energy: -1087.440 where: short stacking energy: -488.364 Base-Backbone interact. energy: -2.009 local terms energy: -606.277088 where: bonds (distance) C4'-P energy: -138.452 bonds (distance) P-C4' energy: -150.503 flat angles C4'-P-C4' energy: -136.282 flat angles P-C4'-P energy: -85.619 tors. eta vs tors. theta energy: -95.421 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: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1571.428634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.428634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.428634 (E_RNA) where: Base-Base interactions energy: -963.856 where: short stacking energy: -429.060 Base-Backbone interact. energy: -1.162 local terms energy: -606.410416 where: bonds (distance) C4'-P energy: -121.956 bonds (distance) P-C4' energy: -132.156 flat angles C4'-P-C4' energy: -148.121 flat angles P-C4'-P energy: -100.616 tors. eta vs tors. theta energy: -103.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1120.745933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.745933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.745933 (E_RNA) where: Base-Base interactions energy: -614.118 where: short stacking energy: -344.571 Base-Backbone interact. energy: 5.368 local terms energy: -511.995999 where: bonds (distance) C4'-P energy: -138.233 bonds (distance) P-C4' energy: -128.716 flat angles C4'-P-C4' energy: -124.754 flat angles P-C4'-P energy: -93.206 tors. eta vs tors. theta energy: -27.087 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: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -982.491311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.491311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.491311 (E_RNA) where: Base-Base interactions energy: -528.747 where: short stacking energy: -296.500 Base-Backbone interact. energy: 6.633 local terms energy: -460.377468 where: bonds (distance) C4'-P energy: -150.925 bonds (distance) P-C4' energy: -138.686 flat angles C4'-P-C4' energy: -96.939 flat angles P-C4'-P energy: -52.364 tors. eta vs tors. theta energy: -21.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2927.073597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.073597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.073597 (E_RNA) where: Base-Base interactions energy: -2024.844 where: short stacking energy: -873.393 Base-Backbone interact. energy: -3.449 local terms energy: -898.780355 where: bonds (distance) C4'-P energy: -167.623 bonds (distance) P-C4' energy: -152.634 flat angles C4'-P-C4' energy: -180.761 flat angles P-C4'-P energy: -121.349 tors. eta vs tors. theta energy: -276.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2816.069910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.069910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.069910 (E_RNA) where: Base-Base interactions energy: -1944.358 where: short stacking energy: -800.717 Base-Backbone interact. energy: -3.068 local terms energy: -868.644778 where: bonds (distance) C4'-P energy: -152.908 bonds (distance) P-C4' energy: -165.705 flat angles C4'-P-C4' energy: -192.048 flat angles P-C4'-P energy: -118.165 tors. eta vs tors. theta energy: -239.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2673.657158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.657158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.657158 (E_RNA) where: Base-Base interactions energy: -1809.638 where: short stacking energy: -777.175 Base-Backbone interact. energy: -4.740 local terms energy: -859.279723 where: bonds (distance) C4'-P energy: -160.649 bonds (distance) P-C4' energy: -166.220 flat angles C4'-P-C4' energy: -169.634 flat angles P-C4'-P energy: -117.490 tors. eta vs tors. theta energy: -245.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2547.209785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.209785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.209785 (E_RNA) where: Base-Base interactions energy: -1717.019 where: short stacking energy: -740.714 Base-Backbone interact. energy: -2.191 local terms energy: -827.999816 where: bonds (distance) C4'-P energy: -162.461 bonds (distance) P-C4' energy: -148.792 flat angles C4'-P-C4' energy: -183.423 flat angles P-C4'-P energy: -106.699 tors. eta vs tors. theta energy: -226.624 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: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2423.971248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.971248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.971248 (E_RNA) where: Base-Base interactions energy: -1632.429 where: short stacking energy: -670.918 Base-Backbone interact. energy: -3.021 local terms energy: -788.521547 where: bonds (distance) C4'-P energy: -164.015 bonds (distance) P-C4' energy: -167.166 flat angles C4'-P-C4' energy: -167.762 flat angles P-C4'-P energy: -100.033 tors. eta vs tors. theta energy: -189.545 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: 1 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2294.917281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.917281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.917281 (E_RNA) where: Base-Base interactions energy: -1545.879 where: short stacking energy: -660.733 Base-Backbone interact. energy: 0.210 local terms energy: -749.248376 where: bonds (distance) C4'-P energy: -139.413 bonds (distance) P-C4' energy: -148.646 flat angles C4'-P-C4' energy: -188.140 flat angles P-C4'-P energy: -95.494 tors. eta vs tors. theta energy: -177.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1747.333709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.333709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.333709 (E_RNA) where: Base-Base interactions energy: -1097.418 where: short stacking energy: -499.827 Base-Backbone interact. energy: 4.450 local terms energy: -654.366216 where: bonds (distance) C4'-P energy: -150.093 bonds (distance) P-C4' energy: -134.709 flat angles C4'-P-C4' energy: -155.789 flat angles P-C4'-P energy: -106.001 tors. eta vs tors. theta energy: -107.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1501.602728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.602728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.602728 (E_RNA) where: Base-Base interactions energy: -927.146 where: short stacking energy: -424.125 Base-Backbone interact. energy: 0.557 local terms energy: -575.013736 where: bonds (distance) C4'-P energy: -126.099 bonds (distance) P-C4' energy: -128.023 flat angles C4'-P-C4' energy: -143.239 flat angles P-C4'-P energy: -88.231 tors. eta vs tors. theta energy: -89.423 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: 4 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -973.513893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.513893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.513893 (E_RNA) where: Base-Base interactions energy: -494.401 where: short stacking energy: -265.916 Base-Backbone interact. energy: -2.701 local terms energy: -476.411700 where: bonds (distance) C4'-P energy: -148.119 bonds (distance) P-C4' energy: -138.460 flat angles C4'-P-C4' energy: -134.950 flat angles P-C4'-P energy: -50.642 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -929.841886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.841886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.841886 (E_RNA) where: Base-Base interactions energy: -463.630 where: short stacking energy: -238.562 Base-Backbone interact. energy: 6.835 local terms energy: -473.047284 where: bonds (distance) C4'-P energy: -153.455 bonds (distance) P-C4' energy: -120.864 flat angles C4'-P-C4' energy: -102.703 flat angles P-C4'-P energy: -93.369 tors. eta vs tors. theta energy: -2.655 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: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2900.939334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.939334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.939334 (E_RNA) where: Base-Base interactions energy: -1981.144 where: short stacking energy: -845.942 Base-Backbone interact. energy: -3.936 local terms energy: -915.858733 where: bonds (distance) C4'-P energy: -172.755 bonds (distance) P-C4' energy: -174.096 flat angles C4'-P-C4' energy: -182.384 flat angles P-C4'-P energy: -122.047 tors. eta vs tors. theta energy: -264.577 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: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2810.902695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.902695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.902695 (E_RNA) where: Base-Base interactions energy: -1957.980 where: short stacking energy: -807.514 Base-Backbone interact. energy: -1.377 local terms energy: -851.545361 where: bonds (distance) C4'-P energy: -167.564 bonds (distance) P-C4' energy: -145.475 flat angles C4'-P-C4' energy: -180.632 flat angles P-C4'-P energy: -121.326 tors. eta vs tors. theta energy: -236.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2628.727271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.727271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.727271 (E_RNA) where: Base-Base interactions energy: -1770.632 where: short stacking energy: -771.365 Base-Backbone interact. energy: -4.116 local terms energy: -853.979285 where: bonds (distance) C4'-P energy: -161.007 bonds (distance) P-C4' energy: -157.196 flat angles C4'-P-C4' energy: -175.272 flat angles P-C4'-P energy: -125.700 tors. eta vs tors. theta energy: -234.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2555.993801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.993801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.993801 (E_RNA) where: Base-Base interactions energy: -1735.898 where: short stacking energy: -732.787 Base-Backbone interact. energy: -3.522 local terms energy: -816.574138 where: bonds (distance) C4'-P energy: -146.180 bonds (distance) P-C4' energy: -158.621 flat angles C4'-P-C4' energy: -176.773 flat angles P-C4'-P energy: -108.130 tors. eta vs tors. theta energy: -226.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2408.411406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.411406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.411406 (E_RNA) where: Base-Base interactions energy: -1619.282 where: short stacking energy: -677.925 Base-Backbone interact. energy: -1.477 local terms energy: -787.652198 where: bonds (distance) C4'-P energy: -149.364 bonds (distance) P-C4' energy: -160.964 flat angles C4'-P-C4' energy: -166.485 flat angles P-C4'-P energy: -110.288 tors. eta vs tors. theta energy: -200.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2279.870483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.870483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.870483 (E_RNA) where: Base-Base interactions energy: -1524.066 where: short stacking energy: -672.355 Base-Backbone interact. energy: 0.600 local terms energy: -756.404634 where: bonds (distance) C4'-P energy: -143.434 bonds (distance) P-C4' energy: -128.026 flat angles C4'-P-C4' energy: -167.633 flat angles P-C4'-P energy: -97.661 tors. eta vs tors. theta energy: -219.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1741.778329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.778329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.778329 (E_RNA) where: Base-Base interactions energy: -1125.451 where: short stacking energy: -520.905 Base-Backbone interact. energy: 0.902 local terms energy: -617.229286 where: bonds (distance) C4'-P energy: -151.386 bonds (distance) P-C4' energy: -132.753 flat angles C4'-P-C4' energy: -128.209 flat angles P-C4'-P energy: -89.320 tors. eta vs tors. theta energy: -115.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1510.577114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.577114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.577114 (E_RNA) where: Base-Base interactions energy: -955.404 where: short stacking energy: -463.625 Base-Backbone interact. energy: -3.534 local terms energy: -551.639564 where: bonds (distance) C4'-P energy: -132.207 bonds (distance) P-C4' energy: -126.257 flat angles C4'-P-C4' energy: -133.338 flat angles P-C4'-P energy: -68.644 tors. eta vs tors. theta energy: -91.193 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: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1010.075528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.075528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.075528 (E_RNA) where: Base-Base interactions energy: -515.917 where: short stacking energy: -307.793 Base-Backbone interact. energy: 8.037 local terms energy: -502.194914 where: bonds (distance) C4'-P energy: -128.303 bonds (distance) P-C4' energy: -134.525 flat angles C4'-P-C4' energy: -131.434 flat angles P-C4'-P energy: -82.542 tors. eta vs tors. theta energy: -25.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -973.649712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.649712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.649712 (E_RNA) where: Base-Base interactions energy: -515.066 where: short stacking energy: -281.496 Base-Backbone interact. energy: 3.331 local terms energy: -461.915250 where: bonds (distance) C4'-P energy: -123.232 bonds (distance) P-C4' energy: -141.230 flat angles C4'-P-C4' energy: -118.062 flat angles P-C4'-P energy: -45.468 tors. eta vs tors. theta energy: -33.923 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: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2924.612413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.612413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.612413 (E_RNA) where: Base-Base interactions energy: -1996.533 where: short stacking energy: -862.999 Base-Backbone interact. energy: -2.592 local terms energy: -925.487368 where: bonds (distance) C4'-P energy: -169.219 bonds (distance) P-C4' energy: -171.561 flat angles C4'-P-C4' energy: -196.706 flat angles P-C4'-P energy: -111.685 tors. eta vs tors. theta energy: -276.316 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: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2834.839352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.839352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.839352 (E_RNA) where: Base-Base interactions energy: -1950.884 where: short stacking energy: -780.221 Base-Backbone interact. energy: -1.616 local terms energy: -882.338868 where: bonds (distance) C4'-P energy: -169.039 bonds (distance) P-C4' energy: -178.253 flat angles C4'-P-C4' energy: -182.390 flat angles P-C4'-P energy: -128.607 tors. eta vs tors. theta energy: -224.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2661.132628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.132628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.132628 (E_RNA) where: Base-Base interactions energy: -1799.049 where: short stacking energy: -786.003 Base-Backbone interact. energy: -2.850 local terms energy: -859.233838 where: bonds (distance) C4'-P energy: -156.184 bonds (distance) P-C4' energy: -149.081 flat angles C4'-P-C4' energy: -192.406 flat angles P-C4'-P energy: -132.855 tors. eta vs tors. theta energy: -228.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2586.963290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.963290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.963290 (E_RNA) where: Base-Base interactions energy: -1762.017 where: short stacking energy: -778.094 Base-Backbone interact. energy: -2.266 local terms energy: -822.680003 where: bonds (distance) C4'-P energy: -140.599 bonds (distance) P-C4' energy: -147.895 flat angles C4'-P-C4' energy: -175.233 flat angles P-C4'-P energy: -126.155 tors. eta vs tors. theta energy: -232.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2381.698888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.698888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.698888 (E_RNA) where: Base-Base interactions energy: -1604.737 where: short stacking energy: -707.381 Base-Backbone interact. energy: -3.610 local terms energy: -773.351379 where: bonds (distance) C4'-P energy: -141.058 bonds (distance) P-C4' energy: -155.025 flat angles C4'-P-C4' energy: -182.084 flat angles P-C4'-P energy: -98.971 tors. eta vs tors. theta energy: -196.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2255.494200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.494200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.494200 (E_RNA) where: Base-Base interactions energy: -1527.601 where: short stacking energy: -663.950 Base-Backbone interact. energy: 0.076 local terms energy: -727.969104 where: bonds (distance) C4'-P energy: -153.993 bonds (distance) P-C4' energy: -151.727 flat angles C4'-P-C4' energy: -147.539 flat angles P-C4'-P energy: -85.083 tors. eta vs tors. theta energy: -189.628 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: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1741.040704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.040704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.040704 (E_RNA) where: Base-Base interactions energy: -1116.193 where: short stacking energy: -485.502 Base-Backbone interact. energy: 3.353 local terms energy: -628.200894 where: bonds (distance) C4'-P energy: -121.631 bonds (distance) P-C4' energy: -157.717 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -92.260 tors. eta vs tors. theta energy: -100.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1502.761754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.761754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.761754 (E_RNA) where: Base-Base interactions energy: -942.209 where: short stacking energy: -453.853 Base-Backbone interact. energy: 0.688 local terms energy: -561.240688 where: bonds (distance) C4'-P energy: -134.309 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -125.556 flat angles P-C4'-P energy: -85.332 tors. eta vs tors. theta energy: -69.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1022.430401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.430401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.430401 (E_RNA) where: Base-Base interactions energy: -544.659 where: short stacking energy: -294.298 Base-Backbone interact. energy: 3.780 local terms energy: -481.551640 where: bonds (distance) C4'-P energy: -127.601 bonds (distance) P-C4' energy: -136.240 flat angles C4'-P-C4' energy: -130.753 flat angles P-C4'-P energy: -61.439 tors. eta vs tors. theta energy: -25.519 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: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -927.488490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.488490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.488490 (E_RNA) where: Base-Base interactions energy: -468.614 where: short stacking energy: -233.576 Base-Backbone interact. energy: 1.304 local terms energy: -460.178225 where: bonds (distance) C4'-P energy: -139.044 bonds (distance) P-C4' energy: -138.817 flat angles C4'-P-C4' energy: -122.216 flat angles P-C4'-P energy: -77.129 tors. eta vs tors. theta energy: 17.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2930.313761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.313761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.313761 (E_RNA) where: Base-Base interactions energy: -1990.231 where: short stacking energy: -860.171 Base-Backbone interact. energy: -1.720 local terms energy: -938.362671 where: bonds (distance) C4'-P energy: -178.391 bonds (distance) P-C4' energy: -175.230 flat angles C4'-P-C4' energy: -193.515 flat angles P-C4'-P energy: -115.214 tors. eta vs tors. theta energy: -276.012 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: 385 Temperature: 0.950000 Total energy: -2824.491822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.491822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.491822 (E_RNA) where: Base-Base interactions energy: -1967.447 where: short stacking energy: -793.216 Base-Backbone interact. energy: -4.761 local terms energy: -852.283720 where: bonds (distance) C4'-P energy: -169.334 bonds (distance) P-C4' energy: -148.441 flat angles C4'-P-C4' energy: -177.328 flat angles P-C4'-P energy: -123.225 tors. eta vs tors. theta energy: -233.956 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: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2693.521787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.521787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.521787 (E_RNA) where: Base-Base interactions energy: -1850.308 where: short stacking energy: -793.618 Base-Backbone interact. energy: 0.608 local terms energy: -843.821638 where: bonds (distance) C4'-P energy: -152.826 bonds (distance) P-C4' energy: -155.776 flat angles C4'-P-C4' energy: -179.472 flat angles P-C4'-P energy: -108.389 tors. eta vs tors. theta energy: -247.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2552.501996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.501996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.501996 (E_RNA) where: Base-Base interactions energy: -1686.722 where: short stacking energy: -752.998 Base-Backbone interact. energy: -2.148 local terms energy: -863.632175 where: bonds (distance) C4'-P energy: -157.736 bonds (distance) P-C4' energy: -154.369 flat angles C4'-P-C4' energy: -192.876 flat angles P-C4'-P energy: -132.646 tors. eta vs tors. theta energy: -226.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2388.584606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.584606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.584606 (E_RNA) where: Base-Base interactions energy: -1612.072 where: short stacking energy: -697.259 Base-Backbone interact. energy: -2.008 local terms energy: -774.504005 where: bonds (distance) C4'-P energy: -148.134 bonds (distance) P-C4' energy: -148.670 flat angles C4'-P-C4' energy: -169.648 flat angles P-C4'-P energy: -109.204 tors. eta vs tors. theta energy: -198.848 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: 1 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2318.540403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.540403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.540403 (E_RNA) where: Base-Base interactions energy: -1564.181 where: short stacking energy: -658.022 Base-Backbone interact. energy: -1.233 local terms energy: -753.126779 where: bonds (distance) C4'-P energy: -149.487 bonds (distance) P-C4' energy: -134.983 flat angles C4'-P-C4' energy: -165.446 flat angles P-C4'-P energy: -118.780 tors. eta vs tors. theta energy: -184.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1749.311374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.311374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.311374 (E_RNA) where: Base-Base interactions energy: -1122.990 where: short stacking energy: -493.841 Base-Backbone interact. energy: 3.475 local terms energy: -629.796524 where: bonds (distance) C4'-P energy: -119.569 bonds (distance) P-C4' energy: -133.453 flat angles C4'-P-C4' energy: -155.873 flat angles P-C4'-P energy: -100.623 tors. eta vs tors. theta energy: -120.278 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: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1562.126695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.126695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.126695 (E_RNA) where: Base-Base interactions energy: -1004.376 where: short stacking energy: -447.449 Base-Backbone interact. energy: 2.258 local terms energy: -560.008260 where: bonds (distance) C4'-P energy: -126.408 bonds (distance) P-C4' energy: -131.438 flat angles C4'-P-C4' energy: -144.263 flat angles P-C4'-P energy: -78.951 tors. eta vs tors. theta energy: -78.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -987.462076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.462076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.462076 (E_RNA) where: Base-Base interactions energy: -511.907 where: short stacking energy: -284.247 Base-Backbone interact. energy: 5.521 local terms energy: -481.076151 where: bonds (distance) C4'-P energy: -122.704 bonds (distance) P-C4' energy: -154.579 flat angles C4'-P-C4' energy: -125.595 flat angles P-C4'-P energy: -74.709 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -956.875973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.875973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.875973 (E_RNA) where: Base-Base interactions energy: -468.518 where: short stacking energy: -263.824 Base-Backbone interact. energy: -3.111 local terms energy: -485.246963 where: bonds (distance) C4'-P energy: -118.225 bonds (distance) P-C4' energy: -155.000 flat angles C4'-P-C4' energy: -114.649 flat angles P-C4'-P energy: -82.056 tors. eta vs tors. theta energy: -15.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2942.945445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.945445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.945445 (E_RNA) where: Base-Base interactions energy: -2003.317 where: short stacking energy: -852.529 Base-Backbone interact. energy: -1.958 local terms energy: -937.670154 where: bonds (distance) C4'-P energy: -184.189 bonds (distance) P-C4' energy: -165.243 flat angles C4'-P-C4' energy: -191.286 flat angles P-C4'-P energy: -130.225 tors. eta vs tors. theta energy: -266.727 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: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2836.987532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.987532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.987532 (E_RNA) where: Base-Base interactions energy: -1965.298 where: short stacking energy: -768.754 Base-Backbone interact. energy: -6.914 local terms energy: -864.775130 where: bonds (distance) C4'-P energy: -177.345 bonds (distance) P-C4' energy: -160.340 flat angles C4'-P-C4' energy: -174.371 flat angles P-C4'-P energy: -126.718 tors. eta vs tors. theta energy: -226.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2661.485530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.485530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.485530 (E_RNA) where: Base-Base interactions energy: -1818.562 where: short stacking energy: -784.897 Base-Backbone interact. energy: 1.526 local terms energy: -844.449224 where: bonds (distance) C4'-P energy: -163.605 bonds (distance) P-C4' energy: -151.683 flat angles C4'-P-C4' energy: -190.325 flat angles P-C4'-P energy: -97.200 tors. eta vs tors. theta energy: -241.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2554.168606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.168606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.168606 (E_RNA) where: Base-Base interactions energy: -1732.780 where: short stacking energy: -778.222 Base-Backbone interact. energy: -0.063 local terms energy: -821.325912 where: bonds (distance) C4'-P energy: -146.866 bonds (distance) P-C4' energy: -165.713 flat angles C4'-P-C4' energy: -166.957 flat angles P-C4'-P energy: -99.245 tors. eta vs tors. theta energy: -242.546 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: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2447.088862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.088862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.088862 (E_RNA) where: Base-Base interactions energy: -1666.035 where: short stacking energy: -729.021 Base-Backbone interact. energy: -1.832 local terms energy: -779.221870 where: bonds (distance) C4'-P energy: -153.816 bonds (distance) P-C4' energy: -156.645 flat angles C4'-P-C4' energy: -164.587 flat angles P-C4'-P energy: -91.360 tors. eta vs tors. theta energy: -212.813 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: 1 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2285.389230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.389230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.389230 (E_RNA) where: Base-Base interactions energy: -1598.753 where: short stacking energy: -676.219 Base-Backbone interact. energy: -1.593 local terms energy: -685.042400 where: bonds (distance) C4'-P energy: -112.069 bonds (distance) P-C4' energy: -119.332 flat angles C4'-P-C4' energy: -165.692 flat angles P-C4'-P energy: -94.278 tors. eta vs tors. theta energy: -193.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1749.295105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.295105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.295105 (E_RNA) where: Base-Base interactions energy: -1146.029 where: short stacking energy: -542.727 Base-Backbone interact. energy: -0.483 local terms energy: -602.782729 where: bonds (distance) C4'-P energy: -129.179 bonds (distance) P-C4' energy: -148.321 flat angles C4'-P-C4' energy: -133.522 flat angles P-C4'-P energy: -72.620 tors. eta vs tors. theta energy: -119.141 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: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1537.240144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.240144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.240144 (E_RNA) where: Base-Base interactions energy: -962.116 where: short stacking energy: -424.507 Base-Backbone interact. energy: 0.100 local terms energy: -575.223872 where: bonds (distance) C4'-P energy: -139.877 bonds (distance) P-C4' energy: -148.621 flat angles C4'-P-C4' energy: -123.824 flat angles P-C4'-P energy: -98.024 tors. eta vs tors. theta energy: -64.878 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: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1005.589446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.589446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.589446 (E_RNA) where: Base-Base interactions energy: -563.655 where: short stacking energy: -301.206 Base-Backbone interact. energy: 5.299 local terms energy: -447.233750 where: bonds (distance) C4'-P energy: -122.343 bonds (distance) P-C4' energy: -137.863 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -77.448 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -833.064240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.064240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.064240 (E_RNA) where: Base-Base interactions energy: -398.455 where: short stacking energy: -234.094 Base-Backbone interact. energy: 4.747 local terms energy: -439.356598 where: bonds (distance) C4'-P energy: -139.892 bonds (distance) P-C4' energy: -130.581 flat angles C4'-P-C4' energy: -103.390 flat angles P-C4'-P energy: -66.541 tors. eta vs tors. theta energy: 1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2883.652922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.652922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.652922 (E_RNA) where: Base-Base interactions energy: -1990.721 where: short stacking energy: -836.489 Base-Backbone interact. energy: -3.121 local terms energy: -889.810768 where: bonds (distance) C4'-P energy: -148.101 bonds (distance) P-C4' energy: -165.238 flat angles C4'-P-C4' energy: -189.851 flat angles P-C4'-P energy: -127.836 tors. eta vs tors. theta energy: -258.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2804.696668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.696668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.696668 (E_RNA) where: Base-Base interactions energy: -1963.916 where: short stacking energy: -811.779 Base-Backbone interact. energy: 0.584 local terms energy: -841.364876 where: bonds (distance) C4'-P energy: -158.250 bonds (distance) P-C4' energy: -161.634 flat angles C4'-P-C4' energy: -173.439 flat angles P-C4'-P energy: -110.656 tors. eta vs tors. theta energy: -237.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2662.906844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.906844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.906844 (E_RNA) where: Base-Base interactions energy: -1805.212 where: short stacking energy: -805.567 Base-Backbone interact. energy: 2.892 local terms energy: -860.587017 where: bonds (distance) C4'-P energy: -162.816 bonds (distance) P-C4' energy: -141.556 flat angles C4'-P-C4' energy: -182.211 flat angles P-C4'-P energy: -125.222 tors. eta vs tors. theta energy: -248.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2580.941887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.941887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.941887 (E_RNA) where: Base-Base interactions energy: -1750.670 where: short stacking energy: -760.188 Base-Backbone interact. energy: -3.447 local terms energy: -826.824419 where: bonds (distance) C4'-P energy: -157.571 bonds (distance) P-C4' energy: -162.915 flat angles C4'-P-C4' energy: -168.866 flat angles P-C4'-P energy: -105.347 tors. eta vs tors. theta energy: -232.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2399.518331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.518331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.518331 (E_RNA) where: Base-Base interactions energy: -1653.807 where: short stacking energy: -664.386 Base-Backbone interact. energy: -2.563 local terms energy: -743.147427 where: bonds (distance) C4'-P energy: -147.381 bonds (distance) P-C4' energy: -152.973 flat angles C4'-P-C4' energy: -161.355 flat angles P-C4'-P energy: -102.950 tors. eta vs tors. theta energy: -178.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2230.519222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.519222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.519222 (E_RNA) where: Base-Base interactions energy: -1461.754 where: short stacking energy: -647.120 Base-Backbone interact. energy: -2.018 local terms energy: -766.747229 where: bonds (distance) C4'-P energy: -139.853 bonds (distance) P-C4' energy: -158.428 flat angles C4'-P-C4' energy: -164.706 flat angles P-C4'-P energy: -109.387 tors. eta vs tors. theta energy: -194.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1719.800961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.800961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.800961 (E_RNA) where: Base-Base interactions energy: -1099.257 where: short stacking energy: -502.990 Base-Backbone interact. energy: -3.617 local terms energy: -616.926603 where: bonds (distance) C4'-P energy: -137.531 bonds (distance) P-C4' energy: -139.059 flat angles C4'-P-C4' energy: -145.991 flat angles P-C4'-P energy: -83.062 tors. eta vs tors. theta energy: -111.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1549.159716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.159716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.159716 (E_RNA) where: Base-Base interactions energy: -985.617 where: short stacking energy: -431.607 Base-Backbone interact. energy: -4.343 local terms energy: -559.200416 where: bonds (distance) C4'-P energy: -140.637 bonds (distance) P-C4' energy: -117.905 flat angles C4'-P-C4' energy: -130.762 flat angles P-C4'-P energy: -83.790 tors. eta vs tors. theta energy: -86.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1019.530241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.530241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.530241 (E_RNA) where: Base-Base interactions energy: -562.156 where: short stacking energy: -316.103 Base-Backbone interact. energy: -2.405 local terms energy: -454.969504 where: bonds (distance) C4'-P energy: -122.396 bonds (distance) P-C4' energy: -137.799 flat angles C4'-P-C4' energy: -112.454 flat angles P-C4'-P energy: -66.555 tors. eta vs tors. theta energy: -15.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -804.655737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.655737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.655737 (E_RNA) where: Base-Base interactions energy: -387.509 where: short stacking energy: -224.191 Base-Backbone interact. energy: 6.240 local terms energy: -423.386806 where: bonds (distance) C4'-P energy: -136.352 bonds (distance) P-C4' energy: -129.917 flat angles C4'-P-C4' energy: -121.505 flat angles P-C4'-P energy: -63.027 tors. eta vs tors. theta energy: 27.414 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: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2911.980690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.980690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.980690 (E_RNA) where: Base-Base interactions energy: -2020.021 where: short stacking energy: -851.076 Base-Backbone interact. energy: -4.891 local terms energy: -887.068671 where: bonds (distance) C4'-P energy: -168.231 bonds (distance) P-C4' energy: -168.661 flat angles C4'-P-C4' energy: -188.696 flat angles P-C4'-P energy: -116.967 tors. eta vs tors. theta energy: -244.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2816.626820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.626820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.626820 (E_RNA) where: Base-Base interactions energy: -1981.196 where: short stacking energy: -792.705 Base-Backbone interact. energy: 3.714 local terms energy: -839.144615 where: bonds (distance) C4'-P energy: -178.012 bonds (distance) P-C4' energy: -151.548 flat angles C4'-P-C4' energy: -179.162 flat angles P-C4'-P energy: -98.307 tors. eta vs tors. theta energy: -232.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2695.430895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.430895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.430895 (E_RNA) where: Base-Base interactions energy: -1819.677 where: short stacking energy: -812.117 Base-Backbone interact. energy: -2.289 local terms energy: -873.465166 where: bonds (distance) C4'-P energy: -147.132 bonds (distance) P-C4' energy: -164.173 flat angles C4'-P-C4' energy: -192.340 flat angles P-C4'-P energy: -119.901 tors. eta vs tors. theta energy: -249.919 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: 388 Temperature: 1.050000 Total energy: -2575.587114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.587114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.587114 (E_RNA) where: Base-Base interactions energy: -1751.357 where: short stacking energy: -748.099 Base-Backbone interact. energy: -1.947 local terms energy: -822.283281 where: bonds (distance) C4'-P energy: -148.127 bonds (distance) P-C4' energy: -138.836 flat angles C4'-P-C4' energy: -191.996 flat angles P-C4'-P energy: -116.287 tors. eta vs tors. theta energy: -227.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2434.070856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.070856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.070856 (E_RNA) where: Base-Base interactions energy: -1634.747 where: short stacking energy: -714.326 Base-Backbone interact. energy: -2.204 local terms energy: -797.119914 where: bonds (distance) C4'-P energy: -145.078 bonds (distance) P-C4' energy: -150.932 flat angles C4'-P-C4' energy: -176.274 flat angles P-C4'-P energy: -120.716 tors. eta vs tors. theta energy: -204.119 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: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2217.955832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.955832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.955832 (E_RNA) where: Base-Base interactions energy: -1461.058 where: short stacking energy: -659.144 Base-Backbone interact. energy: -2.966 local terms energy: -753.931648 where: bonds (distance) C4'-P energy: -151.751 bonds (distance) P-C4' energy: -157.272 flat angles C4'-P-C4' energy: -161.883 flat angles P-C4'-P energy: -88.401 tors. eta vs tors. theta energy: -194.625 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: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1722.529113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.529113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.529113 (E_RNA) where: Base-Base interactions energy: -1109.360 where: short stacking energy: -480.089 Base-Backbone interact. energy: 0.078 local terms energy: -613.247325 where: bonds (distance) C4'-P energy: -138.861 bonds (distance) P-C4' energy: -134.319 flat angles C4'-P-C4' energy: -146.259 flat angles P-C4'-P energy: -87.743 tors. eta vs tors. theta energy: -106.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1559.018833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.018833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.018833 (E_RNA) where: Base-Base interactions energy: -998.824 where: short stacking energy: -472.776 Base-Backbone interact. energy: 0.229 local terms energy: -560.423538 where: bonds (distance) C4'-P energy: -121.612 bonds (distance) P-C4' energy: -126.936 flat angles C4'-P-C4' energy: -121.721 flat angles P-C4'-P energy: -85.145 tors. eta vs tors. theta energy: -105.010 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: 388 Temperature: 1.300000 Total energy: -1027.211618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.211618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.211618 (E_RNA) where: Base-Base interactions energy: -538.705 where: short stacking energy: -285.239 Base-Backbone interact. energy: -3.525 local terms energy: -484.981689 where: bonds (distance) C4'-P energy: -124.371 bonds (distance) P-C4' energy: -148.216 flat angles C4'-P-C4' energy: -134.317 flat angles P-C4'-P energy: -71.502 tors. eta vs tors. theta energy: -6.576 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: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -856.911968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.911968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.911968 (E_RNA) where: Base-Base interactions energy: -432.804 where: short stacking energy: -222.457 Base-Backbone interact. energy: -0.040 local terms energy: -424.068290 where: bonds (distance) C4'-P energy: -135.522 bonds (distance) P-C4' energy: -132.930 flat angles C4'-P-C4' energy: -92.576 flat angles P-C4'-P energy: -63.408 tors. eta vs tors. theta energy: 0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2912.137150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.137150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.137150 (E_RNA) where: Base-Base interactions energy: -2007.391 where: short stacking energy: -846.409 Base-Backbone interact. energy: -2.678 local terms energy: -902.068730 where: bonds (distance) C4'-P energy: -156.414 bonds (distance) P-C4' energy: -165.802 flat angles C4'-P-C4' energy: -199.291 flat angles P-C4'-P energy: -124.248 tors. eta vs tors. theta energy: -256.313 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: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2862.692707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.692707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.692707 (E_RNA) where: Base-Base interactions energy: -1981.089 where: short stacking energy: -809.125 Base-Backbone interact. energy: -1.277 local terms energy: -880.326883 where: bonds (distance) C4'-P energy: -155.303 bonds (distance) P-C4' energy: -165.919 flat angles C4'-P-C4' energy: -190.064 flat angles P-C4'-P energy: -126.585 tors. eta vs tors. theta energy: -242.456 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: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2659.081025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.081025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.081025 (E_RNA) where: Base-Base interactions energy: -1784.723 where: short stacking energy: -766.592 Base-Backbone interact. energy: -1.421 local terms energy: -872.937096 where: bonds (distance) C4'-P energy: -152.700 bonds (distance) P-C4' energy: -159.012 flat angles C4'-P-C4' energy: -186.850 flat angles P-C4'-P energy: -128.417 tors. eta vs tors. theta energy: -245.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2506.066555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.066555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.066555 (E_RNA) where: Base-Base interactions energy: -1710.757 where: short stacking energy: -737.682 Base-Backbone interact. energy: -2.445 local terms energy: -792.865181 where: bonds (distance) C4'-P energy: -142.139 bonds (distance) P-C4' energy: -149.265 flat angles C4'-P-C4' energy: -163.943 flat angles P-C4'-P energy: -117.798 tors. eta vs tors. theta energy: -219.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2416.949184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.949184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.949184 (E_RNA) where: Base-Base interactions energy: -1631.754 where: short stacking energy: -700.700 Base-Backbone interact. energy: -1.402 local terms energy: -783.793511 where: bonds (distance) C4'-P energy: -148.515 bonds (distance) P-C4' energy: -167.165 flat angles C4'-P-C4' energy: -159.385 flat angles P-C4'-P energy: -113.408 tors. eta vs tors. theta energy: -195.320 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: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2162.110366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.110366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.110366 (E_RNA) where: Base-Base interactions energy: -1452.365 where: short stacking energy: -633.809 Base-Backbone interact. energy: -5.851 local terms energy: -703.894330 where: bonds (distance) C4'-P energy: -145.319 bonds (distance) P-C4' energy: -137.074 flat angles C4'-P-C4' energy: -170.157 flat angles P-C4'-P energy: -88.251 tors. eta vs tors. theta energy: -163.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1686.195735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.195735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.195735 (E_RNA) where: Base-Base interactions energy: -1064.629 where: short stacking energy: -485.093 Base-Backbone interact. energy: 0.231 local terms energy: -621.797044 where: bonds (distance) C4'-P energy: -134.579 bonds (distance) P-C4' energy: -156.593 flat angles C4'-P-C4' energy: -142.550 flat angles P-C4'-P energy: -96.048 tors. eta vs tors. theta energy: -92.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1602.292741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.292741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.292741 (E_RNA) where: Base-Base interactions energy: -998.486 where: short stacking energy: -448.535 Base-Backbone interact. energy: 4.135 local terms energy: -607.940838 where: bonds (distance) C4'-P energy: -132.346 bonds (distance) P-C4' energy: -153.922 flat angles C4'-P-C4' energy: -131.914 flat angles P-C4'-P energy: -91.697 tors. eta vs tors. theta energy: -98.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1025.921109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.921109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.921109 (E_RNA) where: Base-Base interactions energy: -554.124 where: short stacking energy: -294.953 Base-Backbone interact. energy: 7.230 local terms energy: -479.027083 where: bonds (distance) C4'-P energy: -129.760 bonds (distance) P-C4' energy: -136.874 flat angles C4'-P-C4' energy: -131.670 flat angles P-C4'-P energy: -75.025 tors. eta vs tors. theta energy: -5.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -834.397969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.397969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.397969 (E_RNA) where: Base-Base interactions energy: -393.159 where: short stacking energy: -223.381 Base-Backbone interact. energy: -2.962 local terms energy: -438.276969 where: bonds (distance) C4'-P energy: -127.912 bonds (distance) P-C4' energy: -127.582 flat angles C4'-P-C4' energy: -116.341 flat angles P-C4'-P energy: -63.903 tors. eta vs tors. theta energy: -2.538 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: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2927.264820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.264820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.264820 (E_RNA) where: Base-Base interactions energy: -2029.952 where: short stacking energy: -864.329 Base-Backbone interact. energy: -2.296 local terms energy: -895.017077 where: bonds (distance) C4'-P energy: -155.738 bonds (distance) P-C4' energy: -175.679 flat angles C4'-P-C4' energy: -198.118 flat angles P-C4'-P energy: -115.603 tors. eta vs tors. theta energy: -249.878 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: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2810.715008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.715008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.715008 (E_RNA) where: Base-Base interactions energy: -1943.889 where: short stacking energy: -788.708 Base-Backbone interact. energy: -3.520 local terms energy: -863.305762 where: bonds (distance) C4'-P energy: -168.291 bonds (distance) P-C4' energy: -162.031 flat angles C4'-P-C4' energy: -185.335 flat angles P-C4'-P energy: -118.716 tors. eta vs tors. theta energy: -228.932 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: 390 Temperature: 1.000000 Total energy: -2638.899106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.899106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.899106 (E_RNA) where: Base-Base interactions energy: -1812.765 where: short stacking energy: -751.160 Base-Backbone interact. energy: -1.768 local terms energy: -824.365912 where: bonds (distance) C4'-P energy: -150.839 bonds (distance) P-C4' energy: -151.676 flat angles C4'-P-C4' energy: -181.381 flat angles P-C4'-P energy: -104.011 tors. eta vs tors. theta energy: -236.459 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: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2508.571800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.571800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.571800 (E_RNA) where: Base-Base interactions energy: -1699.199 where: short stacking energy: -734.288 Base-Backbone interact. energy: -1.360 local terms energy: -808.012590 where: bonds (distance) C4'-P energy: -149.788 bonds (distance) P-C4' energy: -156.077 flat angles C4'-P-C4' energy: -181.332 flat angles P-C4'-P energy: -103.140 tors. eta vs tors. theta energy: -217.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2383.596485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.596485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.596485 (E_RNA) where: Base-Base interactions energy: -1636.048 where: short stacking energy: -657.247 Base-Backbone interact. energy: -2.651 local terms energy: -744.897298 where: bonds (distance) C4'-P energy: -125.173 bonds (distance) P-C4' energy: -161.780 flat angles C4'-P-C4' energy: -170.074 flat angles P-C4'-P energy: -111.952 tors. eta vs tors. theta energy: -175.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2176.850461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.850461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.850461 (E_RNA) where: Base-Base interactions energy: -1446.390 where: short stacking energy: -639.814 Base-Backbone interact. energy: -3.362 local terms energy: -727.099139 where: bonds (distance) C4'-P energy: -139.531 bonds (distance) P-C4' energy: -147.030 flat angles C4'-P-C4' energy: -157.029 flat angles P-C4'-P energy: -99.423 tors. eta vs tors. theta energy: -184.086 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: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1728.632052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.632052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.632052 (E_RNA) where: Base-Base interactions energy: -1081.917 where: short stacking energy: -475.664 Base-Backbone interact. energy: -2.497 local terms energy: -644.218912 where: bonds (distance) C4'-P energy: -157.922 bonds (distance) P-C4' energy: -138.611 flat angles C4'-P-C4' energy: -153.638 flat angles P-C4'-P energy: -91.322 tors. eta vs tors. theta energy: -102.727 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: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1591.194673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.194673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.194673 (E_RNA) where: Base-Base interactions energy: -993.276 where: short stacking energy: -472.209 Base-Backbone interact. energy: 0.008 local terms energy: -597.926270 where: bonds (distance) C4'-P energy: -110.469 bonds (distance) P-C4' energy: -144.459 flat angles C4'-P-C4' energy: -143.806 flat angles P-C4'-P energy: -93.301 tors. eta vs tors. theta energy: -105.891 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: 390 Temperature: 1.300000 Total energy: -1015.434887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.434887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.434887 (E_RNA) where: Base-Base interactions energy: -544.001 where: short stacking energy: -295.790 Base-Backbone interact. energy: 2.966 local terms energy: -474.399462 where: bonds (distance) C4'-P energy: -116.644 bonds (distance) P-C4' energy: -144.362 flat angles C4'-P-C4' energy: -121.933 flat angles P-C4'-P energy: -83.058 tors. eta vs tors. theta energy: -8.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -840.795050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.795050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.795050 (E_RNA) where: Base-Base interactions energy: -416.629 where: short stacking energy: -206.078 Base-Backbone interact. energy: -0.260 local terms energy: -423.906504 where: bonds (distance) C4'-P energy: -116.924 bonds (distance) P-C4' energy: -155.110 flat angles C4'-P-C4' energy: -118.274 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: 17.405 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: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2890.470430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.470430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.470430 (E_RNA) where: Base-Base interactions energy: -1990.149 where: short stacking energy: -848.337 Base-Backbone interact. energy: -3.730 local terms energy: -896.591554 where: bonds (distance) C4'-P energy: -155.385 bonds (distance) P-C4' energy: -178.108 flat angles C4'-P-C4' energy: -185.543 flat angles P-C4'-P energy: -132.914 tors. eta vs tors. theta energy: -244.641 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: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2809.092793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.092793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.092793 (E_RNA) where: Base-Base interactions energy: -1949.645 where: short stacking energy: -796.057 Base-Backbone interact. energy: -4.774 local terms energy: -854.673975 where: bonds (distance) C4'-P energy: -162.716 bonds (distance) P-C4' energy: -161.026 flat angles C4'-P-C4' energy: -175.959 flat angles P-C4'-P energy: -127.453 tors. eta vs tors. theta energy: -227.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2705.793700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.793700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.793700 (E_RNA) where: Base-Base interactions energy: -1818.327 where: short stacking energy: -789.498 Base-Backbone interact. energy: -2.863 local terms energy: -884.604380 where: bonds (distance) C4'-P energy: -157.355 bonds (distance) P-C4' energy: -174.441 flat angles C4'-P-C4' energy: -191.441 flat angles P-C4'-P energy: -116.765 tors. eta vs tors. theta energy: -244.603 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: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2484.120018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.120018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.120018 (E_RNA) where: Base-Base interactions energy: -1707.485 where: short stacking energy: -725.010 Base-Backbone interact. energy: -3.113 local terms energy: -773.522046 where: bonds (distance) C4'-P energy: -122.359 bonds (distance) P-C4' energy: -159.267 flat angles C4'-P-C4' energy: -181.219 flat angles P-C4'-P energy: -101.207 tors. eta vs tors. theta energy: -209.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2440.134373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.134373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.134373 (E_RNA) where: Base-Base interactions energy: -1660.223 where: short stacking energy: -693.806 Base-Backbone interact. energy: -2.230 local terms energy: -777.681366 where: bonds (distance) C4'-P energy: -134.768 bonds (distance) P-C4' energy: -142.991 flat angles C4'-P-C4' energy: -186.541 flat angles P-C4'-P energy: -100.418 tors. eta vs tors. theta energy: -212.963 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: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2164.538961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.538961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.538961 (E_RNA) where: Base-Base interactions energy: -1468.864 where: short stacking energy: -623.965 Base-Backbone interact. energy: -0.367 local terms energy: -695.307647 where: bonds (distance) C4'-P energy: -149.813 bonds (distance) P-C4' energy: -129.743 flat angles C4'-P-C4' energy: -147.575 flat angles P-C4'-P energy: -103.170 tors. eta vs tors. theta energy: -165.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1723.165109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.165109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.165109 (E_RNA) where: Base-Base interactions energy: -1072.273 where: short stacking energy: -489.427 Base-Backbone interact. energy: 2.534 local terms energy: -653.426059 where: bonds (distance) C4'-P energy: -156.036 bonds (distance) P-C4' energy: -145.482 flat angles C4'-P-C4' energy: -144.390 flat angles P-C4'-P energy: -81.066 tors. eta vs tors. theta energy: -126.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1538.673713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.673713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.673713 (E_RNA) where: Base-Base interactions energy: -931.980 where: short stacking energy: -427.730 Base-Backbone interact. energy: 5.472 local terms energy: -612.165167 where: bonds (distance) C4'-P energy: -124.065 bonds (distance) P-C4' energy: -156.764 flat angles C4'-P-C4' energy: -154.176 flat angles P-C4'-P energy: -99.885 tors. eta vs tors. theta energy: -77.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1016.327426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.327426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.327426 (E_RNA) where: Base-Base interactions energy: -548.019 where: short stacking energy: -285.102 Base-Backbone interact. energy: 2.081 local terms energy: -470.388945 where: bonds (distance) C4'-P energy: -131.501 bonds (distance) P-C4' energy: -123.239 flat angles C4'-P-C4' energy: -135.565 flat angles P-C4'-P energy: -69.443 tors. eta vs tors. theta energy: -10.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -918.183549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.183549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.183549 (E_RNA) where: Base-Base interactions energy: -486.142 where: short stacking energy: -254.331 Base-Backbone interact. energy: -2.872 local terms energy: -429.169735 where: bonds (distance) C4'-P energy: -122.259 bonds (distance) P-C4' energy: -140.504 flat angles C4'-P-C4' energy: -98.725 flat angles P-C4'-P energy: -63.011 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2931.729923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.729923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.729923 (E_RNA) where: Base-Base interactions energy: -2021.531 where: short stacking energy: -855.693 Base-Backbone interact. energy: -3.139 local terms energy: -907.059698 where: bonds (distance) C4'-P energy: -157.629 bonds (distance) P-C4' energy: -167.712 flat angles C4'-P-C4' energy: -187.440 flat angles P-C4'-P energy: -141.694 tors. eta vs tors. theta energy: -252.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2823.828238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.828238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.828238 (E_RNA) where: Base-Base interactions energy: -1944.557 where: short stacking energy: -778.650 Base-Backbone interact. energy: -6.038 local terms energy: -873.232756 where: bonds (distance) C4'-P energy: -174.549 bonds (distance) P-C4' energy: -173.408 flat angles C4'-P-C4' energy: -173.512 flat angles P-C4'-P energy: -125.030 tors. eta vs tors. theta energy: -226.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2687.688669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.688669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.688669 (E_RNA) where: Base-Base interactions energy: -1833.686 where: short stacking energy: -796.939 Base-Backbone interact. energy: -1.872 local terms energy: -852.130859 where: bonds (distance) C4'-P energy: -154.125 bonds (distance) P-C4' energy: -163.842 flat angles C4'-P-C4' energy: -187.448 flat angles P-C4'-P energy: -112.227 tors. eta vs tors. theta energy: -234.488 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: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2506.444282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.444282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.444282 (E_RNA) where: Base-Base interactions energy: -1698.320 where: short stacking energy: -735.685 Base-Backbone interact. energy: -3.855 local terms energy: -804.269182 where: bonds (distance) C4'-P energy: -156.198 bonds (distance) P-C4' energy: -153.967 flat angles C4'-P-C4' energy: -180.307 flat angles P-C4'-P energy: -110.299 tors. eta vs tors. theta energy: -203.499 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: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2423.874232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.874232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.874232 (E_RNA) where: Base-Base interactions energy: -1595.249 where: short stacking energy: -700.879 Base-Backbone interact. energy: -3.792 local terms energy: -824.833330 where: bonds (distance) C4'-P energy: -159.019 bonds (distance) P-C4' energy: -151.991 flat angles C4'-P-C4' energy: -184.834 flat angles P-C4'-P energy: -122.064 tors. eta vs tors. theta energy: -206.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2111.993724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.993724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.993724 (E_RNA) where: Base-Base interactions energy: -1391.374 where: short stacking energy: -611.446 Base-Backbone interact. energy: 2.714 local terms energy: -723.333901 where: bonds (distance) C4'-P energy: -134.659 bonds (distance) P-C4' energy: -156.766 flat angles C4'-P-C4' energy: -159.172 flat angles P-C4'-P energy: -102.494 tors. eta vs tors. theta energy: -170.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1716.445282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.445282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.445282 (E_RNA) where: Base-Base interactions energy: -1095.920 where: short stacking energy: -500.454 Base-Backbone interact. energy: -1.379 local terms energy: -619.146158 where: bonds (distance) C4'-P energy: -135.319 bonds (distance) P-C4' energy: -134.862 flat angles C4'-P-C4' energy: -153.664 flat angles P-C4'-P energy: -78.727 tors. eta vs tors. theta energy: -116.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1527.263190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.263190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.263190 (E_RNA) where: Base-Base interactions energy: -930.201 where: short stacking energy: -458.525 Base-Backbone interact. energy: -2.555 local terms energy: -594.507129 where: bonds (distance) C4'-P energy: -130.950 bonds (distance) P-C4' energy: -146.577 flat angles C4'-P-C4' energy: -140.318 flat angles P-C4'-P energy: -89.627 tors. eta vs tors. theta energy: -87.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1068.728461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.728461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.728461 (E_RNA) where: Base-Base interactions energy: -572.274 where: short stacking energy: -300.926 Base-Backbone interact. energy: -0.401 local terms energy: -496.053141 where: bonds (distance) C4'-P energy: -133.928 bonds (distance) P-C4' energy: -153.006 flat angles C4'-P-C4' energy: -113.499 flat angles P-C4'-P energy: -71.317 tors. eta vs tors. theta energy: -24.303 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: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -893.155839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.155839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.155839 (E_RNA) where: Base-Base interactions energy: -451.751 where: short stacking energy: -246.631 Base-Backbone interact. energy: 3.252 local terms energy: -444.656436 where: bonds (distance) C4'-P energy: -123.969 bonds (distance) P-C4' energy: -143.290 flat angles C4'-P-C4' energy: -120.300 flat angles P-C4'-P energy: -59.270 tors. eta vs tors. theta energy: 2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2941.153805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.153805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.153805 (E_RNA) where: Base-Base interactions energy: -2012.899 where: short stacking energy: -858.955 Base-Backbone interact. energy: -2.215 local terms energy: -926.039368 where: bonds (distance) C4'-P energy: -168.720 bonds (distance) P-C4' energy: -159.390 flat angles C4'-P-C4' energy: -189.720 flat angles P-C4'-P energy: -135.514 tors. eta vs tors. theta energy: -272.695 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: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2823.226035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.226035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.226035 (E_RNA) where: Base-Base interactions energy: -1958.096 where: short stacking energy: -771.429 Base-Backbone interact. energy: -4.561 local terms energy: -860.569037 where: bonds (distance) C4'-P energy: -155.431 bonds (distance) P-C4' energy: -181.124 flat angles C4'-P-C4' energy: -181.191 flat angles P-C4'-P energy: -110.518 tors. eta vs tors. theta energy: -232.305 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: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2697.052708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.052708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.052708 (E_RNA) where: Base-Base interactions energy: -1861.084 where: short stacking energy: -781.860 Base-Backbone interact. energy: -4.519 local terms energy: -831.450375 where: bonds (distance) C4'-P energy: -148.525 bonds (distance) P-C4' energy: -146.193 flat angles C4'-P-C4' energy: -179.512 flat angles P-C4'-P energy: -118.360 tors. eta vs tors. theta energy: -238.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2534.342227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.342227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.342227 (E_RNA) where: Base-Base interactions energy: -1722.448 where: short stacking energy: -751.092 Base-Backbone interact. energy: -2.388 local terms energy: -809.506118 where: bonds (distance) C4'-P energy: -154.529 bonds (distance) P-C4' energy: -154.782 flat angles C4'-P-C4' energy: -183.683 flat angles P-C4'-P energy: -94.197 tors. eta vs tors. theta energy: -222.314 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: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2390.258401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.258401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.258401 (E_RNA) where: Base-Base interactions energy: -1588.945 where: short stacking energy: -685.829 Base-Backbone interact. energy: -0.487 local terms energy: -800.826132 where: bonds (distance) C4'-P energy: -158.105 bonds (distance) P-C4' energy: -144.827 flat angles C4'-P-C4' energy: -185.075 flat angles P-C4'-P energy: -108.270 tors. eta vs tors. theta energy: -204.548 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: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2072.874006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.874006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.874006 (E_RNA) where: Base-Base interactions energy: -1364.015 where: short stacking energy: -601.561 Base-Backbone interact. energy: 1.296 local terms energy: -710.154990 where: bonds (distance) C4'-P energy: -147.419 bonds (distance) P-C4' energy: -150.530 flat angles C4'-P-C4' energy: -143.257 flat angles P-C4'-P energy: -106.606 tors. eta vs tors. theta energy: -162.344 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: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1710.312694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.312694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.312694 (E_RNA) where: Base-Base interactions energy: -1057.681 where: short stacking energy: -498.038 Base-Backbone interact. energy: -2.885 local terms energy: -649.747184 where: bonds (distance) C4'-P energy: -139.688 bonds (distance) P-C4' energy: -160.479 flat angles C4'-P-C4' energy: -160.534 flat angles P-C4'-P energy: -79.530 tors. eta vs tors. theta energy: -109.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1599.757525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.757525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.757525 (E_RNA) where: Base-Base interactions energy: -1030.435 where: short stacking energy: -458.703 Base-Backbone interact. energy: -1.598 local terms energy: -567.723807 where: bonds (distance) C4'-P energy: -124.657 bonds (distance) P-C4' energy: -134.994 flat angles C4'-P-C4' energy: -128.399 flat angles P-C4'-P energy: -88.896 tors. eta vs tors. theta energy: -90.777 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: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1034.266445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.266445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.266445 (E_RNA) where: Base-Base interactions energy: -547.498 where: short stacking energy: -307.314 Base-Backbone interact. energy: 10.206 local terms energy: -496.974340 where: bonds (distance) C4'-P energy: -141.108 bonds (distance) P-C4' energy: -130.031 flat angles C4'-P-C4' energy: -114.711 flat angles P-C4'-P energy: -91.268 tors. eta vs tors. theta energy: -19.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -879.305523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.305523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.305523 (E_RNA) where: Base-Base interactions energy: -428.921 where: short stacking energy: -216.762 Base-Backbone interact. energy: 0.637 local terms energy: -451.021013 where: bonds (distance) C4'-P energy: -136.546 bonds (distance) P-C4' energy: -129.677 flat angles C4'-P-C4' energy: -116.231 flat angles P-C4'-P energy: -74.916 tors. eta vs tors. theta energy: 6.350 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: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2914.601226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.601226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.601226 (E_RNA) where: Base-Base interactions energy: -1986.418 where: short stacking energy: -839.209 Base-Backbone interact. energy: -0.872 local terms energy: -927.311650 where: bonds (distance) C4'-P energy: -166.805 bonds (distance) P-C4' energy: -172.462 flat angles C4'-P-C4' energy: -195.596 flat angles P-C4'-P energy: -127.966 tors. eta vs tors. theta energy: -264.483 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: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2837.880745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.880745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.880745 (E_RNA) where: Base-Base interactions energy: -1968.376 where: short stacking energy: -799.539 Base-Backbone interact. energy: -3.063 local terms energy: -866.440966 where: bonds (distance) C4'-P energy: -165.545 bonds (distance) P-C4' energy: -167.001 flat angles C4'-P-C4' energy: -193.557 flat angles P-C4'-P energy: -112.925 tors. eta vs tors. theta energy: -227.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2710.210839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.210839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.210839 (E_RNA) where: Base-Base interactions energy: -1836.354 where: short stacking energy: -809.254 Base-Backbone interact. energy: -2.415 local terms energy: -871.441967 where: bonds (distance) C4'-P energy: -157.102 bonds (distance) P-C4' energy: -159.195 flat angles C4'-P-C4' energy: -185.097 flat angles P-C4'-P energy: -124.343 tors. eta vs tors. theta energy: -245.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2501.605722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.605722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.605722 (E_RNA) where: Base-Base interactions energy: -1721.366 where: short stacking energy: -692.392 Base-Backbone interact. energy: -2.607 local terms energy: -777.633240 where: bonds (distance) C4'-P energy: -148.167 bonds (distance) P-C4' energy: -162.618 flat angles C4'-P-C4' energy: -174.444 flat angles P-C4'-P energy: -95.263 tors. eta vs tors. theta energy: -197.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2448.815286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.815286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.815286 (E_RNA) where: Base-Base interactions energy: -1628.705 where: short stacking energy: -694.211 Base-Backbone interact. energy: 0.265 local terms energy: -820.374933 where: bonds (distance) C4'-P energy: -159.307 bonds (distance) P-C4' energy: -158.843 flat angles C4'-P-C4' energy: -180.525 flat angles P-C4'-P energy: -119.886 tors. eta vs tors. theta energy: -201.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2166.586904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.586904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.586904 (E_RNA) where: Base-Base interactions energy: -1424.413 where: short stacking energy: -623.984 Base-Backbone interact. energy: -4.171 local terms energy: -738.002261 where: bonds (distance) C4'-P energy: -135.642 bonds (distance) P-C4' energy: -140.053 flat angles C4'-P-C4' energy: -172.731 flat angles P-C4'-P energy: -109.503 tors. eta vs tors. theta energy: -180.073 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: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1744.616011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.616011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.616011 (E_RNA) where: Base-Base interactions energy: -1103.215 where: short stacking energy: -516.015 Base-Backbone interact. energy: -4.181 local terms energy: -637.220678 where: bonds (distance) C4'-P energy: -131.636 bonds (distance) P-C4' energy: -139.278 flat angles C4'-P-C4' energy: -160.196 flat angles P-C4'-P energy: -88.961 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: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1562.519718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.519718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.519718 (E_RNA) where: Base-Base interactions energy: -999.607 where: short stacking energy: -441.892 Base-Backbone interact. energy: -2.274 local terms energy: -560.638433 where: bonds (distance) C4'-P energy: -134.003 bonds (distance) P-C4' energy: -125.827 flat angles C4'-P-C4' energy: -130.437 flat angles P-C4'-P energy: -67.573 tors. eta vs tors. theta energy: -102.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1025.529692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.529692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.529692 (E_RNA) where: Base-Base interactions energy: -544.660 where: short stacking energy: -285.977 Base-Backbone interact. energy: 1.587 local terms energy: -482.456974 where: bonds (distance) C4'-P energy: -141.272 bonds (distance) P-C4' energy: -154.962 flat angles C4'-P-C4' energy: -108.140 flat angles P-C4'-P energy: -66.270 tors. eta vs tors. theta energy: -11.814 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: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -871.946052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.946052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.946052 (E_RNA) where: Base-Base interactions energy: -444.786 where: short stacking energy: -275.808 Base-Backbone interact. energy: 2.183 local terms energy: -429.343092 where: bonds (distance) C4'-P energy: -121.768 bonds (distance) P-C4' energy: -126.150 flat angles C4'-P-C4' energy: -115.776 flat angles P-C4'-P energy: -58.058 tors. eta vs tors. theta energy: -7.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2955.120100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.120100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.120100 (E_RNA) where: Base-Base interactions energy: -2042.170 where: short stacking energy: -862.729 Base-Backbone interact. energy: -1.898 local terms energy: -911.052729 where: bonds (distance) C4'-P energy: -151.541 bonds (distance) P-C4' energy: -167.497 flat angles C4'-P-C4' energy: -188.231 flat angles P-C4'-P energy: -132.609 tors. eta vs tors. theta energy: -271.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2865.927254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.927254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.927254 (E_RNA) where: Base-Base interactions energy: -1997.868 where: short stacking energy: -807.983 Base-Backbone interact. energy: -4.780 local terms energy: -863.279643 where: bonds (distance) C4'-P energy: -159.154 bonds (distance) P-C4' energy: -163.351 flat angles C4'-P-C4' energy: -185.631 flat angles P-C4'-P energy: -121.994 tors. eta vs tors. theta energy: -233.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2735.863908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.863908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.863908 (E_RNA) where: Base-Base interactions energy: -1873.053 where: short stacking energy: -814.488 Base-Backbone interact. energy: -1.318 local terms energy: -861.493122 where: bonds (distance) C4'-P energy: -160.210 bonds (distance) P-C4' energy: -155.519 flat angles C4'-P-C4' energy: -183.200 flat angles P-C4'-P energy: -117.593 tors. eta vs tors. theta energy: -244.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2503.434017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.434017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.434017 (E_RNA) where: Base-Base interactions energy: -1714.634 where: short stacking energy: -722.228 Base-Backbone interact. energy: -5.193 local terms energy: -783.607354 where: bonds (distance) C4'-P energy: -145.686 bonds (distance) P-C4' energy: -169.952 flat angles C4'-P-C4' energy: -170.236 flat angles P-C4'-P energy: -102.778 tors. eta vs tors. theta energy: -194.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2481.043818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.043818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.043818 (E_RNA) where: Base-Base interactions energy: -1675.163 where: short stacking energy: -717.242 Base-Backbone interact. energy: -2.037 local terms energy: -803.843949 where: bonds (distance) C4'-P energy: -146.876 bonds (distance) P-C4' energy: -146.401 flat angles C4'-P-C4' energy: -179.803 flat angles P-C4'-P energy: -114.571 tors. eta vs tors. theta energy: -216.193 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: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2135.279746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.279746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.279746 (E_RNA) where: Base-Base interactions energy: -1400.352 where: short stacking energy: -622.642 Base-Backbone interact. energy: -3.136 local terms energy: -731.791520 where: bonds (distance) C4'-P energy: -144.317 bonds (distance) P-C4' energy: -144.641 flat angles C4'-P-C4' energy: -160.982 flat angles P-C4'-P energy: -109.043 tors. eta vs tors. theta energy: -172.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1688.435770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.435770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.435770 (E_RNA) where: Base-Base interactions energy: -1081.251 where: short stacking energy: -512.607 Base-Backbone interact. energy: -3.662 local terms energy: -603.523158 where: bonds (distance) C4'-P energy: -135.864 bonds (distance) P-C4' energy: -133.559 flat angles C4'-P-C4' energy: -143.314 flat angles P-C4'-P energy: -79.096 tors. eta vs tors. theta energy: -111.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1495.638045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.638045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.638045 (E_RNA) where: Base-Base interactions energy: -890.907 where: short stacking energy: -422.579 Base-Backbone interact. energy: 2.612 local terms energy: -607.342247 where: bonds (distance) C4'-P energy: -149.385 bonds (distance) P-C4' energy: -147.320 flat angles C4'-P-C4' energy: -143.302 flat angles P-C4'-P energy: -80.996 tors. eta vs tors. theta energy: -86.339 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: 395 Temperature: 1.300000 Total energy: -977.186762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.186762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.186762 (E_RNA) where: Base-Base interactions energy: -501.669 where: short stacking energy: -260.834 Base-Backbone interact. energy: 0.435 local terms energy: -475.952707 where: bonds (distance) C4'-P energy: -123.435 bonds (distance) P-C4' energy: -127.709 flat angles C4'-P-C4' energy: -115.895 flat angles P-C4'-P energy: -89.455 tors. eta vs tors. theta energy: -19.458 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: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -855.212343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.212343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.212343 (E_RNA) where: Base-Base interactions energy: -405.486 where: short stacking energy: -243.268 Base-Backbone interact. energy: 7.192 local terms energy: -456.918053 where: bonds (distance) C4'-P energy: -139.417 bonds (distance) P-C4' energy: -140.548 flat angles C4'-P-C4' energy: -102.401 flat angles P-C4'-P energy: -80.190 tors. eta vs tors. theta energy: 5.639 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: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2899.539619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.539619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.539619 (E_RNA) where: Base-Base interactions energy: -2031.090 where: short stacking energy: -814.423 Base-Backbone interact. energy: 1.470 local terms energy: -869.919777 where: bonds (distance) C4'-P energy: -163.816 bonds (distance) P-C4' energy: -173.017 flat angles C4'-P-C4' energy: -190.002 flat angles P-C4'-P energy: -118.592 tors. eta vs tors. theta energy: -224.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2884.959028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.959028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.959028 (E_RNA) where: Base-Base interactions energy: -1988.282 where: short stacking energy: -859.844 Base-Backbone interact. energy: 0.755 local terms energy: -897.432461 where: bonds (distance) C4'-P energy: -157.427 bonds (distance) P-C4' energy: -154.689 flat angles C4'-P-C4' energy: -193.092 flat angles P-C4'-P energy: -121.949 tors. eta vs tors. theta energy: -270.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2714.830378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.830378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.830378 (E_RNA) where: Base-Base interactions energy: -1843.649 where: short stacking energy: -819.898 Base-Backbone interact. energy: 0.510 local terms energy: -871.691124 where: bonds (distance) C4'-P energy: -146.330 bonds (distance) P-C4' energy: -173.341 flat angles C4'-P-C4' energy: -179.342 flat angles P-C4'-P energy: -121.540 tors. eta vs tors. theta energy: -251.138 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: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2552.288383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.288383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.288383 (E_RNA) where: Base-Base interactions energy: -1754.207 where: short stacking energy: -734.352 Base-Backbone interact. energy: -2.420 local terms energy: -795.661241 where: bonds (distance) C4'-P energy: -160.135 bonds (distance) P-C4' energy: -154.482 flat angles C4'-P-C4' energy: -176.587 flat angles P-C4'-P energy: -93.883 tors. eta vs tors. theta energy: -210.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2447.801978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.801978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.801978 (E_RNA) where: Base-Base interactions energy: -1644.797 where: short stacking energy: -706.690 Base-Backbone interact. energy: -1.253 local terms energy: -801.752053 where: bonds (distance) C4'-P energy: -143.897 bonds (distance) P-C4' energy: -152.355 flat angles C4'-P-C4' energy: -176.427 flat angles P-C4'-P energy: -127.989 tors. eta vs tors. theta energy: -201.084 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: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2183.503556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.503556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.503556 (E_RNA) where: Base-Base interactions energy: -1454.556 where: short stacking energy: -636.380 Base-Backbone interact. energy: -0.673 local terms energy: -728.274699 where: bonds (distance) C4'-P energy: -139.960 bonds (distance) P-C4' energy: -139.911 flat angles C4'-P-C4' energy: -177.797 flat angles P-C4'-P energy: -103.827 tors. eta vs tors. theta energy: -166.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1612.104617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.104617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.104617 (E_RNA) where: Base-Base interactions energy: -1028.975 where: short stacking energy: -446.717 Base-Backbone interact. energy: 3.330 local terms energy: -586.459139 where: bonds (distance) C4'-P energy: -115.119 bonds (distance) P-C4' energy: -155.434 flat angles C4'-P-C4' energy: -134.981 flat angles P-C4'-P energy: -89.318 tors. eta vs tors. theta energy: -91.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1507.123549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.123549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.123549 (E_RNA) where: Base-Base interactions energy: -906.870 where: short stacking energy: -432.405 Base-Backbone interact. energy: 1.642 local terms energy: -601.896051 where: bonds (distance) C4'-P energy: -123.901 bonds (distance) P-C4' energy: -149.186 flat angles C4'-P-C4' energy: -141.648 flat angles P-C4'-P energy: -90.053 tors. eta vs tors. theta energy: -97.108 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: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1021.249135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.249135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.249135 (E_RNA) where: Base-Base interactions energy: -566.411 where: short stacking energy: -316.990 Base-Backbone interact. energy: -2.626 local terms energy: -452.212324 where: bonds (distance) C4'-P energy: -122.641 bonds (distance) P-C4' energy: -129.036 flat angles C4'-P-C4' energy: -116.765 flat angles P-C4'-P energy: -61.581 tors. eta vs tors. theta energy: -22.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -802.435016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.435016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.435016 (E_RNA) where: Base-Base interactions energy: -353.339 where: short stacking energy: -220.203 Base-Backbone interact. energy: -0.327 local terms energy: -448.769219 where: bonds (distance) C4'-P energy: -123.028 bonds (distance) P-C4' energy: -150.559 flat angles C4'-P-C4' energy: -125.135 flat angles P-C4'-P energy: -67.047 tors. eta vs tors. theta energy: 17.001 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: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2902.802372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.802372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.802372 (E_RNA) where: Base-Base interactions energy: -2017.939 where: short stacking energy: -830.916 Base-Backbone interact. energy: -4.788 local terms energy: -880.076094 where: bonds (distance) C4'-P energy: -165.048 bonds (distance) P-C4' energy: -161.636 flat angles C4'-P-C4' energy: -200.424 flat angles P-C4'-P energy: -114.634 tors. eta vs tors. theta energy: -238.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2866.908823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.908823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.908823 (E_RNA) where: Base-Base interactions energy: -1959.172 where: short stacking energy: -818.056 Base-Backbone interact. energy: -2.713 local terms energy: -905.023995 where: bonds (distance) C4'-P energy: -175.031 bonds (distance) P-C4' energy: -162.082 flat angles C4'-P-C4' energy: -187.952 flat angles P-C4'-P energy: -125.096 tors. eta vs tors. theta energy: -254.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2675.454540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.454540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.454540 (E_RNA) where: Base-Base interactions energy: -1814.536 where: short stacking energy: -790.374 Base-Backbone interact. energy: 1.877 local terms energy: -862.796380 where: bonds (distance) C4'-P energy: -148.730 bonds (distance) P-C4' energy: -168.409 flat angles C4'-P-C4' energy: -185.340 flat angles P-C4'-P energy: -124.855 tors. eta vs tors. theta energy: -235.462 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: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2521.919820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.919820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.919820 (E_RNA) where: Base-Base interactions energy: -1726.860 where: short stacking energy: -727.116 Base-Backbone interact. energy: 1.469 local terms energy: -796.529356 where: bonds (distance) C4'-P energy: -141.342 bonds (distance) P-C4' energy: -158.984 flat angles C4'-P-C4' energy: -166.628 flat angles P-C4'-P energy: -101.829 tors. eta vs tors. theta energy: -227.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2407.228115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.228115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.228115 (E_RNA) where: Base-Base interactions energy: -1631.149 where: short stacking energy: -703.451 Base-Backbone interact. energy: 1.631 local terms energy: -777.709303 where: bonds (distance) C4'-P energy: -134.293 bonds (distance) P-C4' energy: -156.273 flat angles C4'-P-C4' energy: -169.776 flat angles P-C4'-P energy: -123.843 tors. eta vs tors. theta energy: -193.524 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: 6, replica: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2182.795310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.795310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.795310 (E_RNA) where: Base-Base interactions energy: -1479.416 where: short stacking energy: -645.463 Base-Backbone interact. energy: -0.656 local terms energy: -702.723877 where: bonds (distance) C4'-P energy: -142.594 bonds (distance) P-C4' energy: -137.342 flat angles C4'-P-C4' energy: -144.314 flat angles P-C4'-P energy: -93.214 tors. eta vs tors. theta energy: -185.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1635.613807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.613807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.613807 (E_RNA) where: Base-Base interactions energy: -1053.656 where: short stacking energy: -481.678 Base-Backbone interact. energy: 1.622 local terms energy: -583.579319 where: bonds (distance) C4'-P energy: -144.495 bonds (distance) P-C4' energy: -132.484 flat angles C4'-P-C4' energy: -146.549 flat angles P-C4'-P energy: -71.404 tors. eta vs tors. theta energy: -88.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1426.721954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.721954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.721954 (E_RNA) where: Base-Base interactions energy: -879.609 where: short stacking energy: -397.262 Base-Backbone interact. energy: 7.157 local terms energy: -554.269536 where: bonds (distance) C4'-P energy: -118.145 bonds (distance) P-C4' energy: -139.892 flat angles C4'-P-C4' energy: -138.787 flat angles P-C4'-P energy: -77.692 tors. eta vs tors. theta energy: -79.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1020.277251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.277251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.277251 (E_RNA) where: Base-Base interactions energy: -551.443 where: short stacking energy: -293.298 Base-Backbone interact. energy: -1.866 local terms energy: -466.969073 where: bonds (distance) C4'-P energy: -132.701 bonds (distance) P-C4' energy: -138.867 flat angles C4'-P-C4' energy: -112.285 flat angles P-C4'-P energy: -63.866 tors. eta vs tors. theta energy: -19.250 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: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -812.480224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.480224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.480224 (E_RNA) where: Base-Base interactions energy: -368.941 where: short stacking energy: -224.943 Base-Backbone interact. energy: -0.035 local terms energy: -443.504691 where: bonds (distance) C4'-P energy: -121.500 bonds (distance) P-C4' energy: -146.010 flat angles C4'-P-C4' energy: -105.517 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2920.586813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.586813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.586813 (E_RNA) where: Base-Base interactions energy: -2050.111 where: short stacking energy: -838.523 Base-Backbone interact. energy: -6.288 local terms energy: -864.188287 where: bonds (distance) C4'-P energy: -150.181 bonds (distance) P-C4' energy: -162.292 flat angles C4'-P-C4' energy: -182.920 flat angles P-C4'-P energy: -114.276 tors. eta vs tors. theta energy: -254.520 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: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2850.580653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.580653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.580653 (E_RNA) where: Base-Base interactions energy: -1939.629 where: short stacking energy: -826.607 Base-Backbone interact. energy: -4.127 local terms energy: -906.824945 where: bonds (distance) C4'-P energy: -155.203 bonds (distance) P-C4' energy: -181.166 flat angles C4'-P-C4' energy: -197.408 flat angles P-C4'-P energy: -123.076 tors. eta vs tors. theta energy: -249.971 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: 398 Temperature: 1.000000 Total energy: -2691.702461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.702461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.702461 (E_RNA) where: Base-Base interactions energy: -1820.359 where: short stacking energy: -768.274 Base-Backbone interact. energy: -0.451 local terms energy: -870.892597 where: bonds (distance) C4'-P energy: -167.257 bonds (distance) P-C4' energy: -164.439 flat angles C4'-P-C4' energy: -186.531 flat angles P-C4'-P energy: -118.307 tors. eta vs tors. theta energy: -234.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2531.167317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.167317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.167317 (E_RNA) where: Base-Base interactions energy: -1715.928 where: short stacking energy: -759.594 Base-Backbone interact. energy: -0.790 local terms energy: -814.449036 where: bonds (distance) C4'-P energy: -144.279 bonds (distance) P-C4' energy: -143.773 flat angles C4'-P-C4' energy: -177.679 flat angles P-C4'-P energy: -117.737 tors. eta vs tors. theta energy: -230.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2423.604779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.604779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.604779 (E_RNA) where: Base-Base interactions energy: -1629.139 where: short stacking energy: -689.046 Base-Backbone interact. energy: -3.554 local terms energy: -790.911328 where: bonds (distance) C4'-P energy: -141.087 bonds (distance) P-C4' energy: -160.900 flat angles C4'-P-C4' energy: -173.618 flat angles P-C4'-P energy: -114.125 tors. eta vs tors. theta energy: -201.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2280.634892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.634892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.634892 (E_RNA) where: Base-Base interactions energy: -1519.804 where: short stacking energy: -662.922 Base-Backbone interact. energy: -0.115 local terms energy: -760.715506 where: bonds (distance) C4'-P energy: -158.794 bonds (distance) P-C4' energy: -143.814 flat angles C4'-P-C4' energy: -168.293 flat angles P-C4'-P energy: -104.681 tors. eta vs tors. theta energy: -185.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1642.877415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.877415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.877415 (E_RNA) where: Base-Base interactions energy: -1018.027 where: short stacking energy: -466.509 Base-Backbone interact. energy: -0.042 local terms energy: -624.808541 where: bonds (distance) C4'-P energy: -150.065 bonds (distance) P-C4' energy: -143.586 flat angles C4'-P-C4' energy: -156.597 flat angles P-C4'-P energy: -75.377 tors. eta vs tors. theta energy: -99.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1474.690586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.690586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.690586 (E_RNA) where: Base-Base interactions energy: -903.409 where: short stacking energy: -409.493 Base-Backbone interact. energy: 0.684 local terms energy: -571.965434 where: bonds (distance) C4'-P energy: -137.739 bonds (distance) P-C4' energy: -141.909 flat angles C4'-P-C4' energy: -135.534 flat angles P-C4'-P energy: -89.312 tors. eta vs tors. theta energy: -67.472 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: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -952.729091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.729091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.729091 (E_RNA) where: Base-Base interactions energy: -493.661 where: short stacking energy: -281.024 Base-Backbone interact. energy: -0.811 local terms energy: -458.256969 where: bonds (distance) C4'-P energy: -144.366 bonds (distance) P-C4' energy: -131.000 flat angles C4'-P-C4' energy: -108.875 flat angles P-C4'-P energy: -60.079 tors. eta vs tors. theta energy: -13.938 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: 398 Temperature: 1.350000 Total energy: -952.796110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.796110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.796110 (E_RNA) where: Base-Base interactions energy: -489.335 where: short stacking energy: -257.656 Base-Backbone interact. energy: -2.408 local terms energy: -461.053394 where: bonds (distance) C4'-P energy: -137.811 bonds (distance) P-C4' energy: -137.040 flat angles C4'-P-C4' energy: -106.027 flat angles P-C4'-P energy: -73.182 tors. eta vs tors. theta energy: -6.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2902.875312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.875312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.875312 (E_RNA) where: Base-Base interactions energy: -1996.707 where: short stacking energy: -808.878 Base-Backbone interact. energy: -4.844 local terms energy: -901.324159 where: bonds (distance) C4'-P energy: -168.533 bonds (distance) P-C4' energy: -171.534 flat angles C4'-P-C4' energy: -187.411 flat angles P-C4'-P energy: -123.264 tors. eta vs tors. theta energy: -250.582 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: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2862.688249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.688249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.688249 (E_RNA) where: Base-Base interactions energy: -1947.944 where: short stacking energy: -819.029 Base-Backbone interact. energy: -2.158 local terms energy: -912.585817 where: bonds (distance) C4'-P energy: -153.967 bonds (distance) P-C4' energy: -168.967 flat angles C4'-P-C4' energy: -188.437 flat angles P-C4'-P energy: -131.559 tors. eta vs tors. theta energy: -269.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2678.610032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.610032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.610032 (E_RNA) where: Base-Base interactions energy: -1810.893 where: short stacking energy: -787.782 Base-Backbone interact. energy: -5.797 local terms energy: -861.919689 where: bonds (distance) C4'-P energy: -142.457 bonds (distance) P-C4' energy: -156.560 flat angles C4'-P-C4' energy: -187.982 flat angles P-C4'-P energy: -123.837 tors. eta vs tors. theta energy: -251.084 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: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2506.572531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.572531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.572531 (E_RNA) where: Base-Base interactions energy: -1669.294 where: short stacking energy: -742.642 Base-Backbone interact. energy: 1.137 local terms energy: -838.416182 where: bonds (distance) C4'-P energy: -156.780 bonds (distance) P-C4' energy: -161.136 flat angles C4'-P-C4' energy: -172.076 flat angles P-C4'-P energy: -116.334 tors. eta vs tors. theta energy: -232.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2410.854413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.854413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.854413 (E_RNA) where: Base-Base interactions energy: -1669.887 where: short stacking energy: -707.722 Base-Backbone interact. energy: -1.274 local terms energy: -739.693422 where: bonds (distance) C4'-P energy: -140.677 bonds (distance) P-C4' energy: -144.577 flat angles C4'-P-C4' energy: -176.896 flat angles P-C4'-P energy: -96.466 tors. eta vs tors. theta energy: -181.077 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: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2240.469494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.469494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.469494 (E_RNA) where: Base-Base interactions energy: -1485.401 where: short stacking energy: -647.054 Base-Backbone interact. energy: -1.451 local terms energy: -753.617349 where: bonds (distance) C4'-P energy: -149.279 bonds (distance) P-C4' energy: -144.429 flat angles C4'-P-C4' energy: -170.876 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -183.774 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: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1747.019367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.019367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.019367 (E_RNA) where: Base-Base interactions energy: -1098.253 where: short stacking energy: -506.474 Base-Backbone interact. energy: 3.326 local terms energy: -652.092539 where: bonds (distance) C4'-P energy: -148.627 bonds (distance) P-C4' energy: -146.544 flat angles C4'-P-C4' energy: -157.476 flat angles P-C4'-P energy: -96.588 tors. eta vs tors. theta energy: -102.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1450.404830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.404830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.404830 (E_RNA) where: Base-Base interactions energy: -885.812 where: short stacking energy: -392.719 Base-Backbone interact. energy: 4.940 local terms energy: -569.532203 where: bonds (distance) C4'-P energy: -154.186 bonds (distance) P-C4' energy: -134.023 flat angles C4'-P-C4' energy: -113.639 flat angles P-C4'-P energy: -87.272 tors. eta vs tors. theta energy: -80.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -944.399968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.399968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.399968 (E_RNA) where: Base-Base interactions energy: -461.896 where: short stacking energy: -254.659 Base-Backbone interact. energy: -2.318 local terms energy: -480.185878 where: bonds (distance) C4'-P energy: -140.622 bonds (distance) P-C4' energy: -135.391 flat angles C4'-P-C4' energy: -116.191 flat angles P-C4'-P energy: -81.710 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: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -926.076101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.076101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.076101 (E_RNA) where: Base-Base interactions energy: -458.306 where: short stacking energy: -254.200 Base-Backbone interact. energy: 4.378 local terms energy: -472.148262 where: bonds (distance) C4'-P energy: -112.925 bonds (distance) P-C4' energy: -146.231 flat angles C4'-P-C4' energy: -121.554 flat angles P-C4'-P energy: -87.300 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2902.010729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.010729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.010729 (E_RNA) where: Base-Base interactions energy: -2001.052 where: short stacking energy: -825.885 Base-Backbone interact. energy: -5.581 local terms energy: -895.378378 where: bonds (distance) C4'-P energy: -163.835 bonds (distance) P-C4' energy: -176.201 flat angles C4'-P-C4' energy: -187.155 flat angles P-C4'-P energy: -123.232 tors. eta vs tors. theta energy: -244.955 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: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2841.612468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.612468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.612468 (E_RNA) where: Base-Base interactions energy: -1963.517 where: short stacking energy: -834.072 Base-Backbone interact. energy: -4.286 local terms energy: -873.809663 where: bonds (distance) C4'-P energy: -151.641 bonds (distance) P-C4' energy: -158.633 flat angles C4'-P-C4' energy: -171.612 flat angles P-C4'-P energy: -136.199 tors. eta vs tors. theta energy: -255.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2707.256980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.256980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.256980 (E_RNA) where: Base-Base interactions energy: -1845.881 where: short stacking energy: -821.073 Base-Backbone interact. energy: -5.481 local terms energy: -855.895349 where: bonds (distance) C4'-P energy: -140.915 bonds (distance) P-C4' energy: -147.614 flat angles C4'-P-C4' energy: -185.375 flat angles P-C4'-P energy: -128.451 tors. eta vs tors. theta energy: -253.541 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: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2512.415276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.415276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.415276 (E_RNA) where: Base-Base interactions energy: -1702.556 where: short stacking energy: -747.507 Base-Backbone interact. energy: -3.599 local terms energy: -806.259583 where: bonds (distance) C4'-P energy: -147.042 bonds (distance) P-C4' energy: -156.959 flat angles C4'-P-C4' energy: -178.326 flat angles P-C4'-P energy: -110.015 tors. eta vs tors. theta energy: -213.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2445.841548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.841548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.841548 (E_RNA) where: Base-Base interactions energy: -1677.646 where: short stacking energy: -699.949 Base-Backbone interact. energy: 2.588 local terms energy: -770.783301 where: bonds (distance) C4'-P energy: -136.560 bonds (distance) P-C4' energy: -152.856 flat angles C4'-P-C4' energy: -167.902 flat angles P-C4'-P energy: -111.913 tors. eta vs tors. theta energy: -201.552 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: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2221.804557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.804557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.804557 (E_RNA) where: Base-Base interactions energy: -1484.373 where: short stacking energy: -622.210 Base-Backbone interact. energy: -0.533 local terms energy: -736.897963 where: bonds (distance) C4'-P energy: -131.626 bonds (distance) P-C4' energy: -159.549 flat angles C4'-P-C4' energy: -155.277 flat angles P-C4'-P energy: -107.889 tors. eta vs tors. theta energy: -182.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1708.273860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.273860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.273860 (E_RNA) where: Base-Base interactions energy: -1071.059 where: short stacking energy: -475.676 Base-Backbone interact. energy: -1.968 local terms energy: -635.247588 where: bonds (distance) C4'-P energy: -145.608 bonds (distance) P-C4' energy: -152.753 flat angles C4'-P-C4' energy: -138.076 flat angles P-C4'-P energy: -99.965 tors. eta vs tors. theta energy: -98.845 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: 400 Temperature: 1.250000 Total energy: -1533.299988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.299988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.299988 (E_RNA) where: Base-Base interactions energy: -945.696 where: short stacking energy: -412.652 Base-Backbone interact. energy: -3.574 local terms energy: -584.030468 where: bonds (distance) C4'-P energy: -160.575 bonds (distance) P-C4' energy: -136.560 flat angles C4'-P-C4' energy: -139.448 flat angles P-C4'-P energy: -58.517 tors. eta vs tors. theta energy: -88.931 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: 4 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -923.634505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.634505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.634505 (E_RNA) where: Base-Base interactions energy: -469.131 where: short stacking energy: -274.706 Base-Backbone interact. energy: 3.226 local terms energy: -457.729195 where: bonds (distance) C4'-P energy: -120.851 bonds (distance) P-C4' energy: -152.243 flat angles C4'-P-C4' energy: -100.578 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -11.775 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: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -917.711866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.711866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.711866 (E_RNA) where: Base-Base interactions energy: -465.555 where: short stacking energy: -241.133 Base-Backbone interact. energy: 1.917 local terms energy: -454.073584 where: bonds (distance) C4'-P energy: -125.844 bonds (distance) P-C4' energy: -155.317 flat angles C4'-P-C4' energy: -110.324 flat angles P-C4'-P energy: -66.778 tors. eta vs tors. theta energy: 4.189 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: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2878.128031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.128031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.128031 (E_RNA) where: Base-Base interactions energy: -1978.955 where: short stacking energy: -807.425 Base-Backbone interact. energy: -2.187 local terms energy: -896.985351 where: bonds (distance) C4'-P energy: -154.768 bonds (distance) P-C4' energy: -175.204 flat angles C4'-P-C4' energy: -191.460 flat angles P-C4'-P energy: -132.042 tors. eta vs tors. theta energy: -243.511 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: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2829.928225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.928225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.928225 (E_RNA) where: Base-Base interactions energy: -1939.036 where: short stacking energy: -842.021 Base-Backbone interact. energy: -2.970 local terms energy: -887.921792 where: bonds (distance) C4'-P energy: -147.832 bonds (distance) P-C4' energy: -151.339 flat angles C4'-P-C4' energy: -193.063 flat angles P-C4'-P energy: -128.276 tors. eta vs tors. theta energy: -267.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2726.334706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.334706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.334706 (E_RNA) where: Base-Base interactions energy: -1879.732 where: short stacking energy: -801.793 Base-Backbone interact. energy: -2.987 local terms energy: -843.615238 where: bonds (distance) C4'-P energy: -164.003 bonds (distance) P-C4' energy: -164.325 flat angles C4'-P-C4' energy: -178.641 flat angles P-C4'-P energy: -98.138 tors. eta vs tors. theta energy: -238.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2436.698944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.698944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.698944 (E_RNA) where: Base-Base interactions energy: -1624.347 where: short stacking energy: -696.586 Base-Backbone interact. energy: -2.638 local terms energy: -809.713920 where: bonds (distance) C4'-P energy: -148.098 bonds (distance) P-C4' energy: -143.523 flat angles C4'-P-C4' energy: -174.189 flat angles P-C4'-P energy: -127.174 tors. eta vs tors. theta energy: -216.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2409.848124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.848124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.848124 (E_RNA) where: Base-Base interactions energy: -1630.784 where: short stacking energy: -671.521 Base-Backbone interact. energy: -2.302 local terms energy: -776.762085 where: bonds (distance) C4'-P energy: -143.183 bonds (distance) P-C4' energy: -168.148 flat angles C4'-P-C4' energy: -171.246 flat angles P-C4'-P energy: -108.928 tors. eta vs tors. theta energy: -185.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2235.543212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.543212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.543212 (E_RNA) where: Base-Base interactions energy: -1482.319 where: short stacking energy: -661.181 Base-Backbone interact. energy: -3.552 local terms energy: -749.672255 where: bonds (distance) C4'-P energy: -133.821 bonds (distance) P-C4' energy: -150.388 flat angles C4'-P-C4' energy: -171.206 flat angles P-C4'-P energy: -94.935 tors. eta vs tors. theta energy: -199.323 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: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1680.605889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.605889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.605889 (E_RNA) where: Base-Base interactions energy: -1079.337 where: short stacking energy: -489.841 Base-Backbone interact. energy: -3.921 local terms energy: -597.348363 where: bonds (distance) C4'-P energy: -140.265 bonds (distance) P-C4' energy: -129.426 flat angles C4'-P-C4' energy: -145.415 flat angles P-C4'-P energy: -82.045 tors. eta vs tors. theta energy: -100.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1464.879595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.879595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.879595 (E_RNA) where: Base-Base interactions energy: -886.688 where: short stacking energy: -414.482 Base-Backbone interact. energy: -4.259 local terms energy: -573.932235 where: bonds (distance) C4'-P energy: -140.069 bonds (distance) P-C4' energy: -149.637 flat angles C4'-P-C4' energy: -135.609 flat angles P-C4'-P energy: -91.866 tors. eta vs tors. theta energy: -56.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -919.462390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.462390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.462390 (E_RNA) where: Base-Base interactions energy: -469.447 where: short stacking energy: -267.528 Base-Backbone interact. energy: 5.032 local terms energy: -455.047063 where: bonds (distance) C4'-P energy: -142.150 bonds (distance) P-C4' energy: -138.308 flat angles C4'-P-C4' energy: -141.664 flat angles P-C4'-P energy: -30.041 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -927.790063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.790063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.790063 (E_RNA) where: Base-Base interactions energy: -489.539 where: short stacking energy: -239.376 Base-Backbone interact. energy: -3.080 local terms energy: -435.170744 where: bonds (distance) C4'-P energy: -139.372 bonds (distance) P-C4' energy: -135.098 flat angles C4'-P-C4' energy: -113.030 flat angles P-C4'-P energy: -59.898 tors. eta vs tors. theta energy: 12.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2884.460311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.460311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.460311 (E_RNA) where: Base-Base interactions energy: -1977.987 where: short stacking energy: -815.306 Base-Backbone interact. energy: -0.502 local terms energy: -905.971848 where: bonds (distance) C4'-P energy: -174.592 bonds (distance) P-C4' energy: -171.664 flat angles C4'-P-C4' energy: -186.509 flat angles P-C4'-P energy: -129.930 tors. eta vs tors. theta energy: -243.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2809.743887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.743887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.743887 (E_RNA) where: Base-Base interactions energy: -1921.414 where: short stacking energy: -814.994 Base-Backbone interact. energy: -1.731 local terms energy: -886.598391 where: bonds (distance) C4'-P energy: -154.888 bonds (distance) P-C4' energy: -155.696 flat angles C4'-P-C4' energy: -182.905 flat angles P-C4'-P energy: -130.135 tors. eta vs tors. theta energy: -262.975 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: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2727.221563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.221563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.221563 (E_RNA) where: Base-Base interactions energy: -1852.763 where: short stacking energy: -795.209 Base-Backbone interact. energy: -4.942 local terms energy: -869.516812 where: bonds (distance) C4'-P energy: -158.834 bonds (distance) P-C4' energy: -154.315 flat angles C4'-P-C4' energy: -194.969 flat angles P-C4'-P energy: -117.884 tors. eta vs tors. theta energy: -243.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2482.853165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.853165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.853165 (E_RNA) where: Base-Base interactions energy: -1647.757 where: short stacking energy: -704.821 Base-Backbone interact. energy: -1.033 local terms energy: -834.063626 where: bonds (distance) C4'-P energy: -166.973 bonds (distance) P-C4' energy: -157.966 flat angles C4'-P-C4' energy: -169.959 flat angles P-C4'-P energy: -116.537 tors. eta vs tors. theta energy: -222.628 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: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2329.920115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.920115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.920115 (E_RNA) where: Base-Base interactions energy: -1559.086 where: short stacking energy: -686.480 Base-Backbone interact. energy: -3.648 local terms energy: -767.186562 where: bonds (distance) C4'-P energy: -133.381 bonds (distance) P-C4' energy: -160.618 flat angles C4'-P-C4' energy: -158.892 flat angles P-C4'-P energy: -110.619 tors. eta vs tors. theta energy: -203.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2318.126422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.126422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.126422 (E_RNA) where: Base-Base interactions energy: -1572.962 where: short stacking energy: -652.159 Base-Backbone interact. energy: 1.952 local terms energy: -747.116354 where: bonds (distance) C4'-P energy: -132.642 bonds (distance) P-C4' energy: -160.808 flat angles C4'-P-C4' energy: -160.429 flat angles P-C4'-P energy: -109.488 tors. eta vs tors. theta energy: -183.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1735.536498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.536498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.536498 (E_RNA) where: Base-Base interactions energy: -1091.772 where: short stacking energy: -486.934 Base-Backbone interact. energy: -3.553 local terms energy: -640.212141 where: bonds (distance) C4'-P energy: -145.275 bonds (distance) P-C4' energy: -146.289 flat angles C4'-P-C4' energy: -147.694 flat angles P-C4'-P energy: -99.433 tors. eta vs tors. theta energy: -101.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1484.161960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.161960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.161960 (E_RNA) where: Base-Base interactions energy: -904.897 where: short stacking energy: -409.026 Base-Backbone interact. energy: 2.835 local terms energy: -582.099551 where: bonds (distance) C4'-P energy: -149.506 bonds (distance) P-C4' energy: -134.033 flat angles C4'-P-C4' energy: -139.446 flat angles P-C4'-P energy: -74.846 tors. eta vs tors. theta energy: -84.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -950.836005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.836005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.836005 (E_RNA) where: Base-Base interactions energy: -471.097 where: short stacking energy: -242.973 Base-Backbone interact. energy: 3.112 local terms energy: -482.851057 where: bonds (distance) C4'-P energy: -151.527 bonds (distance) P-C4' energy: -142.328 flat angles C4'-P-C4' energy: -125.024 flat angles P-C4'-P energy: -74.340 tors. eta vs tors. theta energy: 10.368 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: 402 Temperature: 1.350000 Total energy: -928.012602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.012602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.012602 (E_RNA) where: Base-Base interactions energy: -450.224 where: short stacking energy: -217.867 Base-Backbone interact. energy: -0.698 local terms energy: -477.090659 where: bonds (distance) C4'-P energy: -136.767 bonds (distance) P-C4' energy: -142.420 flat angles C4'-P-C4' energy: -139.562 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: 12.035 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: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2875.701628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.701628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.701628 (E_RNA) where: Base-Base interactions energy: -2002.229 where: short stacking energy: -836.477 Base-Backbone interact. energy: -5.321 local terms energy: -868.151753 where: bonds (distance) C4'-P energy: -172.055 bonds (distance) P-C4' energy: -157.049 flat angles C4'-P-C4' energy: -189.722 flat angles P-C4'-P energy: -108.423 tors. eta vs tors. theta energy: -240.902 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: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2819.860058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.860058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.860058 (E_RNA) where: Base-Base interactions energy: -1916.489 where: short stacking energy: -800.495 Base-Backbone interact. energy: -3.224 local terms energy: -900.147195 where: bonds (distance) C4'-P energy: -167.320 bonds (distance) P-C4' energy: -157.933 flat angles C4'-P-C4' energy: -190.755 flat angles P-C4'-P energy: -127.209 tors. eta vs tors. theta energy: -256.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2725.241562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.241562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.241562 (E_RNA) where: Base-Base interactions energy: -1854.331 where: short stacking energy: -798.848 Base-Backbone interact. energy: -6.609 local terms energy: -864.301143 where: bonds (distance) C4'-P energy: -142.416 bonds (distance) P-C4' energy: -168.281 flat angles C4'-P-C4' energy: -186.044 flat angles P-C4'-P energy: -116.149 tors. eta vs tors. theta energy: -251.412 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: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2454.399899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.399899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.399899 (E_RNA) where: Base-Base interactions energy: -1673.457 where: short stacking energy: -716.019 Base-Backbone interact. energy: 0.100 local terms energy: -781.042860 where: bonds (distance) C4'-P energy: -139.504 bonds (distance) P-C4' energy: -143.219 flat angles C4'-P-C4' energy: -181.245 flat angles P-C4'-P energy: -108.263 tors. eta vs tors. theta energy: -208.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2332.569086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.569086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.569086 (E_RNA) where: Base-Base interactions energy: -1582.874 where: short stacking energy: -660.227 Base-Backbone interact. energy: 3.237 local terms energy: -752.932209 where: bonds (distance) C4'-P energy: -132.800 bonds (distance) P-C4' energy: -144.878 flat angles C4'-P-C4' energy: -170.549 flat angles P-C4'-P energy: -105.544 tors. eta vs tors. theta energy: -199.162 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: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2322.606199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.606199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.606199 (E_RNA) where: Base-Base interactions energy: -1585.022 where: short stacking energy: -655.593 Base-Backbone interact. energy: -0.402 local terms energy: -737.182906 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -158.388 flat angles C4'-P-C4' energy: -157.278 flat angles P-C4'-P energy: -115.394 tors. eta vs tors. theta energy: -177.979 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: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1672.766071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.766071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.766071 (E_RNA) where: Base-Base interactions energy: -1036.660 where: short stacking energy: -483.628 Base-Backbone interact. energy: -2.653 local terms energy: -633.452634 where: bonds (distance) C4'-P energy: -135.898 bonds (distance) P-C4' energy: -146.381 flat angles C4'-P-C4' energy: -142.799 flat angles P-C4'-P energy: -97.340 tors. eta vs tors. theta energy: -111.034 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: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1505.666414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.666414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.666414 (E_RNA) where: Base-Base interactions energy: -966.808 where: short stacking energy: -401.931 Base-Backbone interact. energy: 0.148 local terms energy: -539.006079 where: bonds (distance) C4'-P energy: -127.887 bonds (distance) P-C4' energy: -132.725 flat angles C4'-P-C4' energy: -120.854 flat angles P-C4'-P energy: -82.406 tors. eta vs tors. theta energy: -75.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -913.627389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.627389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.627389 (E_RNA) where: Base-Base interactions energy: -448.153 where: short stacking energy: -274.466 Base-Backbone interact. energy: 7.484 local terms energy: -472.958464 where: bonds (distance) C4'-P energy: -128.735 bonds (distance) P-C4' energy: -135.442 flat angles C4'-P-C4' energy: -131.635 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -18.114 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: 403 Temperature: 1.350000 Total energy: -952.283507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.283507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.283507 (E_RNA) where: Base-Base interactions energy: -501.895 where: short stacking energy: -299.756 Base-Backbone interact. energy: 2.106 local terms energy: -452.494143 where: bonds (distance) C4'-P energy: -111.309 bonds (distance) P-C4' energy: -127.079 flat angles C4'-P-C4' energy: -110.201 flat angles P-C4'-P energy: -69.788 tors. eta vs tors. theta energy: -34.117 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: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2899.819655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.819655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.819655 (E_RNA) where: Base-Base interactions energy: -1999.411 where: short stacking energy: -831.921 Base-Backbone interact. energy: -6.104 local terms energy: -894.305125 where: bonds (distance) C4'-P energy: -156.423 bonds (distance) P-C4' energy: -167.543 flat angles C4'-P-C4' energy: -190.324 flat angles P-C4'-P energy: -130.725 tors. eta vs tors. theta energy: -249.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2775.421660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.421660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.421660 (E_RNA) where: Base-Base interactions energy: -1912.388 where: short stacking energy: -826.274 Base-Backbone interact. energy: -0.181 local terms energy: -862.852793 where: bonds (distance) C4'-P energy: -159.685 bonds (distance) P-C4' energy: -158.871 flat angles C4'-P-C4' energy: -180.705 flat angles P-C4'-P energy: -117.094 tors. eta vs tors. theta energy: -246.498 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: 8 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2685.970744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.970744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.970744 (E_RNA) where: Base-Base interactions energy: -1800.032 where: short stacking energy: -770.364 Base-Backbone interact. energy: -4.454 local terms energy: -881.485387 where: bonds (distance) C4'-P energy: -168.295 bonds (distance) P-C4' energy: -161.854 flat angles C4'-P-C4' energy: -186.770 flat angles P-C4'-P energy: -108.310 tors. eta vs tors. theta energy: -256.255 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: 9 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2492.257453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.257453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.257453 (E_RNA) where: Base-Base interactions energy: -1708.532 where: short stacking energy: -721.945 Base-Backbone interact. energy: 0.437 local terms energy: -784.161501 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -159.502 flat angles C4'-P-C4' energy: -172.102 flat angles P-C4'-P energy: -93.377 tors. eta vs tors. theta energy: -214.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2427.090588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.090588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.090588 (E_RNA) where: Base-Base interactions energy: -1626.536 where: short stacking energy: -696.543 Base-Backbone interact. energy: -0.932 local terms energy: -799.622838 where: bonds (distance) C4'-P energy: -160.597 bonds (distance) P-C4' energy: -145.171 flat angles C4'-P-C4' energy: -168.130 flat angles P-C4'-P energy: -111.297 tors. eta vs tors. theta energy: -214.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2267.497286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.497286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.497286 (E_RNA) where: Base-Base interactions energy: -1519.292 where: short stacking energy: -637.503 Base-Backbone interact. energy: -2.434 local terms energy: -745.771637 where: bonds (distance) C4'-P energy: -129.522 bonds (distance) P-C4' energy: -174.700 flat angles C4'-P-C4' energy: -161.283 flat angles P-C4'-P energy: -104.370 tors. eta vs tors. theta energy: -175.896 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: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1725.171028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.171028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.171028 (E_RNA) where: Base-Base interactions energy: -1104.608 where: short stacking energy: -513.898 Base-Backbone interact. energy: -3.210 local terms energy: -617.353590 where: bonds (distance) C4'-P energy: -133.180 bonds (distance) P-C4' energy: -144.001 flat angles C4'-P-C4' energy: -141.799 flat angles P-C4'-P energy: -76.771 tors. eta vs tors. theta energy: -121.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1478.556845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.556845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.556845 (E_RNA) where: Base-Base interactions energy: -920.399 where: short stacking energy: -427.012 Base-Backbone interact. energy: 2.401 local terms energy: -560.558264 where: bonds (distance) C4'-P energy: -128.073 bonds (distance) P-C4' energy: -144.271 flat angles C4'-P-C4' energy: -141.475 flat angles P-C4'-P energy: -73.114 tors. eta vs tors. theta energy: -73.625 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: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -991.550736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.550736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.550736 (E_RNA) where: Base-Base interactions energy: -517.403 where: short stacking energy: -276.088 Base-Backbone interact. energy: 0.168 local terms energy: -474.315226 where: bonds (distance) C4'-P energy: -146.043 bonds (distance) P-C4' energy: -149.266 flat angles C4'-P-C4' energy: -99.586 flat angles P-C4'-P energy: -78.422 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: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -879.278920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.278920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.278920 (E_RNA) where: Base-Base interactions energy: -419.656 where: short stacking energy: -263.701 Base-Backbone interact. energy: 1.970 local terms energy: -461.593389 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -132.938 flat angles C4'-P-C4' energy: -108.127 flat angles P-C4'-P energy: -75.698 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: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2936.154490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.154490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.154490 (E_RNA) where: Base-Base interactions energy: -2017.056 where: short stacking energy: -823.380 Base-Backbone interact. energy: -4.616 local terms energy: -914.482558 where: bonds (distance) C4'-P energy: -169.557 bonds (distance) P-C4' energy: -177.758 flat angles C4'-P-C4' energy: -185.200 flat angles P-C4'-P energy: -134.892 tors. eta vs tors. theta energy: -247.076 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: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2804.663823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.663823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.663823 (E_RNA) where: Base-Base interactions energy: -1913.711 where: short stacking energy: -824.710 Base-Backbone interact. energy: -3.875 local terms energy: -887.078188 where: bonds (distance) C4'-P energy: -169.148 bonds (distance) P-C4' energy: -168.789 flat angles C4'-P-C4' energy: -185.953 flat angles P-C4'-P energy: -122.559 tors. eta vs tors. theta energy: -240.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2691.159179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.159179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.159179 (E_RNA) where: Base-Base interactions energy: -1840.849 where: short stacking energy: -791.754 Base-Backbone interact. energy: -6.653 local terms energy: -843.657659 where: bonds (distance) C4'-P energy: -143.057 bonds (distance) P-C4' energy: -150.728 flat angles C4'-P-C4' energy: -179.901 flat angles P-C4'-P energy: -123.986 tors. eta vs tors. theta energy: -245.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2461.428061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.428061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.428061 (E_RNA) where: Base-Base interactions energy: -1666.504 where: short stacking energy: -740.651 Base-Backbone interact. energy: -2.054 local terms energy: -792.870668 where: bonds (distance) C4'-P energy: -151.985 bonds (distance) P-C4' energy: -147.121 flat angles C4'-P-C4' energy: -164.274 flat angles P-C4'-P energy: -114.731 tors. eta vs tors. theta energy: -214.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2348.192945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.192945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.192945 (E_RNA) where: Base-Base interactions energy: -1557.934 where: short stacking energy: -657.468 Base-Backbone interact. energy: -1.415 local terms energy: -788.843182 where: bonds (distance) C4'-P energy: -144.769 bonds (distance) P-C4' energy: -166.262 flat angles C4'-P-C4' energy: -163.757 flat angles P-C4'-P energy: -117.273 tors. eta vs tors. theta energy: -196.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2251.500392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.500392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.500392 (E_RNA) where: Base-Base interactions energy: -1542.096 where: short stacking energy: -648.064 Base-Backbone interact. energy: -3.617 local terms energy: -705.787249 where: bonds (distance) C4'-P energy: -138.836 bonds (distance) P-C4' energy: -138.452 flat angles C4'-P-C4' energy: -150.009 flat angles P-C4'-P energy: -108.707 tors. eta vs tors. theta energy: -169.784 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: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1701.884597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.884597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.884597 (E_RNA) where: Base-Base interactions energy: -1058.125 where: short stacking energy: -462.690 Base-Backbone interact. energy: -1.825 local terms energy: -641.934161 where: bonds (distance) C4'-P energy: -147.313 bonds (distance) P-C4' energy: -156.053 flat angles C4'-P-C4' energy: -145.803 flat angles P-C4'-P energy: -81.124 tors. eta vs tors. theta energy: -111.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1536.308923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.308923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.308923 (E_RNA) where: Base-Base interactions energy: -955.252 where: short stacking energy: -436.316 Base-Backbone interact. energy: -2.418 local terms energy: -578.639577 where: bonds (distance) C4'-P energy: -128.716 bonds (distance) P-C4' energy: -130.916 flat angles C4'-P-C4' energy: -150.229 flat angles P-C4'-P energy: -91.598 tors. eta vs tors. theta energy: -77.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -979.949397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.949397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.949397 (E_RNA) where: Base-Base interactions energy: -502.661 where: short stacking energy: -279.506 Base-Backbone interact. energy: 4.201 local terms energy: -481.489600 where: bonds (distance) C4'-P energy: -137.807 bonds (distance) P-C4' energy: -152.421 flat angles C4'-P-C4' energy: -117.757 flat angles P-C4'-P energy: -69.099 tors. eta vs tors. theta energy: -4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -836.675735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.675735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.675735 (E_RNA) where: Base-Base interactions energy: -413.317 where: short stacking energy: -196.601 Base-Backbone interact. energy: 2.383 local terms energy: -425.741132 where: bonds (distance) C4'-P energy: -141.867 bonds (distance) P-C4' energy: -131.581 flat angles C4'-P-C4' energy: -100.335 flat angles P-C4'-P energy: -56.051 tors. eta vs tors. theta energy: 4.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2888.334620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.334620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.334620 (E_RNA) where: Base-Base interactions energy: -1985.545 where: short stacking energy: -819.240 Base-Backbone interact. energy: -0.211 local terms energy: -902.579057 where: bonds (distance) C4'-P energy: -179.597 bonds (distance) P-C4' energy: -171.354 flat angles C4'-P-C4' energy: -189.637 flat angles P-C4'-P energy: -118.279 tors. eta vs tors. theta energy: -243.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2792.791114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.791114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.791114 (E_RNA) where: Base-Base interactions energy: -1900.461 where: short stacking energy: -817.465 Base-Backbone interact. energy: -4.998 local terms energy: -887.332599 where: bonds (distance) C4'-P energy: -165.456 bonds (distance) P-C4' energy: -165.007 flat angles C4'-P-C4' energy: -173.038 flat angles P-C4'-P energy: -124.180 tors. eta vs tors. theta energy: -259.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2658.371050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.371050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.371050 (E_RNA) where: Base-Base interactions energy: -1804.063 where: short stacking energy: -790.047 Base-Backbone interact. energy: -1.574 local terms energy: -852.734345 where: bonds (distance) C4'-P energy: -162.235 bonds (distance) P-C4' energy: -150.585 flat angles C4'-P-C4' energy: -178.637 flat angles P-C4'-P energy: -120.308 tors. eta vs tors. theta energy: -240.969 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: 4, replica: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2444.550372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.550372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.550372 (E_RNA) where: Base-Base interactions energy: -1656.999 where: short stacking energy: -736.996 Base-Backbone interact. energy: -4.132 local terms energy: -783.419544 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -154.181 flat angles C4'-P-C4' energy: -165.903 flat angles P-C4'-P energy: -109.692 tors. eta vs tors. theta energy: -210.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2347.473991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.473991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.473991 (E_RNA) where: Base-Base interactions energy: -1527.012 where: short stacking energy: -688.946 Base-Backbone interact. energy: -3.148 local terms energy: -817.314511 where: bonds (distance) C4'-P energy: -173.164 bonds (distance) P-C4' energy: -160.001 flat angles C4'-P-C4' energy: -183.105 flat angles P-C4'-P energy: -93.679 tors. eta vs tors. theta energy: -207.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2210.177442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.177442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.177442 (E_RNA) where: Base-Base interactions energy: -1493.032 where: short stacking energy: -636.095 Base-Backbone interact. energy: -0.604 local terms energy: -716.541982 where: bonds (distance) C4'-P energy: -139.069 bonds (distance) P-C4' energy: -148.337 flat angles C4'-P-C4' energy: -147.729 flat angles P-C4'-P energy: -103.076 tors. eta vs tors. theta energy: -178.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1732.828351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.828351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.828351 (E_RNA) where: Base-Base interactions energy: -1086.301 where: short stacking energy: -499.644 Base-Backbone interact. energy: -1.509 local terms energy: -645.018575 where: bonds (distance) C4'-P energy: -147.689 bonds (distance) P-C4' energy: -152.941 flat angles C4'-P-C4' energy: -150.313 flat angles P-C4'-P energy: -88.918 tors. eta vs tors. theta energy: -105.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1419.098036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.098036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.098036 (E_RNA) where: Base-Base interactions energy: -875.628 where: short stacking energy: -374.375 Base-Backbone interact. energy: -2.967 local terms energy: -540.503019 where: bonds (distance) C4'-P energy: -109.381 bonds (distance) P-C4' energy: -153.580 flat angles C4'-P-C4' energy: -112.917 flat angles P-C4'-P energy: -91.105 tors. eta vs tors. theta energy: -73.519 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: 406 Temperature: 1.300000 Total energy: -983.425314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.425314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.425314 (E_RNA) where: Base-Base interactions energy: -504.303 where: short stacking energy: -278.962 Base-Backbone interact. energy: -1.372 local terms energy: -477.750330 where: bonds (distance) C4'-P energy: -146.309 bonds (distance) P-C4' energy: -130.325 flat angles C4'-P-C4' energy: -112.880 flat angles P-C4'-P energy: -82.411 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -847.690420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.690420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.690420 (E_RNA) where: Base-Base interactions energy: -422.817 where: short stacking energy: -251.525 Base-Backbone interact. energy: 0.931 local terms energy: -425.805215 where: bonds (distance) C4'-P energy: -138.611 bonds (distance) P-C4' energy: -125.005 flat angles C4'-P-C4' energy: -97.647 flat angles P-C4'-P energy: -63.921 tors. eta vs tors. theta energy: -0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2859.619496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.619496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.619496 (E_RNA) where: Base-Base interactions energy: -1956.116 where: short stacking energy: -823.833 Base-Backbone interact. energy: 0.144 local terms energy: -903.646699 where: bonds (distance) C4'-P energy: -177.845 bonds (distance) P-C4' energy: -176.964 flat angles C4'-P-C4' energy: -183.754 flat angles P-C4'-P energy: -125.857 tors. eta vs tors. theta energy: -239.226 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: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2819.515254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.515254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.515254 (E_RNA) where: Base-Base interactions energy: -1922.670 where: short stacking energy: -830.625 Base-Backbone interact. energy: -3.406 local terms energy: -893.439879 where: bonds (distance) C4'-P energy: -168.365 bonds (distance) P-C4' energy: -155.574 flat angles C4'-P-C4' energy: -171.951 flat angles P-C4'-P energy: -133.330 tors. eta vs tors. theta energy: -264.220 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: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2678.069188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.069188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.069188 (E_RNA) where: Base-Base interactions energy: -1805.798 where: short stacking energy: -817.307 Base-Backbone interact. energy: -1.321 local terms energy: -870.950474 where: bonds (distance) C4'-P energy: -167.586 bonds (distance) P-C4' energy: -167.685 flat angles C4'-P-C4' energy: -176.640 flat angles P-C4'-P energy: -115.515 tors. eta vs tors. theta energy: -243.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2500.124034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.124034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.124034 (E_RNA) where: Base-Base interactions energy: -1684.075 where: short stacking energy: -722.152 Base-Backbone interact. energy: -3.012 local terms energy: -813.037444 where: bonds (distance) C4'-P energy: -149.941 bonds (distance) P-C4' energy: -144.938 flat angles C4'-P-C4' energy: -183.543 flat angles P-C4'-P energy: -110.340 tors. eta vs tors. theta energy: -224.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2312.813561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.813561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.813561 (E_RNA) where: Base-Base interactions energy: -1545.327 where: short stacking energy: -667.115 Base-Backbone interact. energy: -2.035 local terms energy: -765.452030 where: bonds (distance) C4'-P energy: -145.260 bonds (distance) P-C4' energy: -154.235 flat angles C4'-P-C4' energy: -181.547 flat angles P-C4'-P energy: -87.409 tors. eta vs tors. theta energy: -197.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2194.450472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.450472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.450472 (E_RNA) where: Base-Base interactions energy: -1457.969 where: short stacking energy: -616.491 Base-Backbone interact. energy: -3.554 local terms energy: -732.927097 where: bonds (distance) C4'-P energy: -147.375 bonds (distance) P-C4' energy: -164.851 flat angles C4'-P-C4' energy: -152.982 flat angles P-C4'-P energy: -97.000 tors. eta vs tors. theta energy: -170.718 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: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1780.105597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.105597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.105597 (E_RNA) where: Base-Base interactions energy: -1143.059 where: short stacking energy: -518.292 Base-Backbone interact. energy: -0.420 local terms energy: -636.626543 where: bonds (distance) C4'-P energy: -134.698 bonds (distance) P-C4' energy: -142.049 flat angles C4'-P-C4' energy: -151.436 flat angles P-C4'-P energy: -89.835 tors. eta vs tors. theta energy: -118.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1447.866291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.866291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.866291 (E_RNA) where: Base-Base interactions energy: -876.842 where: short stacking energy: -403.389 Base-Backbone interact. energy: 2.412 local terms energy: -573.436040 where: bonds (distance) C4'-P energy: -138.610 bonds (distance) P-C4' energy: -138.165 flat angles C4'-P-C4' energy: -146.059 flat angles P-C4'-P energy: -97.574 tors. eta vs tors. theta energy: -53.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -990.121543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.121543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.121543 (E_RNA) where: Base-Base interactions energy: -506.707 where: short stacking energy: -295.605 Base-Backbone interact. energy: 0.278 local terms energy: -483.692607 where: bonds (distance) C4'-P energy: -126.319 bonds (distance) P-C4' energy: -145.602 flat angles C4'-P-C4' energy: -138.522 flat angles P-C4'-P energy: -65.448 tors. eta vs tors. theta energy: -7.802 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: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -857.137386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.137386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.137386 (E_RNA) where: Base-Base interactions energy: -383.805 where: short stacking energy: -233.053 Base-Backbone interact. energy: 1.603 local terms energy: -474.935464 where: bonds (distance) C4'-P energy: -133.916 bonds (distance) P-C4' energy: -146.325 flat angles C4'-P-C4' energy: -124.789 flat angles P-C4'-P energy: -63.848 tors. eta vs tors. theta energy: -6.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2921.063490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.063490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.063490 (E_RNA) where: Base-Base interactions energy: -2004.528 where: short stacking energy: -838.975 Base-Backbone interact. energy: -2.027 local terms energy: -914.507930 where: bonds (distance) C4'-P energy: -161.803 bonds (distance) P-C4' energy: -163.816 flat angles C4'-P-C4' energy: -198.278 flat angles P-C4'-P energy: -127.281 tors. eta vs tors. theta energy: -263.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2817.679326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.679326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.679326 (E_RNA) where: Base-Base interactions energy: -1948.527 where: short stacking energy: -818.286 Base-Backbone interact. energy: -1.171 local terms energy: -867.981689 where: bonds (distance) C4'-P energy: -157.973 bonds (distance) P-C4' energy: -151.844 flat angles C4'-P-C4' energy: -191.963 flat angles P-C4'-P energy: -129.337 tors. eta vs tors. theta energy: -236.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2718.869857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.869857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.869857 (E_RNA) where: Base-Base interactions energy: -1860.949 where: short stacking energy: -800.481 Base-Backbone interact. energy: 2.204 local terms energy: -860.124776 where: bonds (distance) C4'-P energy: -150.378 bonds (distance) P-C4' energy: -157.380 flat angles C4'-P-C4' energy: -187.381 flat angles P-C4'-P energy: -130.652 tors. eta vs tors. theta energy: -234.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2496.570587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.570587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.570587 (E_RNA) where: Base-Base interactions energy: -1656.387 where: short stacking energy: -743.581 Base-Backbone interact. energy: -0.042 local terms energy: -840.140929 where: bonds (distance) C4'-P energy: -168.795 bonds (distance) P-C4' energy: -157.530 flat angles C4'-P-C4' energy: -173.019 flat angles P-C4'-P energy: -123.991 tors. eta vs tors. theta energy: -216.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2333.007811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.007811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.007811 (E_RNA) where: Base-Base interactions energy: -1542.664 where: short stacking energy: -694.172 Base-Backbone interact. energy: -1.337 local terms energy: -789.007119 where: bonds (distance) C4'-P energy: -139.132 bonds (distance) P-C4' energy: -154.438 flat angles C4'-P-C4' energy: -174.920 flat angles P-C4'-P energy: -111.040 tors. eta vs tors. theta energy: -209.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2161.502074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.502074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.502074 (E_RNA) where: Base-Base interactions energy: -1421.100 where: short stacking energy: -602.300 Base-Backbone interact. energy: -3.986 local terms energy: -736.416363 where: bonds (distance) C4'-P energy: -163.175 bonds (distance) P-C4' energy: -129.323 flat angles C4'-P-C4' energy: -158.005 flat angles P-C4'-P energy: -113.412 tors. eta vs tors. theta energy: -172.501 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: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1771.291284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.291284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.291284 (E_RNA) where: Base-Base interactions energy: -1119.863 where: short stacking energy: -524.541 Base-Backbone interact. energy: 0.126 local terms energy: -651.553848 where: bonds (distance) C4'-P energy: -155.487 bonds (distance) P-C4' energy: -146.664 flat angles C4'-P-C4' energy: -143.823 flat angles P-C4'-P energy: -84.017 tors. eta vs tors. theta energy: -121.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1552.526217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.526217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.526217 (E_RNA) where: Base-Base interactions energy: -966.785 where: short stacking energy: -446.118 Base-Backbone interact. energy: -4.192 local terms energy: -581.549572 where: bonds (distance) C4'-P energy: -137.546 bonds (distance) P-C4' energy: -131.552 flat angles C4'-P-C4' energy: -148.326 flat angles P-C4'-P energy: -62.246 tors. eta vs tors. theta energy: -101.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1001.599496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.599496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.599496 (E_RNA) where: Base-Base interactions energy: -509.383 where: short stacking energy: -257.061 Base-Backbone interact. energy: 1.441 local terms energy: -493.657793 where: bonds (distance) C4'-P energy: -144.641 bonds (distance) P-C4' energy: -132.281 flat angles C4'-P-C4' energy: -136.651 flat angles P-C4'-P energy: -77.416 tors. eta vs tors. theta energy: -2.669 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: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -852.037123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.037123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.037123 (E_RNA) where: Base-Base interactions energy: -410.164 where: short stacking energy: -218.588 Base-Backbone interact. energy: 3.359 local terms energy: -445.232146 where: bonds (distance) C4'-P energy: -141.135 bonds (distance) P-C4' energy: -117.675 flat angles C4'-P-C4' energy: -126.188 flat angles P-C4'-P energy: -60.956 tors. eta vs tors. theta energy: 0.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2889.305182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.305182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.305182 (E_RNA) where: Base-Base interactions energy: -1980.459 where: short stacking energy: -844.471 Base-Backbone interact. energy: -2.262 local terms energy: -906.584185 where: bonds (distance) C4'-P energy: -173.462 bonds (distance) P-C4' energy: -158.842 flat angles C4'-P-C4' energy: -185.891 flat angles P-C4'-P energy: -123.940 tors. eta vs tors. theta energy: -264.449 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: 409 Temperature: 0.950000 Total energy: -2855.872976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.872976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.872976 (E_RNA) where: Base-Base interactions energy: -1970.616 where: short stacking energy: -825.022 Base-Backbone interact. energy: -5.196 local terms energy: -880.060986 where: bonds (distance) C4'-P energy: -166.893 bonds (distance) P-C4' energy: -150.625 flat angles C4'-P-C4' energy: -192.653 flat angles P-C4'-P energy: -122.378 tors. eta vs tors. theta energy: -247.513 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: 409 Temperature: 1.000000 Total energy: -2709.409538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.409538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.409538 (E_RNA) where: Base-Base interactions energy: -1838.523 where: short stacking energy: -791.320 Base-Backbone interact. energy: 4.328 local terms energy: -875.214464 where: bonds (distance) C4'-P energy: -163.699 bonds (distance) P-C4' energy: -160.891 flat angles C4'-P-C4' energy: -182.026 flat angles P-C4'-P energy: -118.170 tors. eta vs tors. theta energy: -250.430 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: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2510.098775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.098775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.098775 (E_RNA) where: Base-Base interactions energy: -1695.319 where: short stacking energy: -708.425 Base-Backbone interact. energy: -1.058 local terms energy: -813.722203 where: bonds (distance) C4'-P energy: -173.496 bonds (distance) P-C4' energy: -160.276 flat angles C4'-P-C4' energy: -164.941 flat angles P-C4'-P energy: -97.203 tors. eta vs tors. theta energy: -217.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2318.294311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.294311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.294311 (E_RNA) where: Base-Base interactions energy: -1550.645 where: short stacking energy: -683.547 Base-Backbone interact. energy: -3.724 local terms energy: -763.924993 where: bonds (distance) C4'-P energy: -159.470 bonds (distance) P-C4' energy: -141.814 flat angles C4'-P-C4' energy: -160.512 flat angles P-C4'-P energy: -99.271 tors. eta vs tors. theta energy: -202.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2183.546466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.546466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.546466 (E_RNA) where: Base-Base interactions energy: -1474.949 where: short stacking energy: -613.547 Base-Backbone interact. energy: 2.584 local terms energy: -711.180744 where: bonds (distance) C4'-P energy: -127.316 bonds (distance) P-C4' energy: -155.396 flat angles C4'-P-C4' energy: -175.589 flat angles P-C4'-P energy: -99.929 tors. eta vs tors. theta energy: -152.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1720.082842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.082842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.082842 (E_RNA) where: Base-Base interactions energy: -1068.448 where: short stacking energy: -500.650 Base-Backbone interact. energy: 1.306 local terms energy: -652.939877 where: bonds (distance) C4'-P energy: -149.475 bonds (distance) P-C4' energy: -149.056 flat angles C4'-P-C4' energy: -128.556 flat angles P-C4'-P energy: -103.834 tors. eta vs tors. theta energy: -122.020 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: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1494.426396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.426396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.426396 (E_RNA) where: Base-Base interactions energy: -913.780 where: short stacking energy: -428.999 Base-Backbone interact. energy: 3.898 local terms energy: -584.544827 where: bonds (distance) C4'-P energy: -131.679 bonds (distance) P-C4' energy: -136.359 flat angles C4'-P-C4' energy: -141.305 flat angles P-C4'-P energy: -95.249 tors. eta vs tors. theta energy: -79.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1038.192566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.192566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.192566 (E_RNA) where: Base-Base interactions energy: -561.213 where: short stacking energy: -290.116 Base-Backbone interact. energy: -0.154 local terms energy: -476.826167 where: bonds (distance) C4'-P energy: -128.519 bonds (distance) P-C4' energy: -140.695 flat angles C4'-P-C4' energy: -123.396 flat angles P-C4'-P energy: -56.275 tors. eta vs tors. theta energy: -27.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -832.185620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.185620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.185620 (E_RNA) where: Base-Base interactions energy: -387.633 where: short stacking energy: -219.112 Base-Backbone interact. energy: -0.291 local terms energy: -444.261485 where: bonds (distance) C4'-P energy: -143.812 bonds (distance) P-C4' energy: -131.769 flat angles C4'-P-C4' energy: -129.144 flat angles P-C4'-P energy: -58.113 tors. eta vs tors. theta energy: 18.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2934.218390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.218390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.218390 (E_RNA) where: Base-Base interactions energy: -2037.715 where: short stacking energy: -875.231 Base-Backbone interact. energy: -1.589 local terms energy: -894.914179 where: bonds (distance) C4'-P energy: -148.361 bonds (distance) P-C4' energy: -168.101 flat angles C4'-P-C4' energy: -190.563 flat angles P-C4'-P energy: -132.094 tors. eta vs tors. theta energy: -255.794 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: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2831.353073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.353073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.353073 (E_RNA) where: Base-Base interactions energy: -1933.501 where: short stacking energy: -827.877 Base-Backbone interact. energy: -5.355 local terms energy: -892.497490 where: bonds (distance) C4'-P energy: -165.323 bonds (distance) P-C4' energy: -170.038 flat angles C4'-P-C4' energy: -180.846 flat angles P-C4'-P energy: -129.029 tors. eta vs tors. theta energy: -247.261 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: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2715.165908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.165908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.165908 (E_RNA) where: Base-Base interactions energy: -1857.139 where: short stacking energy: -798.292 Base-Backbone interact. energy: -2.118 local terms energy: -855.908651 where: bonds (distance) C4'-P energy: -152.451 bonds (distance) P-C4' energy: -157.920 flat angles C4'-P-C4' energy: -181.221 flat angles P-C4'-P energy: -119.618 tors. eta vs tors. theta energy: -244.698 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: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2547.295051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.295051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.295051 (E_RNA) where: Base-Base interactions energy: -1703.937 where: short stacking energy: -733.969 Base-Backbone interact. energy: -1.475 local terms energy: -841.882897 where: bonds (distance) C4'-P energy: -162.987 bonds (distance) P-C4' energy: -156.381 flat angles C4'-P-C4' energy: -172.431 flat angles P-C4'-P energy: -129.090 tors. eta vs tors. theta energy: -220.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2370.597114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.597114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.597114 (E_RNA) where: Base-Base interactions energy: -1589.886 where: short stacking energy: -694.580 Base-Backbone interact. energy: -3.682 local terms energy: -777.029201 where: bonds (distance) C4'-P energy: -144.709 bonds (distance) P-C4' energy: -141.893 flat angles C4'-P-C4' energy: -170.443 flat angles P-C4'-P energy: -113.136 tors. eta vs tors. theta energy: -206.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2231.697301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.697301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.697301 (E_RNA) where: Base-Base interactions energy: -1483.526 where: short stacking energy: -648.179 Base-Backbone interact. energy: 0.730 local terms energy: -748.901446 where: bonds (distance) C4'-P energy: -142.860 bonds (distance) P-C4' energy: -151.263 flat angles C4'-P-C4' energy: -151.968 flat angles P-C4'-P energy: -106.184 tors. eta vs tors. theta energy: -196.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1727.958951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.958951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.958951 (E_RNA) where: Base-Base interactions energy: -1071.728 where: short stacking energy: -474.559 Base-Backbone interact. energy: 0.000 local terms energy: -656.230656 where: bonds (distance) C4'-P energy: -139.371 bonds (distance) P-C4' energy: -148.505 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -102.709 tors. eta vs tors. theta energy: -114.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1501.928207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.928207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.928207 (E_RNA) where: Base-Base interactions energy: -938.122 where: short stacking energy: -448.108 Base-Backbone interact. energy: 2.432 local terms energy: -566.238673 where: bonds (distance) C4'-P energy: -129.980 bonds (distance) P-C4' energy: -154.650 flat angles C4'-P-C4' energy: -134.401 flat angles P-C4'-P energy: -71.034 tors. eta vs tors. theta energy: -76.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -979.359956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.359956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.359956 (E_RNA) where: Base-Base interactions energy: -522.922 where: short stacking energy: -262.837 Base-Backbone interact. energy: 1.268 local terms energy: -457.706336 where: bonds (distance) C4'-P energy: -131.016 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -108.541 flat angles P-C4'-P energy: -66.002 tors. eta vs tors. theta energy: -10.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -797.923942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.923942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.923942 (E_RNA) where: Base-Base interactions energy: -365.573 where: short stacking energy: -204.920 Base-Backbone interact. energy: -0.929 local terms energy: -431.421764 where: bonds (distance) C4'-P energy: -127.624 bonds (distance) P-C4' energy: -128.483 flat angles C4'-P-C4' energy: -119.413 flat angles P-C4'-P energy: -73.547 tors. eta vs tors. theta energy: 17.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2911.228063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.228063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.228063 (E_RNA) where: Base-Base interactions energy: -1989.308 where: short stacking energy: -846.863 Base-Backbone interact. energy: -3.175 local terms energy: -918.745892 where: bonds (distance) C4'-P energy: -168.487 bonds (distance) P-C4' energy: -180.998 flat angles C4'-P-C4' energy: -189.602 flat angles P-C4'-P energy: -125.633 tors. eta vs tors. theta energy: -254.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2820.235168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.235168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.235168 (E_RNA) where: Base-Base interactions energy: -1914.781 where: short stacking energy: -828.968 Base-Backbone interact. energy: -4.008 local terms energy: -901.446963 where: bonds (distance) C4'-P energy: -167.135 bonds (distance) P-C4' energy: -175.209 flat angles C4'-P-C4' energy: -193.305 flat angles P-C4'-P energy: -117.102 tors. eta vs tors. theta energy: -248.695 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: 3, replica: 8 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2710.407288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.407288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.407288 (E_RNA) where: Base-Base interactions energy: -1828.900 where: short stacking energy: -804.088 Base-Backbone interact. energy: -1.202 local terms energy: -880.305806 where: bonds (distance) C4'-P energy: -151.325 bonds (distance) P-C4' energy: -170.851 flat angles C4'-P-C4' energy: -191.019 flat angles P-C4'-P energy: -120.503 tors. eta vs tors. theta energy: -246.607 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: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2536.206929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.206929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.206929 (E_RNA) where: Base-Base interactions energy: -1735.239 where: short stacking energy: -755.747 Base-Backbone interact. energy: -2.384 local terms energy: -798.584717 where: bonds (distance) C4'-P energy: -147.216 bonds (distance) P-C4' energy: -128.775 flat angles C4'-P-C4' energy: -169.688 flat angles P-C4'-P energy: -121.919 tors. eta vs tors. theta energy: -230.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2334.681282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.681282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.681282 (E_RNA) where: Base-Base interactions energy: -1570.774 where: short stacking energy: -668.739 Base-Backbone interact. energy: -0.875 local terms energy: -763.032625 where: bonds (distance) C4'-P energy: -149.108 bonds (distance) P-C4' energy: -151.891 flat angles C4'-P-C4' energy: -159.360 flat angles P-C4'-P energy: -101.231 tors. eta vs tors. theta energy: -201.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2200.163234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.163234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.163234 (E_RNA) where: Base-Base interactions energy: -1501.681 where: short stacking energy: -632.580 Base-Backbone interact. energy: -2.498 local terms energy: -695.984247 where: bonds (distance) C4'-P energy: -125.511 bonds (distance) P-C4' energy: -145.655 flat angles C4'-P-C4' energy: -152.476 flat angles P-C4'-P energy: -93.503 tors. eta vs tors. theta energy: -178.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1704.011928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.011928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.011928 (E_RNA) where: Base-Base interactions energy: -1054.363 where: short stacking energy: -451.113 Base-Backbone interact. energy: 1.434 local terms energy: -651.083149 where: bonds (distance) C4'-P energy: -150.674 bonds (distance) P-C4' energy: -137.397 flat angles C4'-P-C4' energy: -155.513 flat angles P-C4'-P energy: -106.452 tors. eta vs tors. theta energy: -101.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1513.217326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.217326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.217326 (E_RNA) where: Base-Base interactions energy: -920.154 where: short stacking energy: -418.940 Base-Backbone interact. energy: 0.797 local terms energy: -593.860922 where: bonds (distance) C4'-P energy: -150.243 bonds (distance) P-C4' energy: -134.895 flat angles C4'-P-C4' energy: -141.752 flat angles P-C4'-P energy: -77.442 tors. eta vs tors. theta energy: -89.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1058.329268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.329268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.329268 (E_RNA) where: Base-Base interactions energy: -562.520 where: short stacking energy: -281.362 Base-Backbone interact. energy: 1.334 local terms energy: -497.143045 where: bonds (distance) C4'-P energy: -147.957 bonds (distance) P-C4' energy: -140.241 flat angles C4'-P-C4' energy: -124.306 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -16.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -842.415191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.415191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.415191 (E_RNA) where: Base-Base interactions energy: -390.808 where: short stacking energy: -237.257 Base-Backbone interact. energy: 1.860 local terms energy: -453.467384 where: bonds (distance) C4'-P energy: -135.851 bonds (distance) P-C4' energy: -140.429 flat angles C4'-P-C4' energy: -119.873 flat angles P-C4'-P energy: -52.143 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2867.848024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.848024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.848024 (E_RNA) where: Base-Base interactions energy: -1972.885 where: short stacking energy: -836.878 Base-Backbone interact. energy: -9.214 local terms energy: -885.748364 where: bonds (distance) C4'-P energy: -170.738 bonds (distance) P-C4' energy: -151.647 flat angles C4'-P-C4' energy: -193.787 flat angles P-C4'-P energy: -122.212 tors. eta vs tors. theta energy: -247.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2826.696303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.696303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.696303 (E_RNA) where: Base-Base interactions energy: -1938.108 where: short stacking energy: -830.191 Base-Backbone interact. energy: -1.864 local terms energy: -886.724256 where: bonds (distance) C4'-P energy: -170.780 bonds (distance) P-C4' energy: -163.251 flat angles C4'-P-C4' energy: -184.270 flat angles P-C4'-P energy: -122.004 tors. eta vs tors. theta energy: -246.419 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: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2732.536261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.536261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.536261 (E_RNA) where: Base-Base interactions energy: -1828.757 where: short stacking energy: -812.268 Base-Backbone interact. energy: 1.244 local terms energy: -905.022832 where: bonds (distance) C4'-P energy: -155.407 bonds (distance) P-C4' energy: -182.473 flat angles C4'-P-C4' energy: -193.261 flat angles P-C4'-P energy: -122.665 tors. eta vs tors. theta energy: -251.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2511.811362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.811362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.811362 (E_RNA) where: Base-Base interactions energy: -1715.530 where: short stacking energy: -738.188 Base-Backbone interact. energy: -5.767 local terms energy: -790.515032 where: bonds (distance) C4'-P energy: -145.330 bonds (distance) P-C4' energy: -141.057 flat angles C4'-P-C4' energy: -173.000 flat angles P-C4'-P energy: -102.161 tors. eta vs tors. theta energy: -228.966 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: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2353.950013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.950013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.950013 (E_RNA) where: Base-Base interactions energy: -1600.121 where: short stacking energy: -692.240 Base-Backbone interact. energy: -1.359 local terms energy: -752.470186 where: bonds (distance) C4'-P energy: -147.845 bonds (distance) P-C4' energy: -140.992 flat angles C4'-P-C4' energy: -168.604 flat angles P-C4'-P energy: -99.888 tors. eta vs tors. theta energy: -195.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2255.342086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.342086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.342086 (E_RNA) where: Base-Base interactions energy: -1514.411 where: short stacking energy: -654.913 Base-Backbone interact. energy: -4.008 local terms energy: -736.923140 where: bonds (distance) C4'-P energy: -153.270 bonds (distance) P-C4' energy: -139.602 flat angles C4'-P-C4' energy: -166.360 flat angles P-C4'-P energy: -91.731 tors. eta vs tors. theta energy: -185.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1632.573726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.573726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.573726 (E_RNA) where: Base-Base interactions energy: -1007.505 where: short stacking energy: -458.337 Base-Backbone interact. energy: -0.236 local terms energy: -624.832980 where: bonds (distance) C4'-P energy: -150.144 bonds (distance) P-C4' energy: -128.621 flat angles C4'-P-C4' energy: -143.141 flat angles P-C4'-P energy: -106.117 tors. eta vs tors. theta energy: -96.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1567.579174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.579174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.579174 (E_RNA) where: Base-Base interactions energy: -975.605 where: short stacking energy: -414.719 Base-Backbone interact. energy: 2.947 local terms energy: -594.921444 where: bonds (distance) C4'-P energy: -135.298 bonds (distance) P-C4' energy: -134.292 flat angles C4'-P-C4' energy: -149.925 flat angles P-C4'-P energy: -90.865 tors. eta vs tors. theta energy: -84.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1046.414280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.414280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.414280 (E_RNA) where: Base-Base interactions energy: -555.665 where: short stacking energy: -266.791 Base-Backbone interact. energy: -1.608 local terms energy: -489.141121 where: bonds (distance) C4'-P energy: -136.370 bonds (distance) P-C4' energy: -134.142 flat angles C4'-P-C4' energy: -134.857 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -14.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -866.785853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.785853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.785853 (E_RNA) where: Base-Base interactions energy: -420.979 where: short stacking energy: -237.265 Base-Backbone interact. energy: 2.272 local terms energy: -448.079647 where: bonds (distance) C4'-P energy: -118.888 bonds (distance) P-C4' energy: -146.973 flat angles C4'-P-C4' energy: -127.176 flat angles P-C4'-P energy: -55.331 tors. eta vs tors. theta energy: 0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2871.632822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.632822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.632822 (E_RNA) where: Base-Base interactions energy: -1981.214 where: short stacking energy: -866.527 Base-Backbone interact. energy: -5.842 local terms energy: -884.576598 where: bonds (distance) C4'-P energy: -164.955 bonds (distance) P-C4' energy: -160.796 flat angles C4'-P-C4' energy: -191.306 flat angles P-C4'-P energy: -124.067 tors. eta vs tors. theta energy: -243.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2829.837486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.837486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.837486 (E_RNA) where: Base-Base interactions energy: -1965.658 where: short stacking energy: -825.858 Base-Backbone interact. energy: -1.814 local terms energy: -862.365632 where: bonds (distance) C4'-P energy: -143.785 bonds (distance) P-C4' energy: -162.768 flat angles C4'-P-C4' energy: -184.793 flat angles P-C4'-P energy: -131.679 tors. eta vs tors. theta energy: -239.341 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: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2683.526802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.526802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.526802 (E_RNA) where: Base-Base interactions energy: -1845.500 where: short stacking energy: -815.623 Base-Backbone interact. energy: -0.319 local terms energy: -837.708213 where: bonds (distance) C4'-P energy: -152.925 bonds (distance) P-C4' energy: -145.798 flat angles C4'-P-C4' energy: -187.495 flat angles P-C4'-P energy: -113.595 tors. eta vs tors. theta energy: -237.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2480.401354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.401354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.401354 (E_RNA) where: Base-Base interactions energy: -1657.351 where: short stacking energy: -715.631 Base-Backbone interact. energy: -5.537 local terms energy: -817.512899 where: bonds (distance) C4'-P energy: -140.960 bonds (distance) P-C4' energy: -150.392 flat angles C4'-P-C4' energy: -173.308 flat angles P-C4'-P energy: -126.325 tors. eta vs tors. theta energy: -226.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2306.999936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.999936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.999936 (E_RNA) where: Base-Base interactions energy: -1573.429 where: short stacking energy: -646.906 Base-Backbone interact. energy: -4.444 local terms energy: -729.126989 where: bonds (distance) C4'-P energy: -133.689 bonds (distance) P-C4' energy: -149.801 flat angles C4'-P-C4' energy: -171.336 flat angles P-C4'-P energy: -104.793 tors. eta vs tors. theta energy: -169.507 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: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2244.121624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.121624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.121624 (E_RNA) where: Base-Base interactions energy: -1535.914 where: short stacking energy: -657.714 Base-Backbone interact. energy: 0.191 local terms energy: -708.398725 where: bonds (distance) C4'-P energy: -143.797 bonds (distance) P-C4' energy: -127.154 flat angles C4'-P-C4' energy: -140.316 flat angles P-C4'-P energy: -97.114 tors. eta vs tors. theta energy: -200.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1723.437941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.437941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.437941 (E_RNA) where: Base-Base interactions energy: -1094.168 where: short stacking energy: -501.885 Base-Backbone interact. energy: -1.284 local terms energy: -627.986782 where: bonds (distance) C4'-P energy: -128.728 bonds (distance) P-C4' energy: -128.463 flat angles C4'-P-C4' energy: -157.973 flat angles P-C4'-P energy: -102.617 tors. eta vs tors. theta energy: -110.206 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: 413 Temperature: 1.250000 Total energy: -1567.517638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.517638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.517638 (E_RNA) where: Base-Base interactions energy: -985.426 where: short stacking energy: -403.862 Base-Backbone interact. energy: 1.274 local terms energy: -583.365417 where: bonds (distance) C4'-P energy: -149.038 bonds (distance) P-C4' energy: -140.518 flat angles C4'-P-C4' energy: -134.688 flat angles P-C4'-P energy: -94.679 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: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1138.320377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.320377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.320377 (E_RNA) where: Base-Base interactions energy: -626.346 where: short stacking energy: -314.214 Base-Backbone interact. energy: -2.117 local terms energy: -509.856881 where: bonds (distance) C4'-P energy: -141.375 bonds (distance) P-C4' energy: -144.669 flat angles C4'-P-C4' energy: -118.094 flat angles P-C4'-P energy: -77.101 tors. eta vs tors. theta energy: -28.617 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: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -847.706694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.706694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.706694 (E_RNA) where: Base-Base interactions energy: -415.073 where: short stacking energy: -228.674 Base-Backbone interact. energy: 3.696 local terms energy: -436.329614 where: bonds (distance) C4'-P energy: -125.092 bonds (distance) P-C4' energy: -140.362 flat angles C4'-P-C4' energy: -108.618 flat angles P-C4'-P energy: -56.653 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: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2872.108664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.108664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.108664 (E_RNA) where: Base-Base interactions energy: -1966.918 where: short stacking energy: -838.099 Base-Backbone interact. energy: -2.778 local terms energy: -902.412434 where: bonds (distance) C4'-P energy: -181.498 bonds (distance) P-C4' energy: -172.515 flat angles C4'-P-C4' energy: -183.520 flat angles P-C4'-P energy: -121.714 tors. eta vs tors. theta energy: -243.166 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: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2834.371171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.371171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.371171 (E_RNA) where: Base-Base interactions energy: -1952.291 where: short stacking energy: -859.308 Base-Backbone interact. energy: -2.810 local terms energy: -879.270213 where: bonds (distance) C4'-P energy: -167.714 bonds (distance) P-C4' energy: -174.063 flat angles C4'-P-C4' energy: -181.248 flat angles P-C4'-P energy: -106.571 tors. eta vs tors. theta energy: -249.674 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: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2702.544684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.544684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.544684 (E_RNA) where: Base-Base interactions energy: -1849.912 where: short stacking energy: -793.729 Base-Backbone interact. energy: -4.993 local terms energy: -847.639535 where: bonds (distance) C4'-P energy: -139.792 bonds (distance) P-C4' energy: -147.254 flat angles C4'-P-C4' energy: -190.188 flat angles P-C4'-P energy: -126.778 tors. eta vs tors. theta energy: -243.628 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: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2480.174846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.174846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.174846 (E_RNA) where: Base-Base interactions energy: -1659.628 where: short stacking energy: -709.622 Base-Backbone interact. energy: -2.759 local terms energy: -817.788537 where: bonds (distance) C4'-P energy: -152.936 bonds (distance) P-C4' energy: -161.822 flat angles C4'-P-C4' energy: -169.962 flat angles P-C4'-P energy: -114.092 tors. eta vs tors. theta energy: -218.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2319.197309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.197309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.197309 (E_RNA) where: Base-Base interactions energy: -1565.345 where: short stacking energy: -685.371 Base-Backbone interact. energy: -4.898 local terms energy: -748.954365 where: bonds (distance) C4'-P energy: -149.638 bonds (distance) P-C4' energy: -148.988 flat angles C4'-P-C4' energy: -153.297 flat angles P-C4'-P energy: -120.126 tors. eta vs tors. theta energy: -176.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2253.820070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.820070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.820070 (E_RNA) where: Base-Base interactions energy: -1502.225 where: short stacking energy: -657.195 Base-Backbone interact. energy: -1.044 local terms energy: -750.550708 where: bonds (distance) C4'-P energy: -126.165 bonds (distance) P-C4' energy: -153.540 flat angles C4'-P-C4' energy: -172.044 flat angles P-C4'-P energy: -103.271 tors. eta vs tors. theta energy: -195.530 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: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1730.787957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.787957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.787957 (E_RNA) where: Base-Base interactions energy: -1050.684 where: short stacking energy: -478.923 Base-Backbone interact. energy: -2.093 local terms energy: -678.010349 where: bonds (distance) C4'-P energy: -138.587 bonds (distance) P-C4' energy: -159.342 flat angles C4'-P-C4' energy: -159.139 flat angles P-C4'-P energy: -106.591 tors. eta vs tors. theta energy: -114.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1573.631905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.631905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.631905 (E_RNA) where: Base-Base interactions energy: -1009.485 where: short stacking energy: -442.446 Base-Backbone interact. energy: -0.105 local terms energy: -564.041811 where: bonds (distance) C4'-P energy: -135.033 bonds (distance) P-C4' energy: -113.906 flat angles C4'-P-C4' energy: -144.505 flat angles P-C4'-P energy: -84.923 tors. eta vs tors. theta energy: -85.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1085.594845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.594845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.594845 (E_RNA) where: Base-Base interactions energy: -598.048 where: short stacking energy: -294.936 Base-Backbone interact. energy: -1.160 local terms energy: -486.386670 where: bonds (distance) C4'-P energy: -137.218 bonds (distance) P-C4' energy: -130.748 flat angles C4'-P-C4' energy: -126.026 flat angles P-C4'-P energy: -70.685 tors. eta vs tors. theta energy: -21.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -829.667459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.667459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.667459 (E_RNA) where: Base-Base interactions energy: -368.113 where: short stacking energy: -220.016 Base-Backbone interact. energy: 1.781 local terms energy: -463.334812 where: bonds (distance) C4'-P energy: -135.868 bonds (distance) P-C4' energy: -133.463 flat angles C4'-P-C4' energy: -126.037 flat angles P-C4'-P energy: -67.335 tors. eta vs tors. theta energy: -0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2868.607182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.607182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.607182 (E_RNA) where: Base-Base interactions energy: -1973.120 where: short stacking energy: -816.839 Base-Backbone interact. energy: -2.389 local terms energy: -893.098521 where: bonds (distance) C4'-P energy: -160.278 bonds (distance) P-C4' energy: -163.498 flat angles C4'-P-C4' energy: -184.461 flat angles P-C4'-P energy: -126.702 tors. eta vs tors. theta energy: -258.160 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: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2824.302179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.302179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.302179 (E_RNA) where: Base-Base interactions energy: -1926.482 where: short stacking energy: -824.503 Base-Backbone interact. energy: -3.452 local terms energy: -894.367857 where: bonds (distance) C4'-P energy: -158.507 bonds (distance) P-C4' energy: -175.979 flat angles C4'-P-C4' energy: -178.360 flat angles P-C4'-P energy: -127.593 tors. eta vs tors. theta energy: -253.930 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: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2707.863674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.863674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.863674 (E_RNA) where: Base-Base interactions energy: -1853.190 where: short stacking energy: -813.726 Base-Backbone interact. energy: -3.371 local terms energy: -851.302952 where: bonds (distance) C4'-P energy: -138.902 bonds (distance) P-C4' energy: -160.853 flat angles C4'-P-C4' energy: -178.668 flat angles P-C4'-P energy: -129.788 tors. eta vs tors. theta energy: -243.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2465.603125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.603125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.603125 (E_RNA) where: Base-Base interactions energy: -1648.263 where: short stacking energy: -727.663 Base-Backbone interact. energy: -3.038 local terms energy: -814.301969 where: bonds (distance) C4'-P energy: -148.205 bonds (distance) P-C4' energy: -158.886 flat angles C4'-P-C4' energy: -185.060 flat angles P-C4'-P energy: -117.809 tors. eta vs tors. theta energy: -204.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2366.885974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.885974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.885974 (E_RNA) where: Base-Base interactions energy: -1614.086 where: short stacking energy: -664.877 Base-Backbone interact. energy: 2.962 local terms energy: -755.762657 where: bonds (distance) C4'-P energy: -147.298 bonds (distance) P-C4' energy: -150.864 flat angles C4'-P-C4' energy: -159.978 flat angles P-C4'-P energy: -115.482 tors. eta vs tors. theta energy: -182.141 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: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2212.657868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.657868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.657868 (E_RNA) where: Base-Base interactions energy: -1494.746 where: short stacking energy: -643.756 Base-Backbone interact. energy: -1.186 local terms energy: -716.726218 where: bonds (distance) C4'-P energy: -134.351 bonds (distance) P-C4' energy: -141.649 flat angles C4'-P-C4' energy: -149.327 flat angles P-C4'-P energy: -96.697 tors. eta vs tors. theta energy: -194.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1744.116536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.116536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.116536 (E_RNA) where: Base-Base interactions energy: -1121.644 where: short stacking energy: -522.127 Base-Backbone interact. energy: 2.863 local terms energy: -625.335114 where: bonds (distance) C4'-P energy: -114.789 bonds (distance) P-C4' energy: -131.895 flat angles C4'-P-C4' energy: -142.235 flat angles P-C4'-P energy: -116.026 tors. eta vs tors. theta energy: -120.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1544.758214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.758214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.758214 (E_RNA) where: Base-Base interactions energy: -979.298 where: short stacking energy: -436.902 Base-Backbone interact. energy: -0.859 local terms energy: -564.600343 where: bonds (distance) C4'-P energy: -124.692 bonds (distance) P-C4' energy: -137.181 flat angles C4'-P-C4' energy: -141.299 flat angles P-C4'-P energy: -79.268 tors. eta vs tors. theta energy: -82.160 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: 415 Temperature: 1.300000 Total energy: -1198.336288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.336288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.336288 (E_RNA) where: Base-Base interactions energy: -676.399 where: short stacking energy: -329.034 Base-Backbone interact. energy: 3.440 local terms energy: -525.377134 where: bonds (distance) C4'-P energy: -107.341 bonds (distance) P-C4' energy: -156.920 flat angles C4'-P-C4' energy: -119.461 flat angles P-C4'-P energy: -98.709 tors. eta vs tors. theta energy: -42.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -799.725225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.725225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.725225 (E_RNA) where: Base-Base interactions energy: -384.728 where: short stacking energy: -239.147 Base-Backbone interact. energy: 7.363 local terms energy: -422.360766 where: bonds (distance) C4'-P energy: -132.804 bonds (distance) P-C4' energy: -135.164 flat angles C4'-P-C4' energy: -118.936 flat angles P-C4'-P energy: -47.253 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: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2903.166840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.166840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.166840 (E_RNA) where: Base-Base interactions energy: -2017.090 where: short stacking energy: -828.044 Base-Backbone interact. energy: -1.889 local terms energy: -884.188266 where: bonds (distance) C4'-P energy: -181.058 bonds (distance) P-C4' energy: -171.375 flat angles C4'-P-C4' energy: -184.277 flat angles P-C4'-P energy: -110.922 tors. eta vs tors. theta energy: -236.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2848.917082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.917082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.917082 (E_RNA) where: Base-Base interactions energy: -1973.150 where: short stacking energy: -867.082 Base-Backbone interact. energy: -1.748 local terms energy: -874.019486 where: bonds (distance) C4'-P energy: -152.917 bonds (distance) P-C4' energy: -154.202 flat angles C4'-P-C4' energy: -181.124 flat angles P-C4'-P energy: -119.260 tors. eta vs tors. theta energy: -266.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2695.726724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.726724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.726724 (E_RNA) where: Base-Base interactions energy: -1879.374 where: short stacking energy: -839.789 Base-Backbone interact. energy: -1.759 local terms energy: -814.594499 where: bonds (distance) C4'-P energy: -126.647 bonds (distance) P-C4' energy: -153.619 flat angles C4'-P-C4' energy: -180.659 flat angles P-C4'-P energy: -107.872 tors. eta vs tors. theta energy: -245.798 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: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2403.186998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.186998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.186998 (E_RNA) where: Base-Base interactions energy: -1617.735 where: short stacking energy: -689.275 Base-Backbone interact. energy: -1.068 local terms energy: -784.383006 where: bonds (distance) C4'-P energy: -139.873 bonds (distance) P-C4' energy: -153.630 flat angles C4'-P-C4' energy: -173.671 flat angles P-C4'-P energy: -112.187 tors. eta vs tors. theta energy: -205.021 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: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2352.102006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.102006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.102006 (E_RNA) where: Base-Base interactions energy: -1599.217 where: short stacking energy: -648.526 Base-Backbone interact. energy: -2.959 local terms energy: -749.925889 where: bonds (distance) C4'-P energy: -138.409 bonds (distance) P-C4' energy: -151.804 flat angles C4'-P-C4' energy: -172.974 flat angles P-C4'-P energy: -111.440 tors. eta vs tors. theta energy: -175.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2245.678005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.678005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.678005 (E_RNA) where: Base-Base interactions energy: -1511.639 where: short stacking energy: -632.294 Base-Backbone interact. energy: -2.607 local terms energy: -731.431520 where: bonds (distance) C4'-P energy: -142.634 bonds (distance) P-C4' energy: -138.473 flat angles C4'-P-C4' energy: -167.014 flat angles P-C4'-P energy: -101.272 tors. eta vs tors. theta energy: -182.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1762.037599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.037599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.037599 (E_RNA) where: Base-Base interactions energy: -1113.165 where: short stacking energy: -505.226 Base-Backbone interact. energy: 0.663 local terms energy: -649.535730 where: bonds (distance) C4'-P energy: -135.740 bonds (distance) P-C4' energy: -147.259 flat angles C4'-P-C4' energy: -158.893 flat angles P-C4'-P energy: -89.372 tors. eta vs tors. theta energy: -118.271 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: 8, replica: 7 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1598.501567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.501567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.501567 (E_RNA) where: Base-Base interactions energy: -1003.782 where: short stacking energy: -448.746 Base-Backbone interact. energy: 0.610 local terms energy: -595.329443 where: bonds (distance) C4'-P energy: -124.341 bonds (distance) P-C4' energy: -136.091 flat angles C4'-P-C4' energy: -139.748 flat angles P-C4'-P energy: -95.608 tors. eta vs tors. theta energy: -99.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1220.513615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.513615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.513615 (E_RNA) where: Base-Base interactions energy: -701.260 where: short stacking energy: -330.259 Base-Backbone interact. energy: 1.103 local terms energy: -520.355971 where: bonds (distance) C4'-P energy: -117.341 bonds (distance) P-C4' energy: -153.924 flat angles C4'-P-C4' energy: -133.917 flat angles P-C4'-P energy: -82.830 tors. eta vs tors. theta energy: -32.344 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: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -767.445494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.445494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.445494 (E_RNA) where: Base-Base interactions energy: -340.076 where: short stacking energy: -221.606 Base-Backbone interact. energy: 1.442 local terms energy: -428.812232 where: bonds (distance) C4'-P energy: -132.084 bonds (distance) P-C4' energy: -141.781 flat angles C4'-P-C4' energy: -88.901 flat angles P-C4'-P energy: -79.589 tors. eta vs tors. theta energy: 13.542 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: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2867.530726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.530726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.530726 (E_RNA) where: Base-Base interactions energy: -1968.252 where: short stacking energy: -838.504 Base-Backbone interact. energy: -3.328 local terms energy: -895.950922 where: bonds (distance) C4'-P energy: -161.390 bonds (distance) P-C4' energy: -171.085 flat angles C4'-P-C4' energy: -189.210 flat angles P-C4'-P energy: -137.116 tors. eta vs tors. theta energy: -237.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2833.965628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.965628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.965628 (E_RNA) where: Base-Base interactions energy: -1938.619 where: short stacking energy: -830.932 Base-Backbone interact. energy: 0.880 local terms energy: -896.225923 where: bonds (distance) C4'-P energy: -143.499 bonds (distance) P-C4' energy: -166.393 flat angles C4'-P-C4' energy: -191.569 flat angles P-C4'-P energy: -140.223 tors. eta vs tors. theta energy: -254.542 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: 417 Temperature: 1.000000 Total energy: -2733.840586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.840586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.840586 (E_RNA) where: Base-Base interactions energy: -1853.721 where: short stacking energy: -786.091 Base-Backbone interact. energy: -3.233 local terms energy: -876.887076 where: bonds (distance) C4'-P energy: -155.797 bonds (distance) P-C4' energy: -159.921 flat angles C4'-P-C4' energy: -202.332 flat angles P-C4'-P energy: -119.167 tors. eta vs tors. theta energy: -239.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2470.334303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.334303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.334303 (E_RNA) where: Base-Base interactions energy: -1653.664 where: short stacking energy: -712.909 Base-Backbone interact. energy: -4.055 local terms energy: -812.615182 where: bonds (distance) C4'-P energy: -152.995 bonds (distance) P-C4' energy: -173.088 flat angles C4'-P-C4' energy: -169.017 flat angles P-C4'-P energy: -101.271 tors. eta vs tors. theta energy: -216.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2387.710162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.710162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.710162 (E_RNA) where: Base-Base interactions energy: -1623.148 where: short stacking energy: -667.147 Base-Backbone interact. energy: -3.226 local terms energy: -761.336894 where: bonds (distance) C4'-P energy: -147.301 bonds (distance) P-C4' energy: -159.665 flat angles C4'-P-C4' energy: -167.607 flat angles P-C4'-P energy: -99.609 tors. eta vs tors. theta energy: -187.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2208.363674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.363674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.363674 (E_RNA) where: Base-Base interactions energy: -1469.666 where: short stacking energy: -655.469 Base-Backbone interact. energy: -1.482 local terms energy: -737.215508 where: bonds (distance) C4'-P energy: -124.044 bonds (distance) P-C4' energy: -143.729 flat angles C4'-P-C4' energy: -175.158 flat angles P-C4'-P energy: -110.232 tors. eta vs tors. theta energy: -184.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1786.008001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.008001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.008001 (E_RNA) where: Base-Base interactions energy: -1105.794 where: short stacking energy: -483.676 Base-Backbone interact. energy: -1.821 local terms energy: -678.392953 where: bonds (distance) C4'-P energy: -136.399 bonds (distance) P-C4' energy: -164.107 flat angles C4'-P-C4' energy: -162.668 flat angles P-C4'-P energy: -93.291 tors. eta vs tors. theta energy: -121.928 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: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1544.105682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.105682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.105682 (E_RNA) where: Base-Base interactions energy: -948.743 where: short stacking energy: -402.054 Base-Backbone interact. energy: 0.532 local terms energy: -595.894674 where: bonds (distance) C4'-P energy: -153.202 bonds (distance) P-C4' energy: -152.320 flat angles C4'-P-C4' energy: -132.018 flat angles P-C4'-P energy: -88.186 tors. eta vs tors. theta energy: -70.169 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: 417 Temperature: 1.300000 Total energy: -1194.604059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.604059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.604059 (E_RNA) where: Base-Base interactions energy: -702.517 where: short stacking energy: -330.760 Base-Backbone interact. energy: 2.450 local terms energy: -494.537702 where: bonds (distance) C4'-P energy: -125.074 bonds (distance) P-C4' energy: -143.328 flat angles C4'-P-C4' energy: -110.661 flat angles P-C4'-P energy: -68.409 tors. eta vs tors. theta energy: -47.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -834.209192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.209192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.209192 (E_RNA) where: Base-Base interactions energy: -379.299 where: short stacking energy: -233.951 Base-Backbone interact. energy: -0.597 local terms energy: -454.312862 where: bonds (distance) C4'-P energy: -122.529 bonds (distance) P-C4' energy: -137.147 flat angles C4'-P-C4' energy: -120.671 flat angles P-C4'-P energy: -70.405 tors. eta vs tors. theta energy: -3.560 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: 1, replica: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2878.987668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.987668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.987668 (E_RNA) where: Base-Base interactions energy: -1985.429 where: short stacking energy: -830.182 Base-Backbone interact. energy: -1.674 local terms energy: -891.884415 where: bonds (distance) C4'-P energy: -173.804 bonds (distance) P-C4' energy: -163.763 flat angles C4'-P-C4' energy: -180.442 flat angles P-C4'-P energy: -133.044 tors. eta vs tors. theta energy: -240.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2846.380008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.380008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.380008 (E_RNA) where: Base-Base interactions energy: -1962.395 where: short stacking energy: -808.588 Base-Backbone interact. energy: -2.940 local terms energy: -881.044611 where: bonds (distance) C4'-P energy: -150.867 bonds (distance) P-C4' energy: -168.993 flat angles C4'-P-C4' energy: -189.085 flat angles P-C4'-P energy: -130.421 tors. eta vs tors. theta energy: -241.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2697.864456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.864456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.864456 (E_RNA) where: Base-Base interactions energy: -1837.452 where: short stacking energy: -772.767 Base-Backbone interact. energy: -3.270 local terms energy: -857.142062 where: bonds (distance) C4'-P energy: -151.673 bonds (distance) P-C4' energy: -154.268 flat angles C4'-P-C4' energy: -181.952 flat angles P-C4'-P energy: -125.415 tors. eta vs tors. theta energy: -243.833 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: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2537.819883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.819883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.819883 (E_RNA) where: Base-Base interactions energy: -1692.316 where: short stacking energy: -722.616 Base-Backbone interact. energy: -1.791 local terms energy: -843.712743 where: bonds (distance) C4'-P energy: -143.133 bonds (distance) P-C4' energy: -181.818 flat angles C4'-P-C4' energy: -182.645 flat angles P-C4'-P energy: -124.719 tors. eta vs tors. theta energy: -211.398 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: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2397.080706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.080706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.080706 (E_RNA) where: Base-Base interactions energy: -1611.190 where: short stacking energy: -712.439 Base-Backbone interact. energy: 1.062 local terms energy: -786.953013 where: bonds (distance) C4'-P energy: -162.536 bonds (distance) P-C4' energy: -156.638 flat angles C4'-P-C4' energy: -169.929 flat angles P-C4'-P energy: -93.082 tors. eta vs tors. theta energy: -204.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2121.941640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.941640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.941640 (E_RNA) where: Base-Base interactions energy: -1423.356 where: short stacking energy: -629.899 Base-Backbone interact. energy: 4.275 local terms energy: -702.860422 where: bonds (distance) C4'-P energy: -130.873 bonds (distance) P-C4' energy: -146.696 flat angles C4'-P-C4' energy: -161.360 flat angles P-C4'-P energy: -87.024 tors. eta vs tors. theta energy: -176.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1773.860361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.860361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.860361 (E_RNA) where: Base-Base interactions energy: -1182.956 where: short stacking energy: -501.987 Base-Backbone interact. energy: -3.399 local terms energy: -587.505108 where: bonds (distance) C4'-P energy: -115.410 bonds (distance) P-C4' energy: -120.859 flat angles C4'-P-C4' energy: -153.113 flat angles P-C4'-P energy: -96.409 tors. eta vs tors. theta energy: -101.714 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: 8, replica: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1621.142442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.142442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.142442 (E_RNA) where: Base-Base interactions energy: -1026.712 where: short stacking energy: -454.010 Base-Backbone interact. energy: 1.644 local terms energy: -596.074945 where: bonds (distance) C4'-P energy: -134.136 bonds (distance) P-C4' energy: -132.410 flat angles C4'-P-C4' energy: -151.008 flat angles P-C4'-P energy: -87.512 tors. eta vs tors. theta energy: -91.009 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: 418 Temperature: 1.300000 Total energy: -1168.161457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.161457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.161457 (E_RNA) where: Base-Base interactions energy: -649.491 where: short stacking energy: -294.815 Base-Backbone interact. energy: 0.468 local terms energy: -519.138365 where: bonds (distance) C4'-P energy: -136.280 bonds (distance) P-C4' energy: -144.896 flat angles C4'-P-C4' energy: -146.497 flat angles P-C4'-P energy: -83.045 tors. eta vs tors. theta energy: -8.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -838.723593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.723593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.723593 (E_RNA) where: Base-Base interactions energy: -389.848 where: short stacking energy: -241.289 Base-Backbone interact. energy: -1.549 local terms energy: -447.326305 where: bonds (distance) C4'-P energy: -112.355 bonds (distance) P-C4' energy: -143.541 flat angles C4'-P-C4' energy: -120.222 flat angles P-C4'-P energy: -72.879 tors. eta vs tors. theta energy: 1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2867.792708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.792708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.792708 (E_RNA) where: Base-Base interactions energy: -1962.319 where: short stacking energy: -820.925 Base-Backbone interact. energy: -4.593 local terms energy: -900.880765 where: bonds (distance) C4'-P energy: -169.566 bonds (distance) P-C4' energy: -171.494 flat angles C4'-P-C4' energy: -182.522 flat angles P-C4'-P energy: -129.613 tors. eta vs tors. theta energy: -247.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2804.469524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.469524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.469524 (E_RNA) where: Base-Base interactions energy: -1918.986 where: short stacking energy: -827.073 Base-Backbone interact. energy: -1.856 local terms energy: -883.627825 where: bonds (distance) C4'-P energy: -147.303 bonds (distance) P-C4' energy: -154.074 flat angles C4'-P-C4' energy: -191.060 flat angles P-C4'-P energy: -139.561 tors. eta vs tors. theta energy: -251.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2721.638750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.638750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.638750 (E_RNA) where: Base-Base interactions energy: -1846.574 where: short stacking energy: -805.868 Base-Backbone interact. energy: -1.615 local terms energy: -873.449519 where: bonds (distance) C4'-P energy: -150.127 bonds (distance) P-C4' energy: -161.733 flat angles C4'-P-C4' energy: -181.249 flat angles P-C4'-P energy: -131.200 tors. eta vs tors. theta energy: -249.140 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: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2472.566889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.566889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.566889 (E_RNA) where: Base-Base interactions energy: -1692.561 where: short stacking energy: -754.942 Base-Backbone interact. energy: 0.978 local terms energy: -780.984249 where: bonds (distance) C4'-P energy: -145.872 bonds (distance) P-C4' energy: -135.301 flat angles C4'-P-C4' energy: -161.659 flat angles P-C4'-P energy: -109.063 tors. eta vs tors. theta energy: -229.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2423.483702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.483702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.483702 (E_RNA) where: Base-Base interactions energy: -1666.186 where: short stacking energy: -680.311 Base-Backbone interact. energy: -4.540 local terms energy: -752.757609 where: bonds (distance) C4'-P energy: -137.119 bonds (distance) P-C4' energy: -135.925 flat angles C4'-P-C4' energy: -168.679 flat angles P-C4'-P energy: -96.746 tors. eta vs tors. theta energy: -214.288 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: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2136.671268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.671268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.671268 (E_RNA) where: Base-Base interactions energy: -1447.753 where: short stacking energy: -635.807 Base-Backbone interact. energy: -2.478 local terms energy: -686.439792 where: bonds (distance) C4'-P energy: -120.074 bonds (distance) P-C4' energy: -144.680 flat angles C4'-P-C4' energy: -152.447 flat angles P-C4'-P energy: -91.307 tors. eta vs tors. theta energy: -177.932 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: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1822.403139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.403139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.403139 (E_RNA) where: Base-Base interactions energy: -1146.828 where: short stacking energy: -507.339 Base-Backbone interact. energy: -0.553 local terms energy: -675.021612 where: bonds (distance) C4'-P energy: -147.853 bonds (distance) P-C4' energy: -162.559 flat angles C4'-P-C4' energy: -151.389 flat angles P-C4'-P energy: -82.618 tors. eta vs tors. theta energy: -130.604 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: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1615.669147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.669147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.669147 (E_RNA) where: Base-Base interactions energy: -1036.373 where: short stacking energy: -474.799 Base-Backbone interact. energy: -4.123 local terms energy: -575.173222 where: bonds (distance) C4'-P energy: -115.736 bonds (distance) P-C4' energy: -140.919 flat angles C4'-P-C4' energy: -137.694 flat angles P-C4'-P energy: -94.204 tors. eta vs tors. theta energy: -86.620 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: 419 Temperature: 1.300000 Total energy: -1117.610385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.610385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.610385 (E_RNA) where: Base-Base interactions energy: -623.723 where: short stacking energy: -311.954 Base-Backbone interact. energy: -2.197 local terms energy: -491.689548 where: bonds (distance) C4'-P energy: -117.705 bonds (distance) P-C4' energy: -140.632 flat angles C4'-P-C4' energy: -122.011 flat angles P-C4'-P energy: -82.306 tors. eta vs tors. theta energy: -29.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -868.804325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.804325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.804325 (E_RNA) where: Base-Base interactions energy: -417.937 where: short stacking energy: -258.218 Base-Backbone interact. energy: 8.680 local terms energy: -459.547068 where: bonds (distance) C4'-P energy: -145.562 bonds (distance) P-C4' energy: -140.610 flat angles C4'-P-C4' energy: -115.640 flat angles P-C4'-P energy: -67.738 tors. eta vs tors. theta energy: 10.003 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: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2942.083024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.083024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.083024 (E_RNA) where: Base-Base interactions energy: -1997.093 where: short stacking energy: -874.155 Base-Backbone interact. energy: -2.440 local terms energy: -942.550095 where: bonds (distance) C4'-P energy: -159.066 bonds (distance) P-C4' energy: -177.481 flat angles C4'-P-C4' energy: -192.600 flat angles P-C4'-P energy: -140.299 tors. eta vs tors. theta energy: -273.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2853.426767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.426767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.426767 (E_RNA) where: Base-Base interactions energy: -1948.033 where: short stacking energy: -776.864 Base-Backbone interact. energy: -2.461 local terms energy: -902.933039 where: bonds (distance) C4'-P energy: -173.761 bonds (distance) P-C4' energy: -174.198 flat angles C4'-P-C4' energy: -186.084 flat angles P-C4'-P energy: -132.259 tors. eta vs tors. theta energy: -236.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2689.630307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.630307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.630307 (E_RNA) where: Base-Base interactions energy: -1844.957 where: short stacking energy: -812.817 Base-Backbone interact. energy: -5.281 local terms energy: -839.392360 where: bonds (distance) C4'-P energy: -137.505 bonds (distance) P-C4' energy: -159.672 flat angles C4'-P-C4' energy: -174.847 flat angles P-C4'-P energy: -117.836 tors. eta vs tors. theta energy: -249.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2500.579572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.579572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.579572 (E_RNA) where: Base-Base interactions energy: -1687.862 where: short stacking energy: -723.767 Base-Backbone interact. energy: -1.644 local terms energy: -811.074060 where: bonds (distance) C4'-P energy: -149.619 bonds (distance) P-C4' energy: -165.773 flat angles C4'-P-C4' energy: -170.784 flat angles P-C4'-P energy: -104.435 tors. eta vs tors. theta energy: -220.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2398.661606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.661606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.661606 (E_RNA) where: Base-Base interactions energy: -1639.698 where: short stacking energy: -688.432 Base-Backbone interact. energy: -3.488 local terms energy: -755.475188 where: bonds (distance) C4'-P energy: -138.417 bonds (distance) P-C4' energy: -151.191 flat angles C4'-P-C4' energy: -176.565 flat angles P-C4'-P energy: -108.319 tors. eta vs tors. theta energy: -180.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2162.562690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.562690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.562690 (E_RNA) where: Base-Base interactions energy: -1429.955 where: short stacking energy: -628.562 Base-Backbone interact. energy: -4.257 local terms energy: -728.350335 where: bonds (distance) C4'-P energy: -147.367 bonds (distance) P-C4' energy: -144.636 flat angles C4'-P-C4' energy: -161.654 flat angles P-C4'-P energy: -110.493 tors. eta vs tors. theta energy: -164.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1844.971005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.971005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.971005 (E_RNA) where: Base-Base interactions energy: -1154.394 where: short stacking energy: -512.209 Base-Backbone interact. energy: -4.562 local terms energy: -686.015668 where: bonds (distance) C4'-P energy: -157.540 bonds (distance) P-C4' energy: -151.975 flat angles C4'-P-C4' energy: -132.903 flat angles P-C4'-P energy: -101.522 tors. eta vs tors. theta energy: -142.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1643.379815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.379815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.379815 (E_RNA) where: Base-Base interactions energy: -1067.965 where: short stacking energy: -478.942 Base-Backbone interact. energy: 1.623 local terms energy: -577.037118 where: bonds (distance) C4'-P energy: -132.669 bonds (distance) P-C4' energy: -124.060 flat angles C4'-P-C4' energy: -138.897 flat angles P-C4'-P energy: -82.309 tors. eta vs tors. theta energy: -99.101 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: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1060.013284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.013284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.013284 (E_RNA) where: Base-Base interactions energy: -579.894 where: short stacking energy: -290.556 Base-Backbone interact. energy: 2.093 local terms energy: -482.212153 where: bonds (distance) C4'-P energy: -136.669 bonds (distance) P-C4' energy: -125.321 flat angles C4'-P-C4' energy: -127.791 flat angles P-C4'-P energy: -74.492 tors. eta vs tors. theta energy: -17.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -805.894388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.894388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.894388 (E_RNA) where: Base-Base interactions energy: -360.577 where: short stacking energy: -227.098 Base-Backbone interact. energy: 0.534 local terms energy: -445.851616 where: bonds (distance) C4'-P energy: -127.053 bonds (distance) P-C4' energy: -139.745 flat angles C4'-P-C4' energy: -131.811 flat angles P-C4'-P energy: -60.219 tors. eta vs tors. theta energy: 12.976 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: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2890.134660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.134660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.134660 (E_RNA) where: Base-Base interactions energy: -2000.845 where: short stacking energy: -881.915 Base-Backbone interact. energy: -4.001 local terms energy: -885.289016 where: bonds (distance) C4'-P energy: -147.779 bonds (distance) P-C4' energy: -161.831 flat angles C4'-P-C4' energy: -183.051 flat angles P-C4'-P energy: -134.224 tors. eta vs tors. theta energy: -258.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2772.681275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.681275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.681275 (E_RNA) where: Base-Base interactions energy: -1892.608 where: short stacking energy: -784.914 Base-Backbone interact. energy: -6.030 local terms energy: -874.042574 where: bonds (distance) C4'-P energy: -154.131 bonds (distance) P-C4' energy: -170.068 flat angles C4'-P-C4' energy: -180.943 flat angles P-C4'-P energy: -131.802 tors. eta vs tors. theta energy: -237.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2706.764995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.764995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.764995 (E_RNA) where: Base-Base interactions energy: -1837.793 where: short stacking energy: -778.794 Base-Backbone interact. energy: 0.637 local terms energy: -869.608645 where: bonds (distance) C4'-P energy: -160.954 bonds (distance) P-C4' energy: -162.238 flat angles C4'-P-C4' energy: -189.577 flat angles P-C4'-P energy: -113.229 tors. eta vs tors. theta energy: -243.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2470.173550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.173550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.173550 (E_RNA) where: Base-Base interactions energy: -1659.850 where: short stacking energy: -725.532 Base-Backbone interact. energy: -2.008 local terms energy: -808.315591 where: bonds (distance) C4'-P energy: -163.222 bonds (distance) P-C4' energy: -129.238 flat angles C4'-P-C4' energy: -173.877 flat angles P-C4'-P energy: -125.777 tors. eta vs tors. theta energy: -216.202 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: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2431.969618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.969618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.969618 (E_RNA) where: Base-Base interactions energy: -1681.548 where: short stacking energy: -701.156 Base-Backbone interact. energy: -2.047 local terms energy: -748.375025 where: bonds (distance) C4'-P energy: -131.015 bonds (distance) P-C4' energy: -163.278 flat angles C4'-P-C4' energy: -170.329 flat angles P-C4'-P energy: -82.334 tors. eta vs tors. theta energy: -201.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2111.915095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.915095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.915095 (E_RNA) where: Base-Base interactions energy: -1373.659 where: short stacking energy: -597.823 Base-Backbone interact. energy: -4.060 local terms energy: -734.195682 where: bonds (distance) C4'-P energy: -151.088 bonds (distance) P-C4' energy: -152.868 flat angles C4'-P-C4' energy: -148.409 flat angles P-C4'-P energy: -114.775 tors. eta vs tors. theta energy: -167.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1839.104810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.104810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.104810 (E_RNA) where: Base-Base interactions energy: -1174.692 where: short stacking energy: -527.404 Base-Backbone interact. energy: -1.694 local terms energy: -662.718989 where: bonds (distance) C4'-P energy: -134.128 bonds (distance) P-C4' energy: -138.599 flat angles C4'-P-C4' energy: -164.432 flat angles P-C4'-P energy: -97.478 tors. eta vs tors. theta energy: -128.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1658.279743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.279743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.279743 (E_RNA) where: Base-Base interactions energy: -1051.771 where: short stacking energy: -495.380 Base-Backbone interact. energy: -1.700 local terms energy: -604.808684 where: bonds (distance) C4'-P energy: -117.856 bonds (distance) P-C4' energy: -119.927 flat angles C4'-P-C4' energy: -150.515 flat angles P-C4'-P energy: -99.354 tors. eta vs tors. theta energy: -117.156 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: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1111.707361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.707361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.707361 (E_RNA) where: Base-Base interactions energy: -611.954 where: short stacking energy: -292.321 Base-Backbone interact. energy: 11.673 local terms energy: -511.426507 where: bonds (distance) C4'-P energy: -124.804 bonds (distance) P-C4' energy: -142.749 flat angles C4'-P-C4' energy: -135.184 flat angles P-C4'-P energy: -89.487 tors. eta vs tors. theta energy: -19.203 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: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -834.907130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.907130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.907130 (E_RNA) where: Base-Base interactions energy: -410.150 where: short stacking energy: -205.424 Base-Backbone interact. energy: -2.137 local terms energy: -422.619742 where: bonds (distance) C4'-P energy: -122.595 bonds (distance) P-C4' energy: -148.660 flat angles C4'-P-C4' energy: -118.736 flat angles P-C4'-P energy: -53.316 tors. eta vs tors. theta energy: 20.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2906.386352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.386352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.386352 (E_RNA) where: Base-Base interactions energy: -2012.334 where: short stacking energy: -844.452 Base-Backbone interact. energy: -2.207 local terms energy: -891.845250 where: bonds (distance) C4'-P energy: -156.649 bonds (distance) P-C4' energy: -153.089 flat angles C4'-P-C4' energy: -186.619 flat angles P-C4'-P energy: -133.338 tors. eta vs tors. theta energy: -262.150 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: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2813.576535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.576535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.576535 (E_RNA) where: Base-Base interactions energy: -1934.848 where: short stacking energy: -812.314 Base-Backbone interact. energy: -2.612 local terms energy: -876.116190 where: bonds (distance) C4'-P energy: -160.670 bonds (distance) P-C4' energy: -162.445 flat angles C4'-P-C4' energy: -173.383 flat angles P-C4'-P energy: -124.600 tors. eta vs tors. theta energy: -255.018 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: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2680.824746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.824746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.824746 (E_RNA) where: Base-Base interactions energy: -1827.762 where: short stacking energy: -808.944 Base-Backbone interact. energy: -1.607 local terms energy: -851.455836 where: bonds (distance) C4'-P energy: -150.910 bonds (distance) P-C4' energy: -163.412 flat angles C4'-P-C4' energy: -188.005 flat angles P-C4'-P energy: -110.972 tors. eta vs tors. theta energy: -238.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2499.359040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.359040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.359040 (E_RNA) where: Base-Base interactions energy: -1654.096 where: short stacking energy: -731.273 Base-Backbone interact. energy: -2.952 local terms energy: -842.310249 where: bonds (distance) C4'-P energy: -159.684 bonds (distance) P-C4' energy: -162.386 flat angles C4'-P-C4' energy: -177.841 flat angles P-C4'-P energy: -118.940 tors. eta vs tors. theta energy: -223.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2389.685163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.685163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.685163 (E_RNA) where: Base-Base interactions energy: -1660.433 where: short stacking energy: -691.794 Base-Backbone interact. energy: -2.580 local terms energy: -726.672719 where: bonds (distance) C4'-P energy: -147.427 bonds (distance) P-C4' energy: -150.018 flat angles C4'-P-C4' energy: -154.264 flat angles P-C4'-P energy: -105.722 tors. eta vs tors. theta energy: -169.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2174.651843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.651843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.651843 (E_RNA) where: Base-Base interactions energy: -1460.366 where: short stacking energy: -622.637 Base-Backbone interact. energy: 3.477 local terms energy: -717.763185 where: bonds (distance) C4'-P energy: -128.308 bonds (distance) P-C4' energy: -147.276 flat angles C4'-P-C4' energy: -161.196 flat angles P-C4'-P energy: -114.979 tors. eta vs tors. theta energy: -166.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1787.919749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.919749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.919749 (E_RNA) where: Base-Base interactions energy: -1146.284 where: short stacking energy: -490.249 Base-Backbone interact. energy: -0.465 local terms energy: -641.170649 where: bonds (distance) C4'-P energy: -134.189 bonds (distance) P-C4' energy: -146.292 flat angles C4'-P-C4' energy: -151.900 flat angles P-C4'-P energy: -89.558 tors. eta vs tors. theta energy: -119.232 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: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1674.600094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.600094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.600094 (E_RNA) where: Base-Base interactions energy: -1045.721 where: short stacking energy: -484.990 Base-Backbone interact. energy: -1.973 local terms energy: -626.906443 where: bonds (distance) C4'-P energy: -130.307 bonds (distance) P-C4' energy: -149.122 flat angles C4'-P-C4' energy: -139.205 flat angles P-C4'-P energy: -96.106 tors. eta vs tors. theta energy: -112.166 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: 422 Temperature: 1.300000 Total energy: -1099.329710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.329710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.329710 (E_RNA) where: Base-Base interactions energy: -590.705 where: short stacking energy: -296.279 Base-Backbone interact. energy: -2.396 local terms energy: -506.229084 where: bonds (distance) C4'-P energy: -140.340 bonds (distance) P-C4' energy: -119.564 flat angles C4'-P-C4' energy: -139.122 flat angles P-C4'-P energy: -78.366 tors. eta vs tors. theta energy: -28.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -845.905468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.905468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.905468 (E_RNA) where: Base-Base interactions energy: -418.788 where: short stacking energy: -236.850 Base-Backbone interact. energy: 4.853 local terms energy: -431.970584 where: bonds (distance) C4'-P energy: -94.896 bonds (distance) P-C4' energy: -147.027 flat angles C4'-P-C4' energy: -112.809 flat angles P-C4'-P energy: -88.754 tors. eta vs tors. theta energy: 11.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2921.023882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.023882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.023882 (E_RNA) where: Base-Base interactions energy: -2008.256 where: short stacking energy: -852.797 Base-Backbone interact. energy: -3.556 local terms energy: -909.212245 where: bonds (distance) C4'-P energy: -163.060 bonds (distance) P-C4' energy: -174.307 flat angles C4'-P-C4' energy: -194.262 flat angles P-C4'-P energy: -108.616 tors. eta vs tors. theta energy: -268.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2811.533185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.533185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.533185 (E_RNA) where: Base-Base interactions energy: -1935.685 where: short stacking energy: -807.789 Base-Backbone interact. energy: -2.980 local terms energy: -872.868145 where: bonds (distance) C4'-P energy: -164.613 bonds (distance) P-C4' energy: -149.376 flat angles C4'-P-C4' energy: -190.681 flat angles P-C4'-P energy: -115.792 tors. eta vs tors. theta energy: -252.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2655.215785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.215785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.215785 (E_RNA) where: Base-Base interactions energy: -1808.250 where: short stacking energy: -791.145 Base-Backbone interact. energy: -2.136 local terms energy: -844.830470 where: bonds (distance) C4'-P energy: -163.661 bonds (distance) P-C4' energy: -160.199 flat angles C4'-P-C4' energy: -166.399 flat angles P-C4'-P energy: -115.498 tors. eta vs tors. theta energy: -239.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2452.676483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.676483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.676483 (E_RNA) where: Base-Base interactions energy: -1665.757 where: short stacking energy: -728.465 Base-Backbone interact. energy: 0.939 local terms energy: -787.858446 where: bonds (distance) C4'-P energy: -160.585 bonds (distance) P-C4' energy: -160.665 flat angles C4'-P-C4' energy: -172.485 flat angles P-C4'-P energy: -88.679 tors. eta vs tors. theta energy: -205.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2385.116632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.116632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.116632 (E_RNA) where: Base-Base interactions energy: -1635.087 where: short stacking energy: -688.360 Base-Backbone interact. energy: -3.914 local terms energy: -746.116145 where: bonds (distance) C4'-P energy: -128.541 bonds (distance) P-C4' energy: -143.645 flat angles C4'-P-C4' energy: -180.921 flat angles P-C4'-P energy: -107.442 tors. eta vs tors. theta energy: -185.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2142.526481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.526481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.526481 (E_RNA) where: Base-Base interactions energy: -1403.167 where: short stacking energy: -645.297 Base-Backbone interact. energy: 1.439 local terms energy: -740.798363 where: bonds (distance) C4'-P energy: -134.126 bonds (distance) P-C4' energy: -152.896 flat angles C4'-P-C4' energy: -154.254 flat angles P-C4'-P energy: -97.838 tors. eta vs tors. theta energy: -201.684 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: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1874.516427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.516427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.516427 (E_RNA) where: Base-Base interactions energy: -1200.519 where: short stacking energy: -521.948 Base-Backbone interact. energy: 1.894 local terms energy: -675.890615 where: bonds (distance) C4'-P energy: -133.776 bonds (distance) P-C4' energy: -146.714 flat angles C4'-P-C4' energy: -157.095 flat angles P-C4'-P energy: -102.005 tors. eta vs tors. theta energy: -136.301 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: 423 Temperature: 1.250000 Total energy: -1636.865417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.865417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.865417 (E_RNA) where: Base-Base interactions energy: -1018.905 where: short stacking energy: -463.746 Base-Backbone interact. energy: 5.025 local terms energy: -622.985226 where: bonds (distance) C4'-P energy: -149.146 bonds (distance) P-C4' energy: -131.920 flat angles C4'-P-C4' energy: -137.987 flat angles P-C4'-P energy: -98.761 tors. eta vs tors. theta energy: -105.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1198.647600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.647600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.647600 (E_RNA) where: Base-Base interactions energy: -683.298 where: short stacking energy: -312.385 Base-Backbone interact. energy: 10.671 local terms energy: -526.020089 where: bonds (distance) C4'-P energy: -109.567 bonds (distance) P-C4' energy: -168.545 flat angles C4'-P-C4' energy: -124.327 flat angles P-C4'-P energy: -94.227 tors. eta vs tors. theta energy: -29.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -845.992959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.992959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.992959 (E_RNA) where: Base-Base interactions energy: -392.683 where: short stacking energy: -220.478 Base-Backbone interact. energy: -2.831 local terms energy: -450.478631 where: bonds (distance) C4'-P energy: -129.598 bonds (distance) P-C4' energy: -142.873 flat angles C4'-P-C4' energy: -103.396 flat angles P-C4'-P energy: -61.084 tors. eta vs tors. theta energy: -13.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2916.193124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.193124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.193124 (E_RNA) where: Base-Base interactions energy: -1997.235 where: short stacking energy: -842.517 Base-Backbone interact. energy: -3.717 local terms energy: -915.241333 where: bonds (distance) C4'-P energy: -167.761 bonds (distance) P-C4' energy: -164.832 flat angles C4'-P-C4' energy: -192.134 flat angles P-C4'-P energy: -129.923 tors. eta vs tors. theta energy: -260.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2773.953294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.953294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.953294 (E_RNA) where: Base-Base interactions energy: -1897.636 where: short stacking energy: -809.856 Base-Backbone interact. energy: -5.544 local terms energy: -870.773277 where: bonds (distance) C4'-P energy: -158.883 bonds (distance) P-C4' energy: -166.039 flat angles C4'-P-C4' energy: -182.730 flat angles P-C4'-P energy: -122.855 tors. eta vs tors. theta energy: -240.266 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: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2667.976793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.976793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.976793 (E_RNA) where: Base-Base interactions energy: -1811.302 where: short stacking energy: -771.401 Base-Backbone interact. energy: -1.111 local terms energy: -855.564585 where: bonds (distance) C4'-P energy: -160.329 bonds (distance) P-C4' energy: -160.353 flat angles C4'-P-C4' energy: -179.808 flat angles P-C4'-P energy: -123.825 tors. eta vs tors. theta energy: -231.250 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: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2503.124807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.124807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.124807 (E_RNA) where: Base-Base interactions energy: -1688.193 where: short stacking energy: -739.655 Base-Backbone interact. energy: 5.343 local terms energy: -820.275056 where: bonds (distance) C4'-P energy: -160.224 bonds (distance) P-C4' energy: -156.099 flat angles C4'-P-C4' energy: -162.090 flat angles P-C4'-P energy: -123.311 tors. eta vs tors. theta energy: -218.550 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: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2429.461077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.461077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.461077 (E_RNA) where: Base-Base interactions energy: -1659.720 where: short stacking energy: -701.421 Base-Backbone interact. energy: -0.213 local terms energy: -769.528009 where: bonds (distance) C4'-P energy: -155.170 bonds (distance) P-C4' energy: -134.354 flat angles C4'-P-C4' energy: -179.701 flat angles P-C4'-P energy: -106.725 tors. eta vs tors. theta energy: -193.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2164.188889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.188889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.188889 (E_RNA) where: Base-Base interactions energy: -1428.787 where: short stacking energy: -637.364 Base-Backbone interact. energy: -4.300 local terms energy: -731.101038 where: bonds (distance) C4'-P energy: -143.831 bonds (distance) P-C4' energy: -135.717 flat angles C4'-P-C4' energy: -168.686 flat angles P-C4'-P energy: -110.184 tors. eta vs tors. theta energy: -172.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1915.940219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.940219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.940219 (E_RNA) where: Base-Base interactions energy: -1257.310 where: short stacking energy: -567.742 Base-Backbone interact. energy: -0.752 local terms energy: -657.879080 where: bonds (distance) C4'-P energy: -138.852 bonds (distance) P-C4' energy: -137.436 flat angles C4'-P-C4' energy: -138.359 flat angles P-C4'-P energy: -102.849 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: 8, replica: 7 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1608.165813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.165813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.165813 (E_RNA) where: Base-Base interactions energy: -968.824 where: short stacking energy: -436.091 Base-Backbone interact. energy: 2.062 local terms energy: -641.403912 where: bonds (distance) C4'-P energy: -145.335 bonds (distance) P-C4' energy: -157.700 flat angles C4'-P-C4' energy: -162.355 flat angles P-C4'-P energy: -93.259 tors. eta vs tors. theta energy: -82.755 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: 424 Temperature: 1.300000 Total energy: -1179.085330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.085330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.085330 (E_RNA) where: Base-Base interactions energy: -643.799 where: short stacking energy: -321.954 Base-Backbone interact. energy: 6.243 local terms energy: -541.529660 where: bonds (distance) C4'-P energy: -131.892 bonds (distance) P-C4' energy: -151.167 flat angles C4'-P-C4' energy: -139.608 flat angles P-C4'-P energy: -67.218 tors. eta vs tors. theta energy: -51.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -827.231061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.231061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.231061 (E_RNA) where: Base-Base interactions energy: -386.425 where: short stacking energy: -204.026 Base-Backbone interact. energy: -2.304 local terms energy: -438.502393 where: bonds (distance) C4'-P energy: -124.055 bonds (distance) P-C4' energy: -139.469 flat angles C4'-P-C4' energy: -119.471 flat angles P-C4'-P energy: -74.888 tors. eta vs tors. theta energy: 19.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2883.511524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.511524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.511524 (E_RNA) where: Base-Base interactions energy: -1962.126 where: short stacking energy: -848.060 Base-Backbone interact. energy: -2.160 local terms energy: -919.225212 where: bonds (distance) C4'-P energy: -152.641 bonds (distance) P-C4' energy: -181.348 flat angles C4'-P-C4' energy: -199.387 flat angles P-C4'-P energy: -116.532 tors. eta vs tors. theta energy: -269.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2781.494115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.494115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.494115 (E_RNA) where: Base-Base interactions energy: -1894.914 where: short stacking energy: -785.252 Base-Backbone interact. energy: -3.331 local terms energy: -883.249634 where: bonds (distance) C4'-P energy: -162.282 bonds (distance) P-C4' energy: -163.964 flat angles C4'-P-C4' energy: -189.599 flat angles P-C4'-P energy: -131.867 tors. eta vs tors. theta energy: -235.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2647.065623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.065623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.065623 (E_RNA) where: Base-Base interactions energy: -1764.947 where: short stacking energy: -786.604 Base-Backbone interact. energy: -0.612 local terms energy: -881.506730 where: bonds (distance) C4'-P energy: -158.899 bonds (distance) P-C4' energy: -164.859 flat angles C4'-P-C4' energy: -193.003 flat angles P-C4'-P energy: -125.972 tors. eta vs tors. theta energy: -238.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2554.712449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.712449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.712449 (E_RNA) where: Base-Base interactions energy: -1721.451 where: short stacking energy: -784.989 Base-Backbone interact. energy: -1.743 local terms energy: -831.519099 where: bonds (distance) C4'-P energy: -147.445 bonds (distance) P-C4' energy: -161.118 flat angles C4'-P-C4' energy: -182.691 flat angles P-C4'-P energy: -108.759 tors. eta vs tors. theta energy: -231.506 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: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2420.615111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.615111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.615111 (E_RNA) where: Base-Base interactions energy: -1690.949 where: short stacking energy: -678.723 Base-Backbone interact. energy: -4.970 local terms energy: -724.695916 where: bonds (distance) C4'-P energy: -157.036 bonds (distance) P-C4' energy: -152.738 flat angles C4'-P-C4' energy: -131.092 flat angles P-C4'-P energy: -110.240 tors. eta vs tors. theta energy: -173.590 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: 1 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2152.631860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.631860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.631860 (E_RNA) where: Base-Base interactions energy: -1423.612 where: short stacking energy: -635.869 Base-Backbone interact. energy: -0.335 local terms energy: -728.684783 where: bonds (distance) C4'-P energy: -140.405 bonds (distance) P-C4' energy: -140.293 flat angles C4'-P-C4' energy: -168.036 flat angles P-C4'-P energy: -107.009 tors. eta vs tors. theta energy: -172.942 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: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1947.796097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.796097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.796097 (E_RNA) where: Base-Base interactions energy: -1264.379 where: short stacking energy: -565.482 Base-Backbone interact. energy: -0.229 local terms energy: -683.187636 where: bonds (distance) C4'-P energy: -148.793 bonds (distance) P-C4' energy: -144.640 flat angles C4'-P-C4' energy: -161.162 flat angles P-C4'-P energy: -95.981 tors. eta vs tors. theta energy: -132.612 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: 425 Temperature: 1.250000 Total energy: -1494.743426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.743426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.743426 (E_RNA) where: Base-Base interactions energy: -929.646 where: short stacking energy: -435.293 Base-Backbone interact. energy: -0.998 local terms energy: -564.099044 where: bonds (distance) C4'-P energy: -120.659 bonds (distance) P-C4' energy: -115.071 flat angles C4'-P-C4' energy: -149.047 flat angles P-C4'-P energy: -93.261 tors. eta vs tors. theta energy: -86.060 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: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1200.152728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.152728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.152728 (E_RNA) where: Base-Base interactions energy: -697.891 where: short stacking energy: -325.211 Base-Backbone interact. energy: -2.040 local terms energy: -500.220781 where: bonds (distance) C4'-P energy: -142.436 bonds (distance) P-C4' energy: -123.481 flat angles C4'-P-C4' energy: -126.463 flat angles P-C4'-P energy: -87.928 tors. eta vs tors. theta energy: -19.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -838.049115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.049115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.049115 (E_RNA) where: Base-Base interactions energy: -394.143 where: short stacking energy: -213.936 Base-Backbone interact. energy: 5.741 local terms energy: -449.647000 where: bonds (distance) C4'-P energy: -130.269 bonds (distance) P-C4' energy: -165.700 flat angles C4'-P-C4' energy: -114.166 flat angles P-C4'-P energy: -55.718 tors. eta vs tors. theta energy: 16.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2913.330584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.330584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.330584 (E_RNA) where: Base-Base interactions energy: -1989.967 where: short stacking energy: -863.682 Base-Backbone interact. energy: -3.657 local terms energy: -919.705985 where: bonds (distance) C4'-P energy: -163.648 bonds (distance) P-C4' energy: -171.517 flat angles C4'-P-C4' energy: -196.776 flat angles P-C4'-P energy: -118.346 tors. eta vs tors. theta energy: -269.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2803.809388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.809388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.809388 (E_RNA) where: Base-Base interactions energy: -1913.561 where: short stacking energy: -801.589 Base-Backbone interact. energy: 0.081 local terms energy: -890.329644 where: bonds (distance) C4'-P energy: -172.563 bonds (distance) P-C4' energy: -174.936 flat angles C4'-P-C4' energy: -192.949 flat angles P-C4'-P energy: -128.600 tors. eta vs tors. theta energy: -221.282 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: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2666.932239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.932239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.932239 (E_RNA) where: Base-Base interactions energy: -1796.004 where: short stacking energy: -786.435 Base-Backbone interact. energy: -1.548 local terms energy: -869.380835 where: bonds (distance) C4'-P energy: -154.353 bonds (distance) P-C4' energy: -155.792 flat angles C4'-P-C4' energy: -188.204 flat angles P-C4'-P energy: -127.266 tors. eta vs tors. theta energy: -243.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2556.389353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.389353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.389353 (E_RNA) where: Base-Base interactions energy: -1756.352 where: short stacking energy: -723.806 Base-Backbone interact. energy: -3.817 local terms energy: -796.220657 where: bonds (distance) C4'-P energy: -145.189 bonds (distance) P-C4' energy: -154.123 flat angles C4'-P-C4' energy: -163.270 flat angles P-C4'-P energy: -109.018 tors. eta vs tors. theta energy: -224.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2419.152281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.152281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.152281 (E_RNA) where: Base-Base interactions energy: -1636.500 where: short stacking energy: -697.377 Base-Backbone interact. energy: -1.928 local terms energy: -780.723718 where: bonds (distance) C4'-P energy: -158.171 bonds (distance) P-C4' energy: -171.040 flat angles C4'-P-C4' energy: -160.363 flat angles P-C4'-P energy: -96.606 tors. eta vs tors. theta energy: -194.545 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: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2181.828025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.828025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.828025 (E_RNA) where: Base-Base interactions energy: -1452.064 where: short stacking energy: -652.375 Base-Backbone interact. energy: -2.614 local terms energy: -727.150894 where: bonds (distance) C4'-P energy: -114.357 bonds (distance) P-C4' energy: -139.464 flat angles C4'-P-C4' energy: -169.856 flat angles P-C4'-P energy: -116.665 tors. eta vs tors. theta energy: -186.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1902.788079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.788079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.788079 (E_RNA) where: Base-Base interactions energy: -1229.785 where: short stacking energy: -571.159 Base-Backbone interact. energy: 0.324 local terms energy: -673.327475 where: bonds (distance) C4'-P energy: -136.404 bonds (distance) P-C4' energy: -161.891 flat angles C4'-P-C4' energy: -150.757 flat angles P-C4'-P energy: -85.120 tors. eta vs tors. theta energy: -139.156 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: 426 Temperature: 1.250000 Total energy: -1457.078686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.078686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.078686 (E_RNA) where: Base-Base interactions energy: -903.998 where: short stacking energy: -423.787 Base-Backbone interact. energy: 18.111 local terms energy: -571.192435 where: bonds (distance) C4'-P energy: -121.106 bonds (distance) P-C4' energy: -161.585 flat angles C4'-P-C4' energy: -142.297 flat angles P-C4'-P energy: -80.133 tors. eta vs tors. theta energy: -66.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1186.714077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.714077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.714077 (E_RNA) where: Base-Base interactions energy: -691.251 where: short stacking energy: -330.368 Base-Backbone interact. energy: -3.796 local terms energy: -491.667030 where: bonds (distance) C4'-P energy: -146.550 bonds (distance) P-C4' energy: -128.885 flat angles C4'-P-C4' energy: -126.496 flat angles P-C4'-P energy: -64.539 tors. eta vs tors. theta energy: -25.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -856.802205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.802205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.802205 (E_RNA) where: Base-Base interactions energy: -408.419 where: short stacking energy: -234.516 Base-Backbone interact. energy: 7.877 local terms energy: -456.259567 where: bonds (distance) C4'-P energy: -118.096 bonds (distance) P-C4' energy: -146.428 flat angles C4'-P-C4' energy: -104.752 flat angles P-C4'-P energy: -87.724 tors. eta vs tors. theta energy: 0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2922.578277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.578277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.578277 (E_RNA) where: Base-Base interactions energy: -2028.468 where: short stacking energy: -840.146 Base-Backbone interact. energy: -4.488 local terms energy: -889.622442 where: bonds (distance) C4'-P energy: -173.692 bonds (distance) P-C4' energy: -171.093 flat angles C4'-P-C4' energy: -183.652 flat angles P-C4'-P energy: -119.079 tors. eta vs tors. theta energy: -242.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2794.581649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.581649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.581649 (E_RNA) where: Base-Base interactions energy: -1951.138 where: short stacking energy: -823.993 Base-Backbone interact. energy: -0.007 local terms energy: -843.436765 where: bonds (distance) C4'-P energy: -145.474 bonds (distance) P-C4' energy: -154.661 flat angles C4'-P-C4' energy: -180.167 flat angles P-C4'-P energy: -129.717 tors. eta vs tors. theta energy: -233.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2745.701735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.701735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.701735 (E_RNA) where: Base-Base interactions energy: -1856.257 where: short stacking energy: -835.108 Base-Backbone interact. energy: -1.484 local terms energy: -887.960388 where: bonds (distance) C4'-P energy: -157.833 bonds (distance) P-C4' energy: -154.222 flat angles C4'-P-C4' energy: -189.565 flat angles P-C4'-P energy: -130.619 tors. eta vs tors. theta energy: -255.721 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: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2613.142509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.142509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.142509 (E_RNA) where: Base-Base interactions energy: -1799.354 where: short stacking energy: -762.299 Base-Backbone interact. energy: -0.395 local terms energy: -813.393246 where: bonds (distance) C4'-P energy: -141.871 bonds (distance) P-C4' energy: -141.151 flat angles C4'-P-C4' energy: -180.921 flat angles P-C4'-P energy: -111.110 tors. eta vs tors. theta energy: -238.339 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: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2399.327245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.327245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.327245 (E_RNA) where: Base-Base interactions energy: -1657.370 where: short stacking energy: -689.382 Base-Backbone interact. energy: -1.768 local terms energy: -740.188790 where: bonds (distance) C4'-P energy: -147.842 bonds (distance) P-C4' energy: -145.674 flat angles C4'-P-C4' energy: -163.657 flat angles P-C4'-P energy: -93.923 tors. eta vs tors. theta energy: -189.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2170.690938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.690938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.690938 (E_RNA) where: Base-Base interactions energy: -1414.488 where: short stacking energy: -663.460 Base-Backbone interact. energy: -3.934 local terms energy: -752.268403 where: bonds (distance) C4'-P energy: -147.226 bonds (distance) P-C4' energy: -138.819 flat angles C4'-P-C4' energy: -177.146 flat angles P-C4'-P energy: -94.965 tors. eta vs tors. theta energy: -194.113 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: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1901.261796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.261796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.261796 (E_RNA) where: Base-Base interactions energy: -1217.411 where: short stacking energy: -574.705 Base-Backbone interact. energy: -2.097 local terms energy: -681.753398 where: bonds (distance) C4'-P energy: -144.788 bonds (distance) P-C4' energy: -137.290 flat angles C4'-P-C4' energy: -162.518 flat angles P-C4'-P energy: -99.453 tors. eta vs tors. theta energy: -137.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1485.849771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.849771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.849771 (E_RNA) where: Base-Base interactions energy: -889.130 where: short stacking energy: -439.365 Base-Backbone interact. energy: 2.824 local terms energy: -599.544288 where: bonds (distance) C4'-P energy: -135.066 bonds (distance) P-C4' energy: -148.272 flat angles C4'-P-C4' energy: -146.536 flat angles P-C4'-P energy: -83.889 tors. eta vs tors. theta energy: -85.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1204.737148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.737148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.737148 (E_RNA) where: Base-Base interactions energy: -682.979 where: short stacking energy: -336.725 Base-Backbone interact. energy: -3.266 local terms energy: -518.492081 where: bonds (distance) C4'-P energy: -139.147 bonds (distance) P-C4' energy: -134.523 flat angles C4'-P-C4' energy: -109.837 flat angles P-C4'-P energy: -98.507 tors. eta vs tors. theta energy: -36.478 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: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -826.355910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.355910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.355910 (E_RNA) where: Base-Base interactions energy: -401.849 where: short stacking energy: -225.457 Base-Backbone interact. energy: -2.537 local terms energy: -421.969496 where: bonds (distance) C4'-P energy: -119.941 bonds (distance) P-C4' energy: -132.417 flat angles C4'-P-C4' energy: -120.806 flat angles P-C4'-P energy: -53.760 tors. eta vs tors. theta energy: 4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2873.323385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.323385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.323385 (E_RNA) where: Base-Base interactions energy: -1986.390 where: short stacking energy: -834.028 Base-Backbone interact. energy: -2.606 local terms energy: -884.327120 where: bonds (distance) C4'-P energy: -157.819 bonds (distance) P-C4' energy: -162.042 flat angles C4'-P-C4' energy: -185.644 flat angles P-C4'-P energy: -131.897 tors. eta vs tors. theta energy: -246.926 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: 428 Temperature: 0.950000 Total energy: -2819.747917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.747917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.747917 (E_RNA) where: Base-Base interactions energy: -1953.092 where: short stacking energy: -835.020 Base-Backbone interact. energy: 0.689 local terms energy: -867.345349 where: bonds (distance) C4'-P energy: -163.903 bonds (distance) P-C4' energy: -166.402 flat angles C4'-P-C4' energy: -193.267 flat angles P-C4'-P energy: -105.133 tors. eta vs tors. theta energy: -238.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2694.176009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.176009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.176009 (E_RNA) where: Base-Base interactions energy: -1840.525 where: short stacking energy: -802.126 Base-Backbone interact. energy: -3.965 local terms energy: -849.686244 where: bonds (distance) C4'-P energy: -156.195 bonds (distance) P-C4' energy: -151.851 flat angles C4'-P-C4' energy: -172.674 flat angles P-C4'-P energy: -124.565 tors. eta vs tors. theta energy: -244.400 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: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2556.298415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.298415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.298415 (E_RNA) where: Base-Base interactions energy: -1765.991 where: short stacking energy: -762.014 Base-Backbone interact. energy: 3.009 local terms energy: -793.316967 where: bonds (distance) C4'-P energy: -143.762 bonds (distance) P-C4' energy: -155.632 flat angles C4'-P-C4' energy: -164.916 flat angles P-C4'-P energy: -116.835 tors. eta vs tors. theta energy: -212.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2403.371779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.371779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.371779 (E_RNA) where: Base-Base interactions energy: -1655.927 where: short stacking energy: -699.894 Base-Backbone interact. energy: -1.673 local terms energy: -745.772551 where: bonds (distance) C4'-P energy: -136.571 bonds (distance) P-C4' energy: -134.420 flat angles C4'-P-C4' energy: -170.534 flat angles P-C4'-P energy: -100.888 tors. eta vs tors. theta energy: -203.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2110.372513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.372513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.372513 (E_RNA) where: Base-Base interactions energy: -1395.109 where: short stacking energy: -623.158 Base-Backbone interact. energy: -0.616 local terms energy: -714.648017 where: bonds (distance) C4'-P energy: -142.072 bonds (distance) P-C4' energy: -156.693 flat angles C4'-P-C4' energy: -160.229 flat angles P-C4'-P energy: -84.310 tors. eta vs tors. theta energy: -171.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1831.304675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.304675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.304675 (E_RNA) where: Base-Base interactions energy: -1184.733 where: short stacking energy: -530.290 Base-Backbone interact. energy: -2.478 local terms energy: -644.094295 where: bonds (distance) C4'-P energy: -117.755 bonds (distance) P-C4' energy: -158.724 flat angles C4'-P-C4' energy: -148.610 flat angles P-C4'-P energy: -82.029 tors. eta vs tors. theta energy: -136.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1433.002116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.002116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.002116 (E_RNA) where: Base-Base interactions energy: -830.944 where: short stacking energy: -405.869 Base-Backbone interact. energy: 4.655 local terms energy: -606.713852 where: bonds (distance) C4'-P energy: -145.038 bonds (distance) P-C4' energy: -145.191 flat angles C4'-P-C4' energy: -144.423 flat angles P-C4'-P energy: -98.959 tors. eta vs tors. theta energy: -73.102 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: 428 Temperature: 1.300000 Total energy: -1179.372669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.372669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.372669 (E_RNA) where: Base-Base interactions energy: -677.972 where: short stacking energy: -319.951 Base-Backbone interact. energy: -3.290 local terms energy: -498.111046 where: bonds (distance) C4'-P energy: -124.211 bonds (distance) P-C4' energy: -149.184 flat angles C4'-P-C4' energy: -134.884 flat angles P-C4'-P energy: -64.182 tors. eta vs tors. theta energy: -25.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -844.906328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.906328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.906328 (E_RNA) where: Base-Base interactions energy: -375.899 where: short stacking energy: -231.551 Base-Backbone interact. energy: 0.266 local terms energy: -469.273181 where: bonds (distance) C4'-P energy: -125.186 bonds (distance) P-C4' energy: -163.029 flat angles C4'-P-C4' energy: -109.347 flat angles P-C4'-P energy: -75.323 tors. eta vs tors. theta energy: 3.611 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: 1, replica: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2874.191626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.191626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.191626 (E_RNA) where: Base-Base interactions energy: -1983.827 where: short stacking energy: -848.752 Base-Backbone interact. energy: -3.202 local terms energy: -887.162598 where: bonds (distance) C4'-P energy: -172.550 bonds (distance) P-C4' energy: -160.733 flat angles C4'-P-C4' energy: -180.091 flat angles P-C4'-P energy: -124.376 tors. eta vs tors. theta energy: -249.412 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: 429 Temperature: 0.950000 Total energy: -2775.179867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.179867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.179867 (E_RNA) where: Base-Base interactions energy: -1896.538 where: short stacking energy: -767.983 Base-Backbone interact. energy: -1.746 local terms energy: -876.895640 where: bonds (distance) C4'-P energy: -159.099 bonds (distance) P-C4' energy: -170.617 flat angles C4'-P-C4' energy: -180.005 flat angles P-C4'-P energy: -133.299 tors. eta vs tors. theta energy: -233.876 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: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2669.133363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.133363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.133363 (E_RNA) where: Base-Base interactions energy: -1814.878 where: short stacking energy: -789.606 Base-Backbone interact. energy: -0.880 local terms energy: -853.374668 where: bonds (distance) C4'-P energy: -163.361 bonds (distance) P-C4' energy: -155.358 flat angles C4'-P-C4' energy: -177.704 flat angles P-C4'-P energy: -117.003 tors. eta vs tors. theta energy: -239.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2580.108541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.108541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.108541 (E_RNA) where: Base-Base interactions energy: -1759.716 where: short stacking energy: -710.970 Base-Backbone interact. energy: -0.966 local terms energy: -819.426348 where: bonds (distance) C4'-P energy: -166.291 bonds (distance) P-C4' energy: -158.715 flat angles C4'-P-C4' energy: -162.667 flat angles P-C4'-P energy: -101.713 tors. eta vs tors. theta energy: -230.039 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: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2432.447976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.447976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.447976 (E_RNA) where: Base-Base interactions energy: -1689.637 where: short stacking energy: -693.041 Base-Backbone interact. energy: -1.425 local terms energy: -741.385954 where: bonds (distance) C4'-P energy: -131.869 bonds (distance) P-C4' energy: -154.552 flat angles C4'-P-C4' energy: -165.791 flat angles P-C4'-P energy: -98.085 tors. eta vs tors. theta energy: -191.090 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: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2145.284037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.284037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.284037 (E_RNA) where: Base-Base interactions energy: -1424.474 where: short stacking energy: -678.993 Base-Backbone interact. energy: -2.120 local terms energy: -718.690529 where: bonds (distance) C4'-P energy: -113.634 bonds (distance) P-C4' energy: -148.313 flat angles C4'-P-C4' energy: -148.572 flat angles P-C4'-P energy: -109.887 tors. eta vs tors. theta energy: -198.284 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: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1771.458986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.458986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.458986 (E_RNA) where: Base-Base interactions energy: -1148.705 where: short stacking energy: -506.591 Base-Backbone interact. energy: -0.069 local terms energy: -622.685479 where: bonds (distance) C4'-P energy: -136.298 bonds (distance) P-C4' energy: -145.830 flat angles C4'-P-C4' energy: -152.091 flat angles P-C4'-P energy: -72.154 tors. eta vs tors. theta energy: -116.312 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: 429 Temperature: 1.250000 Total energy: -1465.147972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.147972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.147972 (E_RNA) where: Base-Base interactions energy: -868.179 where: short stacking energy: -405.856 Base-Backbone interact. energy: -3.358 local terms energy: -593.610893 where: bonds (distance) C4'-P energy: -128.308 bonds (distance) P-C4' energy: -133.764 flat angles C4'-P-C4' energy: -138.130 flat angles P-C4'-P energy: -107.985 tors. eta vs tors. theta energy: -85.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1124.899042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.899042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.899042 (E_RNA) where: Base-Base interactions energy: -668.659 where: short stacking energy: -308.195 Base-Backbone interact. energy: 0.942 local terms energy: -457.181375 where: bonds (distance) C4'-P energy: -134.020 bonds (distance) P-C4' energy: -133.869 flat angles C4'-P-C4' energy: -115.100 flat angles P-C4'-P energy: -60.881 tors. eta vs tors. theta energy: -13.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -837.470244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.470244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.470244 (E_RNA) where: Base-Base interactions energy: -418.890 where: short stacking energy: -231.791 Base-Backbone interact. energy: 1.754 local terms energy: -420.334709 where: bonds (distance) C4'-P energy: -113.499 bonds (distance) P-C4' energy: -130.954 flat angles C4'-P-C4' energy: -117.547 flat angles P-C4'-P energy: -68.068 tors. eta vs tors. theta energy: 9.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2918.813101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.813101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.813101 (E_RNA) where: Base-Base interactions energy: -1990.787 where: short stacking energy: -851.904 Base-Backbone interact. energy: -3.184 local terms energy: -924.841756 where: bonds (distance) C4'-P energy: -178.509 bonds (distance) P-C4' energy: -176.925 flat angles C4'-P-C4' energy: -186.041 flat angles P-C4'-P energy: -124.480 tors. eta vs tors. theta energy: -258.887 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: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2778.375972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.375972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.375972 (E_RNA) where: Base-Base interactions energy: -1918.961 where: short stacking energy: -816.180 Base-Backbone interact. energy: -3.793 local terms energy: -855.621524 where: bonds (distance) C4'-P energy: -168.372 bonds (distance) P-C4' energy: -166.175 flat angles C4'-P-C4' energy: -175.558 flat angles P-C4'-P energy: -121.960 tors. eta vs tors. theta energy: -223.557 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: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2661.741457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.741457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.741457 (E_RNA) where: Base-Base interactions energy: -1798.544 where: short stacking energy: -762.039 Base-Backbone interact. energy: -2.349 local terms energy: -860.848933 where: bonds (distance) C4'-P energy: -146.060 bonds (distance) P-C4' energy: -163.490 flat angles C4'-P-C4' energy: -190.498 flat angles P-C4'-P energy: -112.555 tors. eta vs tors. theta energy: -248.246 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: 9 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2588.745719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.745719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.745719 (E_RNA) where: Base-Base interactions energy: -1736.402 where: short stacking energy: -750.161 Base-Backbone interact. energy: 3.690 local terms energy: -856.033353 where: bonds (distance) C4'-P energy: -157.285 bonds (distance) P-C4' energy: -158.761 flat angles C4'-P-C4' energy: -191.266 flat angles P-C4'-P energy: -124.589 tors. eta vs tors. theta energy: -224.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2365.177279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.177279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.177279 (E_RNA) where: Base-Base interactions energy: -1618.696 where: short stacking energy: -692.156 Base-Backbone interact. energy: 2.111 local terms energy: -748.592254 where: bonds (distance) C4'-P energy: -136.431 bonds (distance) P-C4' energy: -144.059 flat angles C4'-P-C4' energy: -161.426 flat angles P-C4'-P energy: -125.332 tors. eta vs tors. theta energy: -181.344 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: 430 Temperature: 1.150000 Total energy: -2149.470781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.470781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.470781 (E_RNA) where: Base-Base interactions energy: -1410.290 where: short stacking energy: -651.149 Base-Backbone interact. energy: -3.366 local terms energy: -735.814222 where: bonds (distance) C4'-P energy: -129.231 bonds (distance) P-C4' energy: -140.359 flat angles C4'-P-C4' energy: -167.498 flat angles P-C4'-P energy: -97.840 tors. eta vs tors. theta energy: -200.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1806.582572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.582572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.582572 (E_RNA) where: Base-Base interactions energy: -1160.966 where: short stacking energy: -500.911 Base-Backbone interact. energy: 0.366 local terms energy: -645.981661 where: bonds (distance) C4'-P energy: -145.461 bonds (distance) P-C4' energy: -132.335 flat angles C4'-P-C4' energy: -148.312 flat angles P-C4'-P energy: -104.014 tors. eta vs tors. theta energy: -115.860 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: 430 Temperature: 1.250000 Total energy: -1485.095681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.095681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.095681 (E_RNA) where: Base-Base interactions energy: -899.197 where: short stacking energy: -422.880 Base-Backbone interact. energy: 5.760 local terms energy: -591.658506 where: bonds (distance) C4'-P energy: -135.513 bonds (distance) P-C4' energy: -130.983 flat angles C4'-P-C4' energy: -157.568 flat angles P-C4'-P energy: -84.504 tors. eta vs tors. theta energy: -83.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1134.158743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.158743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.158743 (E_RNA) where: Base-Base interactions energy: -606.404 where: short stacking energy: -298.514 Base-Backbone interact. energy: 1.715 local terms energy: -529.469934 where: bonds (distance) C4'-P energy: -163.025 bonds (distance) P-C4' energy: -144.712 flat angles C4'-P-C4' energy: -149.662 flat angles P-C4'-P energy: -57.933 tors. eta vs tors. theta energy: -14.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -836.763427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.763427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.763427 (E_RNA) where: Base-Base interactions energy: -414.393 where: short stacking energy: -247.538 Base-Backbone interact. energy: 10.564 local terms energy: -432.934011 where: bonds (distance) C4'-P energy: -109.476 bonds (distance) P-C4' energy: -141.027 flat angles C4'-P-C4' energy: -97.123 flat angles P-C4'-P energy: -87.001 tors. eta vs tors. theta energy: 1.693 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: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2905.283074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.283074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.283074 (E_RNA) where: Base-Base interactions energy: -1996.912 where: short stacking energy: -850.702 Base-Backbone interact. energy: -2.081 local terms energy: -906.289811 where: bonds (distance) C4'-P energy: -157.816 bonds (distance) P-C4' energy: -169.809 flat angles C4'-P-C4' energy: -190.250 flat angles P-C4'-P energy: -137.151 tors. eta vs tors. theta energy: -251.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2814.980699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.980699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.980699 (E_RNA) where: Base-Base interactions energy: -1949.548 where: short stacking energy: -817.919 Base-Backbone interact. energy: -1.878 local terms energy: -863.554703 where: bonds (distance) C4'-P energy: -160.489 bonds (distance) P-C4' energy: -160.883 flat angles C4'-P-C4' energy: -178.972 flat angles P-C4'-P energy: -124.900 tors. eta vs tors. theta energy: -238.311 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: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2674.322407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.322407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.322407 (E_RNA) where: Base-Base interactions energy: -1804.295 where: short stacking energy: -758.938 Base-Backbone interact. energy: -6.310 local terms energy: -863.717406 where: bonds (distance) C4'-P energy: -157.319 bonds (distance) P-C4' energy: -155.369 flat angles C4'-P-C4' energy: -178.842 flat angles P-C4'-P energy: -137.183 tors. eta vs tors. theta energy: -235.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2597.489231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.489231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.489231 (E_RNA) where: Base-Base interactions energy: -1756.989 where: short stacking energy: -747.361 Base-Backbone interact. energy: -4.077 local terms energy: -836.423240 where: bonds (distance) C4'-P energy: -150.129 bonds (distance) P-C4' energy: -162.199 flat angles C4'-P-C4' energy: -186.892 flat angles P-C4'-P energy: -122.724 tors. eta vs tors. theta energy: -214.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2392.468960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.468960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.468960 (E_RNA) where: Base-Base interactions energy: -1663.368 where: short stacking energy: -689.222 Base-Backbone interact. energy: 0.520 local terms energy: -729.621510 where: bonds (distance) C4'-P energy: -134.618 bonds (distance) P-C4' energy: -152.619 flat angles C4'-P-C4' energy: -164.802 flat angles P-C4'-P energy: -103.425 tors. eta vs tors. theta energy: -174.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2260.780560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.780560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.780560 (E_RNA) where: Base-Base interactions energy: -1530.407 where: short stacking energy: -647.517 Base-Backbone interact. energy: -1.403 local terms energy: -728.971295 where: bonds (distance) C4'-P energy: -151.852 bonds (distance) P-C4' energy: -150.746 flat angles C4'-P-C4' energy: -154.644 flat angles P-C4'-P energy: -88.697 tors. eta vs tors. theta energy: -183.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1857.834814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.834814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.834814 (E_RNA) where: Base-Base interactions energy: -1197.116 where: short stacking energy: -517.800 Base-Backbone interact. energy: 4.648 local terms energy: -665.366109 where: bonds (distance) C4'-P energy: -133.701 bonds (distance) P-C4' energy: -147.678 flat angles C4'-P-C4' energy: -154.232 flat angles P-C4'-P energy: -105.292 tors. eta vs tors. theta energy: -124.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1466.517454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.517454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.517454 (E_RNA) where: Base-Base interactions energy: -903.224 where: short stacking energy: -416.171 Base-Backbone interact. energy: 2.820 local terms energy: -566.113365 where: bonds (distance) C4'-P energy: -131.812 bonds (distance) P-C4' energy: -133.838 flat angles C4'-P-C4' energy: -116.798 flat angles P-C4'-P energy: -99.607 tors. eta vs tors. theta energy: -84.058 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: 9, replica: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1199.741902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.741902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.741902 (E_RNA) where: Base-Base interactions energy: -711.663 where: short stacking energy: -335.890 Base-Backbone interact. energy: 0.421 local terms energy: -488.499362 where: bonds (distance) C4'-P energy: -131.433 bonds (distance) P-C4' energy: -140.914 flat angles C4'-P-C4' energy: -130.281 flat angles P-C4'-P energy: -63.892 tors. eta vs tors. theta energy: -21.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -901.702117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.702117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.702117 (E_RNA) where: Base-Base interactions energy: -437.354 where: short stacking energy: -271.727 Base-Backbone interact. energy: 4.257 local terms energy: -468.604383 where: bonds (distance) C4'-P energy: -108.422 bonds (distance) P-C4' energy: -157.903 flat angles C4'-P-C4' energy: -133.587 flat angles P-C4'-P energy: -54.248 tors. eta vs tors. theta energy: -14.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2898.519077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.519077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.519077 (E_RNA) where: Base-Base interactions energy: -1985.600 where: short stacking energy: -870.246 Base-Backbone interact. energy: -0.734 local terms energy: -912.185727 where: bonds (distance) C4'-P energy: -181.285 bonds (distance) P-C4' energy: -171.315 flat angles C4'-P-C4' energy: -195.913 flat angles P-C4'-P energy: -115.139 tors. eta vs tors. theta energy: -248.534 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: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2779.608578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.608578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.608578 (E_RNA) where: Base-Base interactions energy: -1891.170 where: short stacking energy: -810.080 Base-Backbone interact. energy: -3.404 local terms energy: -885.034588 where: bonds (distance) C4'-P energy: -165.700 bonds (distance) P-C4' energy: -171.778 flat angles C4'-P-C4' energy: -176.671 flat angles P-C4'-P energy: -124.528 tors. eta vs tors. theta energy: -246.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2675.475506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.475506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.475506 (E_RNA) where: Base-Base interactions energy: -1831.051 where: short stacking energy: -829.849 Base-Backbone interact. energy: -1.905 local terms energy: -842.519686 where: bonds (distance) C4'-P energy: -140.048 bonds (distance) P-C4' energy: -167.661 flat angles C4'-P-C4' energy: -183.742 flat angles P-C4'-P energy: -106.596 tors. eta vs tors. theta energy: -244.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2589.115286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.115286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.115286 (E_RNA) where: Base-Base interactions energy: -1755.320 where: short stacking energy: -744.217 Base-Backbone interact. energy: -3.075 local terms energy: -830.720099 where: bonds (distance) C4'-P energy: -165.344 bonds (distance) P-C4' energy: -156.426 flat angles C4'-P-C4' energy: -168.227 flat angles P-C4'-P energy: -121.690 tors. eta vs tors. theta energy: -219.033 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: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2418.563668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.563668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.563668 (E_RNA) where: Base-Base interactions energy: -1655.445 where: short stacking energy: -686.981 Base-Backbone interact. energy: -2.492 local terms energy: -760.626482 where: bonds (distance) C4'-P energy: -123.375 bonds (distance) P-C4' energy: -160.254 flat angles C4'-P-C4' energy: -172.891 flat angles P-C4'-P energy: -107.054 tors. eta vs tors. theta energy: -197.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2219.751097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.751097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.751097 (E_RNA) where: Base-Base interactions energy: -1473.893 where: short stacking energy: -636.993 Base-Backbone interact. energy: -2.848 local terms energy: -743.009692 where: bonds (distance) C4'-P energy: -149.567 bonds (distance) P-C4' energy: -128.464 flat angles C4'-P-C4' energy: -166.881 flat angles P-C4'-P energy: -113.380 tors. eta vs tors. theta energy: -184.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1854.609108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.609108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.609108 (E_RNA) where: Base-Base interactions energy: -1218.121 where: short stacking energy: -546.575 Base-Backbone interact. energy: -4.990 local terms energy: -631.497850 where: bonds (distance) C4'-P energy: -139.066 bonds (distance) P-C4' energy: -117.362 flat angles C4'-P-C4' energy: -151.482 flat angles P-C4'-P energy: -79.649 tors. eta vs tors. theta energy: -143.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1427.578772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.578772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.578772 (E_RNA) where: Base-Base interactions energy: -871.859 where: short stacking energy: -406.252 Base-Backbone interact. energy: 4.015 local terms energy: -559.734961 where: bonds (distance) C4'-P energy: -123.606 bonds (distance) P-C4' energy: -159.184 flat angles C4'-P-C4' energy: -123.600 flat angles P-C4'-P energy: -72.929 tors. eta vs tors. theta energy: -80.415 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: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1194.523032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.523032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.523032 (E_RNA) where: Base-Base interactions energy: -699.888 where: short stacking energy: -328.652 Base-Backbone interact. energy: -2.787 local terms energy: -491.847960 where: bonds (distance) C4'-P energy: -122.832 bonds (distance) P-C4' energy: -152.470 flat angles C4'-P-C4' energy: -130.479 flat angles P-C4'-P energy: -68.943 tors. eta vs tors. theta energy: -17.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -868.958383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.958383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.958383 (E_RNA) where: Base-Base interactions energy: -441.637 where: short stacking energy: -238.877 Base-Backbone interact. energy: 2.209 local terms energy: -429.531251 where: bonds (distance) C4'-P energy: -120.871 bonds (distance) P-C4' energy: -137.748 flat angles C4'-P-C4' energy: -121.272 flat angles P-C4'-P energy: -48.251 tors. eta vs tors. theta energy: -1.389 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: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2908.147173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.147173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.147173 (E_RNA) where: Base-Base interactions energy: -1991.724 where: short stacking energy: -849.017 Base-Backbone interact. energy: -4.705 local terms energy: -911.717839 where: bonds (distance) C4'-P energy: -158.965 bonds (distance) P-C4' energy: -170.536 flat angles C4'-P-C4' energy: -178.760 flat angles P-C4'-P energy: -139.003 tors. eta vs tors. theta energy: -264.454 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: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2776.907805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.907805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.907805 (E_RNA) where: Base-Base interactions energy: -1922.197 where: short stacking energy: -810.941 Base-Backbone interact. energy: -1.797 local terms energy: -852.912980 where: bonds (distance) C4'-P energy: -153.655 bonds (distance) P-C4' energy: -166.016 flat angles C4'-P-C4' energy: -169.017 flat angles P-C4'-P energy: -122.340 tors. eta vs tors. theta energy: -241.885 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: 433 Temperature: 1.000000 Total energy: -2694.068592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.068592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.068592 (E_RNA) where: Base-Base interactions energy: -1819.702 where: short stacking energy: -779.635 Base-Backbone interact. energy: -2.406 local terms energy: -871.961091 where: bonds (distance) C4'-P energy: -160.741 bonds (distance) P-C4' energy: -161.593 flat angles C4'-P-C4' energy: -176.848 flat angles P-C4'-P energy: -130.003 tors. eta vs tors. theta energy: -242.776 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: 9 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2564.269398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.269398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.269398 (E_RNA) where: Base-Base interactions energy: -1753.226 where: short stacking energy: -767.721 Base-Backbone interact. energy: -3.752 local terms energy: -807.291907 where: bonds (distance) C4'-P energy: -142.843 bonds (distance) P-C4' energy: -153.304 flat angles C4'-P-C4' energy: -163.705 flat angles P-C4'-P energy: -114.601 tors. eta vs tors. theta energy: -232.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2519.676633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.676633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.676633 (E_RNA) where: Base-Base interactions energy: -1766.463 where: short stacking energy: -746.256 Base-Backbone interact. energy: 4.281 local terms energy: -757.494691 where: bonds (distance) C4'-P energy: -140.903 bonds (distance) P-C4' energy: -135.832 flat angles C4'-P-C4' energy: -155.545 flat angles P-C4'-P energy: -108.615 tors. eta vs tors. theta energy: -216.600 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: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2181.476921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.476921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.476921 (E_RNA) where: Base-Base interactions energy: -1453.251 where: short stacking energy: -633.848 Base-Backbone interact. energy: -4.296 local terms energy: -723.929907 where: bonds (distance) C4'-P energy: -145.937 bonds (distance) P-C4' energy: -162.684 flat angles C4'-P-C4' energy: -147.103 flat angles P-C4'-P energy: -85.847 tors. eta vs tors. theta energy: -182.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1861.976598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.976598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.976598 (E_RNA) where: Base-Base interactions energy: -1225.031 where: short stacking energy: -547.074 Base-Backbone interact. energy: -2.571 local terms energy: -634.374941 where: bonds (distance) C4'-P energy: -122.233 bonds (distance) P-C4' energy: -153.953 flat angles C4'-P-C4' energy: -146.594 flat angles P-C4'-P energy: -83.417 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: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1443.850093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.850093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.850093 (E_RNA) where: Base-Base interactions energy: -908.295 where: short stacking energy: -406.689 Base-Backbone interact. energy: -1.724 local terms energy: -533.831179 where: bonds (distance) C4'-P energy: -123.388 bonds (distance) P-C4' energy: -131.036 flat angles C4'-P-C4' energy: -129.643 flat angles P-C4'-P energy: -78.549 tors. eta vs tors. theta energy: -71.216 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: 9, replica: 10 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1157.240247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.240247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.240247 (E_RNA) where: Base-Base interactions energy: -675.236 where: short stacking energy: -341.301 Base-Backbone interact. energy: -3.263 local terms energy: -478.741105 where: bonds (distance) C4'-P energy: -111.423 bonds (distance) P-C4' energy: -155.749 flat angles C4'-P-C4' energy: -121.734 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -20.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -828.105932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.105932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.105932 (E_RNA) where: Base-Base interactions energy: -359.548 where: short stacking energy: -225.131 Base-Backbone interact. energy: -1.755 local terms energy: -466.803149 where: bonds (distance) C4'-P energy: -158.570 bonds (distance) P-C4' energy: -142.902 flat angles C4'-P-C4' energy: -115.598 flat angles P-C4'-P energy: -71.573 tors. eta vs tors. theta energy: 21.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2898.903698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.903698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.903698 (E_RNA) where: Base-Base interactions energy: -1990.212 where: short stacking energy: -848.882 Base-Backbone interact. energy: -2.475 local terms energy: -906.216662 where: bonds (distance) C4'-P energy: -150.867 bonds (distance) P-C4' energy: -169.127 flat angles C4'-P-C4' energy: -190.968 flat angles P-C4'-P energy: -131.949 tors. eta vs tors. theta energy: -263.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2793.446239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.446239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.446239 (E_RNA) where: Base-Base interactions energy: -1911.004 where: short stacking energy: -801.673 Base-Backbone interact. energy: -7.332 local terms energy: -875.110094 where: bonds (distance) C4'-P energy: -169.712 bonds (distance) P-C4' energy: -156.935 flat angles C4'-P-C4' energy: -187.609 flat angles P-C4'-P energy: -119.480 tors. eta vs tors. theta energy: -241.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2685.078887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.078887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.078887 (E_RNA) where: Base-Base interactions energy: -1827.737 where: short stacking energy: -821.455 Base-Backbone interact. energy: 2.263 local terms energy: -859.604847 where: bonds (distance) C4'-P energy: -159.069 bonds (distance) P-C4' energy: -158.369 flat angles C4'-P-C4' energy: -183.637 flat angles P-C4'-P energy: -115.312 tors. eta vs tors. theta energy: -243.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2651.132092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.132092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.132092 (E_RNA) where: Base-Base interactions energy: -1766.334 where: short stacking energy: -748.028 Base-Backbone interact. energy: -0.066 local terms energy: -884.732502 where: bonds (distance) C4'-P energy: -156.862 bonds (distance) P-C4' energy: -170.786 flat angles C4'-P-C4' energy: -188.784 flat angles P-C4'-P energy: -134.348 tors. eta vs tors. theta energy: -233.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2514.715543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.715543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.715543 (E_RNA) where: Base-Base interactions energy: -1705.742 where: short stacking energy: -697.367 Base-Backbone interact. energy: -0.169 local terms energy: -808.804217 where: bonds (distance) C4'-P energy: -143.752 bonds (distance) P-C4' energy: -169.844 flat angles C4'-P-C4' energy: -178.884 flat angles P-C4'-P energy: -116.102 tors. eta vs tors. theta energy: -200.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2168.440776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.440776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.440776 (E_RNA) where: Base-Base interactions energy: -1472.650 where: short stacking energy: -613.688 Base-Backbone interact. energy: -1.662 local terms energy: -694.129656 where: bonds (distance) C4'-P energy: -121.878 bonds (distance) P-C4' energy: -137.544 flat angles C4'-P-C4' energy: -167.722 flat angles P-C4'-P energy: -94.323 tors. eta vs tors. theta energy: -172.662 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: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1811.426845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.426845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.426845 (E_RNA) where: Base-Base interactions energy: -1198.838 where: short stacking energy: -511.593 Base-Backbone interact. energy: -1.507 local terms energy: -611.081690 where: bonds (distance) C4'-P energy: -117.466 bonds (distance) P-C4' energy: -138.078 flat angles C4'-P-C4' energy: -141.389 flat angles P-C4'-P energy: -88.145 tors. eta vs tors. theta energy: -126.003 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: 434 Temperature: 1.250000 Total energy: -1477.191313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.191313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.191313 (E_RNA) where: Base-Base interactions energy: -895.767 where: short stacking energy: -414.882 Base-Backbone interact. energy: 0.354 local terms energy: -581.777849 where: bonds (distance) C4'-P energy: -120.723 bonds (distance) P-C4' energy: -146.444 flat angles C4'-P-C4' energy: -138.486 flat angles P-C4'-P energy: -87.075 tors. eta vs tors. theta energy: -89.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1094.177243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.177243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.177243 (E_RNA) where: Base-Base interactions energy: -630.254 where: short stacking energy: -293.841 Base-Backbone interact. energy: -2.637 local terms energy: -461.287025 where: bonds (distance) C4'-P energy: -116.928 bonds (distance) P-C4' energy: -138.764 flat angles C4'-P-C4' energy: -123.322 flat angles P-C4'-P energy: -76.710 tors. eta vs tors. theta energy: -5.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -807.779237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.779237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.779237 (E_RNA) where: Base-Base interactions energy: -342.025 where: short stacking energy: -192.341 Base-Backbone interact. energy: -1.002 local terms energy: -464.752272 where: bonds (distance) C4'-P energy: -148.172 bonds (distance) P-C4' energy: -133.187 flat angles C4'-P-C4' energy: -108.218 flat angles P-C4'-P energy: -85.031 tors. eta vs tors. theta energy: 9.857 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: 1, replica: 3 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2870.290986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.290986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.290986 (E_RNA) where: Base-Base interactions energy: -1952.141 where: short stacking energy: -857.307 Base-Backbone interact. energy: -1.349 local terms energy: -916.801610 where: bonds (distance) C4'-P energy: -160.937 bonds (distance) P-C4' energy: -163.621 flat angles C4'-P-C4' energy: -194.210 flat angles P-C4'-P energy: -133.841 tors. eta vs tors. theta energy: -264.193 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: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2777.161426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.161426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.161426 (E_RNA) where: Base-Base interactions energy: -1937.668 where: short stacking energy: -793.296 Base-Backbone interact. energy: -3.975 local terms energy: -835.518652 where: bonds (distance) C4'-P energy: -152.083 bonds (distance) P-C4' energy: -155.169 flat angles C4'-P-C4' energy: -169.489 flat angles P-C4'-P energy: -129.588 tors. eta vs tors. theta energy: -229.189 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: 435 Temperature: 1.000000 Total energy: -2638.028888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.028888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.028888 (E_RNA) where: Base-Base interactions energy: -1809.019 where: short stacking energy: -725.805 Base-Backbone interact. energy: -3.506 local terms energy: -825.503485 where: bonds (distance) C4'-P energy: -162.282 bonds (distance) P-C4' energy: -148.582 flat angles C4'-P-C4' energy: -177.442 flat angles P-C4'-P energy: -117.607 tors. eta vs tors. theta energy: -219.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2614.823171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.823171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.823171 (E_RNA) where: Base-Base interactions energy: -1790.487 where: short stacking energy: -752.940 Base-Backbone interact. energy: -1.297 local terms energy: -823.038704 where: bonds (distance) C4'-P energy: -163.937 bonds (distance) P-C4' energy: -149.835 flat angles C4'-P-C4' energy: -178.191 flat angles P-C4'-P energy: -111.093 tors. eta vs tors. theta energy: -219.983 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: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2522.648673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.648673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.648673 (E_RNA) where: Base-Base interactions energy: -1775.532 where: short stacking energy: -741.267 Base-Backbone interact. energy: 1.911 local terms energy: -749.027542 where: bonds (distance) C4'-P energy: -118.249 bonds (distance) P-C4' energy: -139.333 flat angles C4'-P-C4' energy: -173.821 flat angles P-C4'-P energy: -112.854 tors. eta vs tors. theta energy: -204.770 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: 435 Temperature: 1.150000 Total energy: -2179.861284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.861284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.861284 (E_RNA) where: Base-Base interactions energy: -1455.639 where: short stacking energy: -650.348 Base-Backbone interact. energy: -2.568 local terms energy: -721.654414 where: bonds (distance) C4'-P energy: -139.749 bonds (distance) P-C4' energy: -129.438 flat angles C4'-P-C4' energy: -167.022 flat angles P-C4'-P energy: -106.658 tors. eta vs tors. theta energy: -178.788 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: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1875.179111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.179111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.179111 (E_RNA) where: Base-Base interactions energy: -1212.892 where: short stacking energy: -562.788 Base-Backbone interact. energy: -0.475 local terms energy: -661.812317 where: bonds (distance) C4'-P energy: -145.126 bonds (distance) P-C4' energy: -133.031 flat angles C4'-P-C4' energy: -160.541 flat angles P-C4'-P energy: -76.285 tors. eta vs tors. theta energy: -146.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1489.344463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.344463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.344463 (E_RNA) where: Base-Base interactions energy: -924.826 where: short stacking energy: -416.063 Base-Backbone interact. energy: -0.963 local terms energy: -563.554651 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -135.427 flat angles C4'-P-C4' energy: -134.328 flat angles P-C4'-P energy: -95.670 tors. eta vs tors. theta energy: -69.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1141.486419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.486419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.486419 (E_RNA) where: Base-Base interactions energy: -635.028 where: short stacking energy: -313.616 Base-Backbone interact. energy: -2.191 local terms energy: -504.268091 where: bonds (distance) C4'-P energy: -134.597 bonds (distance) P-C4' energy: -137.915 flat angles C4'-P-C4' energy: -143.210 flat angles P-C4'-P energy: -76.960 tors. eta vs tors. theta energy: -11.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -897.573506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.573506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.573506 (E_RNA) where: Base-Base interactions energy: -433.387 where: short stacking energy: -254.267 Base-Backbone interact. energy: 2.565 local terms energy: -466.751500 where: bonds (distance) C4'-P energy: -137.592 bonds (distance) P-C4' energy: -134.634 flat angles C4'-P-C4' energy: -115.359 flat angles P-C4'-P energy: -70.473 tors. eta vs tors. theta energy: -8.693 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: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2856.481490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.481490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.481490 (E_RNA) where: Base-Base interactions energy: -1939.526 where: short stacking energy: -815.080 Base-Backbone interact. energy: -0.496 local terms energy: -916.459622 where: bonds (distance) C4'-P energy: -171.873 bonds (distance) P-C4' energy: -168.799 flat angles C4'-P-C4' energy: -180.959 flat angles P-C4'-P energy: -142.546 tors. eta vs tors. theta energy: -252.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2802.633363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.633363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.633363 (E_RNA) where: Base-Base interactions energy: -1942.744 where: short stacking energy: -789.463 Base-Backbone interact. energy: -1.740 local terms energy: -858.149256 where: bonds (distance) C4'-P energy: -162.056 bonds (distance) P-C4' energy: -151.279 flat angles C4'-P-C4' energy: -176.667 flat angles P-C4'-P energy: -129.038 tors. eta vs tors. theta energy: -239.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2688.429687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.429687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.429687 (E_RNA) where: Base-Base interactions energy: -1843.660 where: short stacking energy: -793.943 Base-Backbone interact. energy: 0.905 local terms energy: -845.675056 where: bonds (distance) C4'-P energy: -158.733 bonds (distance) P-C4' energy: -146.221 flat angles C4'-P-C4' energy: -179.205 flat angles P-C4'-P energy: -121.589 tors. eta vs tors. theta energy: -239.928 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: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2628.610845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.610845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.610845 (E_RNA) where: Base-Base interactions energy: -1781.197 where: short stacking energy: -749.489 Base-Backbone interact. energy: -4.369 local terms energy: -843.044806 where: bonds (distance) C4'-P energy: -148.892 bonds (distance) P-C4' energy: -154.592 flat angles C4'-P-C4' energy: -183.426 flat angles P-C4'-P energy: -122.222 tors. eta vs tors. theta energy: -233.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2549.094732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.094732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.094732 (E_RNA) where: Base-Base interactions energy: -1743.722 where: short stacking energy: -699.432 Base-Backbone interact. energy: -3.153 local terms energy: -802.220269 where: bonds (distance) C4'-P energy: -149.498 bonds (distance) P-C4' energy: -152.129 flat angles C4'-P-C4' energy: -165.971 flat angles P-C4'-P energy: -119.251 tors. eta vs tors. theta energy: -215.372 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: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2181.703640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.703640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.703640 (E_RNA) where: Base-Base interactions energy: -1458.784 where: short stacking energy: -627.538 Base-Backbone interact. energy: -4.586 local terms energy: -718.333737 where: bonds (distance) C4'-P energy: -141.877 bonds (distance) P-C4' energy: -138.764 flat angles C4'-P-C4' energy: -143.474 flat angles P-C4'-P energy: -109.328 tors. eta vs tors. theta energy: -184.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1860.876913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.876913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.876913 (E_RNA) where: Base-Base interactions energy: -1257.930 where: short stacking energy: -557.356 Base-Backbone interact. energy: -1.206 local terms energy: -601.741087 where: bonds (distance) C4'-P energy: -121.571 bonds (distance) P-C4' energy: -132.395 flat angles C4'-P-C4' energy: -134.671 flat angles P-C4'-P energy: -87.296 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: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1456.911991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.911991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.911991 (E_RNA) where: Base-Base interactions energy: -892.652 where: short stacking energy: -396.568 Base-Backbone interact. energy: -1.807 local terms energy: -562.453014 where: bonds (distance) C4'-P energy: -136.050 bonds (distance) P-C4' energy: -155.120 flat angles C4'-P-C4' energy: -109.835 flat angles P-C4'-P energy: -83.391 tors. eta vs tors. theta energy: -78.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1208.398308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.398308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.398308 (E_RNA) where: Base-Base interactions energy: -697.299 where: short stacking energy: -364.887 Base-Backbone interact. energy: -2.537 local terms energy: -508.562955 where: bonds (distance) C4'-P energy: -135.010 bonds (distance) P-C4' energy: -123.555 flat angles C4'-P-C4' energy: -140.437 flat angles P-C4'-P energy: -64.043 tors. eta vs tors. theta energy: -45.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -857.067873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.067873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.067873 (E_RNA) where: Base-Base interactions energy: -414.797 where: short stacking energy: -229.853 Base-Backbone interact. energy: 1.712 local terms energy: -443.983428 where: bonds (distance) C4'-P energy: -114.697 bonds (distance) P-C4' energy: -133.349 flat angles C4'-P-C4' energy: -127.516 flat angles P-C4'-P energy: -86.546 tors. eta vs tors. theta energy: 18.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2899.532631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.532631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.532631 (E_RNA) where: Base-Base interactions energy: -1968.987 where: short stacking energy: -853.590 Base-Backbone interact. energy: -3.624 local terms energy: -926.920964 where: bonds (distance) C4'-P energy: -168.825 bonds (distance) P-C4' energy: -171.760 flat angles C4'-P-C4' energy: -187.938 flat angles P-C4'-P energy: -137.228 tors. eta vs tors. theta energy: -261.170 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: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2797.125277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.125277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.125277 (E_RNA) where: Base-Base interactions energy: -1910.728 where: short stacking energy: -806.476 Base-Backbone interact. energy: -2.367 local terms energy: -884.030500 where: bonds (distance) C4'-P energy: -175.675 bonds (distance) P-C4' energy: -173.515 flat angles C4'-P-C4' energy: -188.906 flat angles P-C4'-P energy: -114.858 tors. eta vs tors. theta energy: -231.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2695.535764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.535764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.535764 (E_RNA) where: Base-Base interactions energy: -1833.088 where: short stacking energy: -808.439 Base-Backbone interact. energy: -4.530 local terms energy: -857.917753 where: bonds (distance) C4'-P energy: -157.152 bonds (distance) P-C4' energy: -157.544 flat angles C4'-P-C4' energy: -184.731 flat angles P-C4'-P energy: -110.174 tors. eta vs tors. theta energy: -248.316 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: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2579.600168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.600168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.600168 (E_RNA) where: Base-Base interactions energy: -1760.052 where: short stacking energy: -732.397 Base-Backbone interact. energy: -4.734 local terms energy: -814.814344 where: bonds (distance) C4'-P energy: -155.164 bonds (distance) P-C4' energy: -158.057 flat angles C4'-P-C4' energy: -171.688 flat angles P-C4'-P energy: -102.863 tors. eta vs tors. theta energy: -227.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2506.082836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.082836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.082836 (E_RNA) where: Base-Base interactions energy: -1720.271 where: short stacking energy: -738.535 Base-Backbone interact. energy: -0.142 local terms energy: -785.669332 where: bonds (distance) C4'-P energy: -140.902 bonds (distance) P-C4' energy: -143.573 flat angles C4'-P-C4' energy: -175.168 flat angles P-C4'-P energy: -110.620 tors. eta vs tors. theta energy: -215.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2193.210005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.210005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.210005 (E_RNA) where: Base-Base interactions energy: -1445.254 where: short stacking energy: -644.366 Base-Backbone interact. energy: -1.885 local terms energy: -746.070749 where: bonds (distance) C4'-P energy: -160.633 bonds (distance) P-C4' energy: -148.165 flat angles C4'-P-C4' energy: -163.646 flat angles P-C4'-P energy: -96.234 tors. eta vs tors. theta energy: -177.393 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: 7, replica: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1848.199785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.199785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.199785 (E_RNA) where: Base-Base interactions energy: -1202.224 where: short stacking energy: -509.000 Base-Backbone interact. energy: 0.835 local terms energy: -646.811237 where: bonds (distance) C4'-P energy: -136.163 bonds (distance) P-C4' energy: -147.558 flat angles C4'-P-C4' energy: -149.430 flat angles P-C4'-P energy: -90.861 tors. eta vs tors. theta energy: -122.799 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: 437 Temperature: 1.250000 Total energy: -1476.874045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.874045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.874045 (E_RNA) where: Base-Base interactions energy: -911.039 where: short stacking energy: -414.343 Base-Backbone interact. energy: 6.183 local terms energy: -572.018582 where: bonds (distance) C4'-P energy: -126.655 bonds (distance) P-C4' energy: -140.089 flat angles C4'-P-C4' energy: -140.190 flat angles P-C4'-P energy: -94.322 tors. eta vs tors. theta energy: -70.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1164.470532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.470532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.470532 (E_RNA) where: Base-Base interactions energy: -660.860 where: short stacking energy: -344.426 Base-Backbone interact. energy: 1.455 local terms energy: -505.065689 where: bonds (distance) C4'-P energy: -123.632 bonds (distance) P-C4' energy: -148.545 flat angles C4'-P-C4' energy: -110.065 flat angles P-C4'-P energy: -73.032 tors. eta vs tors. theta energy: -49.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -847.341600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.341600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.341600 (E_RNA) where: Base-Base interactions energy: -386.672 where: short stacking energy: -242.004 Base-Backbone interact. energy: 1.026 local terms energy: -461.695472 where: bonds (distance) C4'-P energy: -132.155 bonds (distance) P-C4' energy: -142.266 flat angles C4'-P-C4' energy: -113.426 flat angles P-C4'-P energy: -74.141 tors. eta vs tors. theta energy: 0.292 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: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2910.148254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.148254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.148254 (E_RNA) where: Base-Base interactions energy: -1986.258 where: short stacking energy: -846.417 Base-Backbone interact. energy: -2.636 local terms energy: -921.254788 where: bonds (distance) C4'-P energy: -172.496 bonds (distance) P-C4' energy: -170.363 flat angles C4'-P-C4' energy: -188.778 flat angles P-C4'-P energy: -127.412 tors. eta vs tors. theta energy: -262.205 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: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2819.074604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.074604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.074604 (E_RNA) where: Base-Base interactions energy: -1940.301 where: short stacking energy: -806.311 Base-Backbone interact. energy: -2.560 local terms energy: -876.213399 where: bonds (distance) C4'-P energy: -169.069 bonds (distance) P-C4' energy: -161.835 flat angles C4'-P-C4' energy: -182.821 flat angles P-C4'-P energy: -119.378 tors. eta vs tors. theta energy: -243.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2695.781389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.781389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.781389 (E_RNA) where: Base-Base interactions energy: -1858.237 where: short stacking energy: -787.559 Base-Backbone interact. energy: -2.654 local terms energy: -834.890174 where: bonds (distance) C4'-P energy: -141.191 bonds (distance) P-C4' energy: -155.367 flat angles C4'-P-C4' energy: -178.855 flat angles P-C4'-P energy: -127.845 tors. eta vs tors. theta energy: -231.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2539.511011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.511011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.511011 (E_RNA) where: Base-Base interactions energy: -1689.481 where: short stacking energy: -738.022 Base-Backbone interact. energy: -1.482 local terms energy: -848.548277 where: bonds (distance) C4'-P energy: -161.412 bonds (distance) P-C4' energy: -156.047 flat angles C4'-P-C4' energy: -173.578 flat angles P-C4'-P energy: -129.424 tors. eta vs tors. theta energy: -228.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2420.348135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.348135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.348135 (E_RNA) where: Base-Base interactions energy: -1657.074 where: short stacking energy: -705.594 Base-Backbone interact. energy: -3.365 local terms energy: -759.909004 where: bonds (distance) C4'-P energy: -132.243 bonds (distance) P-C4' energy: -141.901 flat angles C4'-P-C4' energy: -178.543 flat angles P-C4'-P energy: -106.877 tors. eta vs tors. theta energy: -200.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2193.536036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.536036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.536036 (E_RNA) where: Base-Base interactions energy: -1471.981 where: short stacking energy: -659.026 Base-Backbone interact. energy: -2.747 local terms energy: -718.807689 where: bonds (distance) C4'-P energy: -144.144 bonds (distance) P-C4' energy: -146.349 flat angles C4'-P-C4' energy: -161.082 flat angles P-C4'-P energy: -99.720 tors. eta vs tors. theta energy: -167.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1861.339400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.339400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.339400 (E_RNA) where: Base-Base interactions energy: -1230.801 where: short stacking energy: -535.723 Base-Backbone interact. energy: -1.125 local terms energy: -629.412686 where: bonds (distance) C4'-P energy: -134.730 bonds (distance) P-C4' energy: -145.412 flat angles C4'-P-C4' energy: -147.312 flat angles P-C4'-P energy: -75.743 tors. eta vs tors. theta energy: -126.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1465.043663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.043663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.043663 (E_RNA) where: Base-Base interactions energy: -901.733 where: short stacking energy: -400.674 Base-Backbone interact. energy: -3.989 local terms energy: -559.321045 where: bonds (distance) C4'-P energy: -136.979 bonds (distance) P-C4' energy: -150.069 flat angles C4'-P-C4' energy: -124.247 flat angles P-C4'-P energy: -79.091 tors. eta vs tors. theta energy: -68.935 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: 438 Temperature: 1.300000 Total energy: -1137.255187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.255187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.255187 (E_RNA) where: Base-Base interactions energy: -642.380 where: short stacking energy: -322.151 Base-Backbone interact. energy: 3.012 local terms energy: -497.887339 where: bonds (distance) C4'-P energy: -139.168 bonds (distance) P-C4' energy: -121.803 flat angles C4'-P-C4' energy: -129.613 flat angles P-C4'-P energy: -76.938 tors. eta vs tors. theta energy: -30.366 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: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -854.601057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.601057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.601057 (E_RNA) where: Base-Base interactions energy: -440.570 where: short stacking energy: -229.881 Base-Backbone interact. energy: 3.401 local terms energy: -417.432162 where: bonds (distance) C4'-P energy: -143.066 bonds (distance) P-C4' energy: -135.847 flat angles C4'-P-C4' energy: -76.647 flat angles P-C4'-P energy: -77.482 tors. eta vs tors. theta energy: 15.611 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: 1, replica: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2917.853606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.853606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.853606 (E_RNA) where: Base-Base interactions energy: -2030.131 where: short stacking energy: -882.360 Base-Backbone interact. energy: -3.552 local terms energy: -884.169898 where: bonds (distance) C4'-P energy: -164.415 bonds (distance) P-C4' energy: -151.053 flat angles C4'-P-C4' energy: -190.738 flat angles P-C4'-P energy: -121.708 tors. eta vs tors. theta energy: -256.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2816.026162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.026162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.026162 (E_RNA) where: Base-Base interactions energy: -1951.278 where: short stacking energy: -809.801 Base-Backbone interact. energy: 1.565 local terms energy: -866.313555 where: bonds (distance) C4'-P energy: -158.616 bonds (distance) P-C4' energy: -171.183 flat angles C4'-P-C4' energy: -179.427 flat angles P-C4'-P energy: -125.283 tors. eta vs tors. theta energy: -231.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2679.131888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.131888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.131888 (E_RNA) where: Base-Base interactions energy: -1797.382 where: short stacking energy: -783.734 Base-Backbone interact. energy: -3.135 local terms energy: -878.614665 where: bonds (distance) C4'-P energy: -169.605 bonds (distance) P-C4' energy: -156.273 flat angles C4'-P-C4' energy: -178.443 flat angles P-C4'-P energy: -125.897 tors. eta vs tors. theta energy: -248.396 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: 9 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2570.128520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.128520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.128520 (E_RNA) where: Base-Base interactions energy: -1736.851 where: short stacking energy: -714.278 Base-Backbone interact. energy: -0.143 local terms energy: -833.134894 where: bonds (distance) C4'-P energy: -147.410 bonds (distance) P-C4' energy: -160.894 flat angles C4'-P-C4' energy: -189.920 flat angles P-C4'-P energy: -106.225 tors. eta vs tors. theta energy: -228.685 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: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2491.640487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.640487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.640487 (E_RNA) where: Base-Base interactions energy: -1705.308 where: short stacking energy: -712.296 Base-Backbone interact. energy: -5.647 local terms energy: -780.686088 where: bonds (distance) C4'-P energy: -148.150 bonds (distance) P-C4' energy: -145.106 flat angles C4'-P-C4' energy: -168.799 flat angles P-C4'-P energy: -105.692 tors. eta vs tors. theta energy: -212.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2223.374221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.374221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.374221 (E_RNA) where: Base-Base interactions energy: -1487.719 where: short stacking energy: -662.779 Base-Backbone interact. energy: -1.989 local terms energy: -733.667018 where: bonds (distance) C4'-P energy: -114.395 bonds (distance) P-C4' energy: -163.911 flat angles C4'-P-C4' energy: -158.773 flat angles P-C4'-P energy: -106.733 tors. eta vs tors. theta energy: -189.854 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: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1890.262128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.262128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.262128 (E_RNA) where: Base-Base interactions energy: -1229.629 where: short stacking energy: -531.613 Base-Backbone interact. energy: 0.888 local terms energy: -661.521211 where: bonds (distance) C4'-P energy: -125.205 bonds (distance) P-C4' energy: -145.979 flat angles C4'-P-C4' energy: -159.032 flat angles P-C4'-P energy: -97.514 tors. eta vs tors. theta energy: -133.791 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: 439 Temperature: 1.250000 Total energy: -1471.024825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.024825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.024825 (E_RNA) where: Base-Base interactions energy: -939.844 where: short stacking energy: -439.154 Base-Backbone interact. energy: 1.270 local terms energy: -532.450795 where: bonds (distance) C4'-P energy: -137.170 bonds (distance) P-C4' energy: -114.258 flat angles C4'-P-C4' energy: -136.411 flat angles P-C4'-P energy: -69.160 tors. eta vs tors. theta energy: -75.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1123.912125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.912125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.912125 (E_RNA) where: Base-Base interactions energy: -636.632 where: short stacking energy: -350.462 Base-Backbone interact. energy: -2.424 local terms energy: -484.855793 where: bonds (distance) C4'-P energy: -119.074 bonds (distance) P-C4' energy: -129.143 flat angles C4'-P-C4' energy: -124.948 flat angles P-C4'-P energy: -71.343 tors. eta vs tors. theta energy: -40.348 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: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -798.218964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.218964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.218964 (E_RNA) where: Base-Base interactions energy: -371.611 where: short stacking energy: -205.726 Base-Backbone interact. energy: -3.832 local terms energy: -422.776096 where: bonds (distance) C4'-P energy: -158.956 bonds (distance) P-C4' energy: -142.866 flat angles C4'-P-C4' energy: -105.511 flat angles P-C4'-P energy: -57.206 tors. eta vs tors. theta energy: 41.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2920.567712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.567712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.567712 (E_RNA) where: Base-Base interactions energy: -2003.174 where: short stacking energy: -830.767 Base-Backbone interact. energy: -1.755 local terms energy: -915.639112 where: bonds (distance) C4'-P energy: -172.542 bonds (distance) P-C4' energy: -181.184 flat angles C4'-P-C4' energy: -185.404 flat angles P-C4'-P energy: -125.266 tors. eta vs tors. theta energy: -251.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2827.245835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.245835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.245835 (E_RNA) where: Base-Base interactions energy: -1960.126 where: short stacking energy: -812.097 Base-Backbone interact. energy: -2.074 local terms energy: -865.046693 where: bonds (distance) C4'-P energy: -160.219 bonds (distance) P-C4' energy: -163.139 flat angles C4'-P-C4' energy: -189.029 flat angles P-C4'-P energy: -115.968 tors. eta vs tors. theta energy: -236.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2703.164194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.164194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.164194 (E_RNA) where: Base-Base interactions energy: -1842.151 where: short stacking energy: -790.533 Base-Backbone interact. energy: -1.242 local terms energy: -859.770888 where: bonds (distance) C4'-P energy: -153.340 bonds (distance) P-C4' energy: -157.535 flat angles C4'-P-C4' energy: -182.309 flat angles P-C4'-P energy: -125.289 tors. eta vs tors. theta energy: -241.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2553.860387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.860387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.860387 (E_RNA) where: Base-Base interactions energy: -1736.081 where: short stacking energy: -738.022 Base-Backbone interact. energy: -3.751 local terms energy: -814.027897 where: bonds (distance) C4'-P energy: -160.107 bonds (distance) P-C4' energy: -162.529 flat angles C4'-P-C4' energy: -177.515 flat angles P-C4'-P energy: -98.400 tors. eta vs tors. theta energy: -215.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2454.537874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.537874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.537874 (E_RNA) where: Base-Base interactions energy: -1679.572 where: short stacking energy: -706.122 Base-Backbone interact. energy: 0.783 local terms energy: -775.748793 where: bonds (distance) C4'-P energy: -146.518 bonds (distance) P-C4' energy: -156.914 flat angles C4'-P-C4' energy: -173.999 flat angles P-C4'-P energy: -99.564 tors. eta vs tors. theta energy: -198.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2256.244279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.244279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.244279 (E_RNA) where: Base-Base interactions energy: -1527.153 where: short stacking energy: -663.524 Base-Backbone interact. energy: -1.453 local terms energy: -727.638287 where: bonds (distance) C4'-P energy: -142.371 bonds (distance) P-C4' energy: -126.474 flat angles C4'-P-C4' energy: -158.173 flat angles P-C4'-P energy: -97.039 tors. eta vs tors. theta energy: -203.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1948.154404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.154404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.154404 (E_RNA) where: Base-Base interactions energy: -1276.169 where: short stacking energy: -544.126 Base-Backbone interact. energy: 2.119 local terms energy: -674.104389 where: bonds (distance) C4'-P energy: -153.361 bonds (distance) P-C4' energy: -150.181 flat angles C4'-P-C4' energy: -145.300 flat angles P-C4'-P energy: -105.506 tors. eta vs tors. theta energy: -119.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1494.003600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.003600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.003600 (E_RNA) where: Base-Base interactions energy: -923.980 where: short stacking energy: -410.087 Base-Backbone interact. energy: 0.459 local terms energy: -570.482085 where: bonds (distance) C4'-P energy: -145.132 bonds (distance) P-C4' energy: -137.791 flat angles C4'-P-C4' energy: -118.115 flat angles P-C4'-P energy: -93.814 tors. eta vs tors. theta energy: -75.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1127.808540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.808540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.808540 (E_RNA) where: Base-Base interactions energy: -647.287 where: short stacking energy: -339.998 Base-Backbone interact. energy: 2.401 local terms energy: -482.922407 where: bonds (distance) C4'-P energy: -134.077 bonds (distance) P-C4' energy: -113.013 flat angles C4'-P-C4' energy: -136.702 flat angles P-C4'-P energy: -69.380 tors. eta vs tors. theta energy: -29.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -949.684251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.684251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.684251 (E_RNA) where: Base-Base interactions energy: -475.862 where: short stacking energy: -247.869 Base-Backbone interact. energy: 3.410 local terms energy: -477.231990 where: bonds (distance) C4'-P energy: -133.408 bonds (distance) P-C4' energy: -137.988 flat angles C4'-P-C4' energy: -134.442 flat angles P-C4'-P energy: -67.976 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2878.419102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.419102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.419102 (E_RNA) where: Base-Base interactions energy: -1980.098 where: short stacking energy: -839.273 Base-Backbone interact. energy: 2.924 local terms energy: -901.244941 where: bonds (distance) C4'-P energy: -174.196 bonds (distance) P-C4' energy: -163.775 flat angles C4'-P-C4' energy: -184.808 flat angles P-C4'-P energy: -118.837 tors. eta vs tors. theta energy: -259.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2803.335601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.335601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.335601 (E_RNA) where: Base-Base interactions energy: -1920.662 where: short stacking energy: -782.505 Base-Backbone interact. energy: -1.470 local terms energy: -881.203206 where: bonds (distance) C4'-P energy: -166.696 bonds (distance) P-C4' energy: -153.895 flat angles C4'-P-C4' energy: -190.042 flat angles P-C4'-P energy: -131.685 tors. eta vs tors. theta energy: -238.885 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: 441 Temperature: 1.000000 Total energy: -2727.105083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.105083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.105083 (E_RNA) where: Base-Base interactions energy: -1868.573 where: short stacking energy: -785.684 Base-Backbone interact. energy: -4.784 local terms energy: -853.748090 where: bonds (distance) C4'-P energy: -159.842 bonds (distance) P-C4' energy: -149.070 flat angles C4'-P-C4' energy: -185.202 flat angles P-C4'-P energy: -113.115 tors. eta vs tors. theta energy: -246.519 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: 9 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2557.618495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.618495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.618495 (E_RNA) where: Base-Base interactions energy: -1711.699 where: short stacking energy: -759.910 Base-Backbone interact. energy: -3.760 local terms energy: -842.159485 where: bonds (distance) C4'-P energy: -150.988 bonds (distance) P-C4' energy: -159.023 flat angles C4'-P-C4' energy: -177.182 flat angles P-C4'-P energy: -110.841 tors. eta vs tors. theta energy: -244.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2431.168386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.168386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.168386 (E_RNA) where: Base-Base interactions energy: -1629.815 where: short stacking energy: -685.881 Base-Backbone interact. energy: -0.368 local terms energy: -800.984868 where: bonds (distance) C4'-P energy: -158.565 bonds (distance) P-C4' energy: -161.136 flat angles C4'-P-C4' energy: -184.650 flat angles P-C4'-P energy: -99.851 tors. eta vs tors. theta energy: -196.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2279.606886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.606886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.606886 (E_RNA) where: Base-Base interactions energy: -1504.019 where: short stacking energy: -648.535 Base-Backbone interact. energy: 1.948 local terms energy: -777.535240 where: bonds (distance) C4'-P energy: -148.193 bonds (distance) P-C4' energy: -166.307 flat angles C4'-P-C4' energy: -165.583 flat angles P-C4'-P energy: -100.896 tors. eta vs tors. theta energy: -196.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1903.717027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.717027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.717027 (E_RNA) where: Base-Base interactions energy: -1238.176 where: short stacking energy: -518.205 Base-Backbone interact. energy: -0.271 local terms energy: -665.269672 where: bonds (distance) C4'-P energy: -149.029 bonds (distance) P-C4' energy: -147.836 flat angles C4'-P-C4' energy: -149.124 flat angles P-C4'-P energy: -96.311 tors. eta vs tors. theta energy: -122.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1550.855371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.855371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.855371 (E_RNA) where: Base-Base interactions energy: -940.231 where: short stacking energy: -451.812 Base-Backbone interact. energy: -4.253 local terms energy: -606.370866 where: bonds (distance) C4'-P energy: -142.889 bonds (distance) P-C4' energy: -147.530 flat angles C4'-P-C4' energy: -128.650 flat angles P-C4'-P energy: -101.750 tors. eta vs tors. theta energy: -85.551 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: 441 Temperature: 1.300000 Total energy: -1144.915864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.915864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.915864 (E_RNA) where: Base-Base interactions energy: -624.013 where: short stacking energy: -286.041 Base-Backbone interact. energy: -1.515 local terms energy: -519.388092 where: bonds (distance) C4'-P energy: -133.956 bonds (distance) P-C4' energy: -156.205 flat angles C4'-P-C4' energy: -109.339 flat angles P-C4'-P energy: -83.556 tors. eta vs tors. theta energy: -36.332 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: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -951.044485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.044485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.044485 (E_RNA) where: Base-Base interactions energy: -502.933 where: short stacking energy: -254.796 Base-Backbone interact. energy: -1.167 local terms energy: -446.944162 where: bonds (distance) C4'-P energy: -117.808 bonds (distance) P-C4' energy: -134.620 flat angles C4'-P-C4' energy: -117.376 flat angles P-C4'-P energy: -69.252 tors. eta vs tors. theta energy: -7.888 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: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2902.178940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.178940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.178940 (E_RNA) where: Base-Base interactions energy: -1993.660 where: short stacking energy: -820.152 Base-Backbone interact. energy: -4.590 local terms energy: -903.928953 where: bonds (distance) C4'-P energy: -171.570 bonds (distance) P-C4' energy: -167.041 flat angles C4'-P-C4' energy: -189.785 flat angles P-C4'-P energy: -123.931 tors. eta vs tors. theta energy: -251.601 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: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2836.505500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.505500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.505500 (E_RNA) where: Base-Base interactions energy: -1964.935 where: short stacking energy: -816.000 Base-Backbone interact. energy: -4.397 local terms energy: -867.173958 where: bonds (distance) C4'-P energy: -170.807 bonds (distance) P-C4' energy: -150.977 flat angles C4'-P-C4' energy: -184.882 flat angles P-C4'-P energy: -112.348 tors. eta vs tors. theta energy: -248.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2702.031226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.031226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.031226 (E_RNA) where: Base-Base interactions energy: -1859.260 where: short stacking energy: -778.501 Base-Backbone interact. energy: -1.884 local terms energy: -840.886953 where: bonds (distance) C4'-P energy: -149.314 bonds (distance) P-C4' energy: -161.483 flat angles C4'-P-C4' energy: -176.946 flat angles P-C4'-P energy: -126.056 tors. eta vs tors. theta energy: -227.088 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: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2627.456358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.456358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.456358 (E_RNA) where: Base-Base interactions energy: -1786.665 where: short stacking energy: -795.035 Base-Backbone interact. energy: -1.901 local terms energy: -838.890512 where: bonds (distance) C4'-P energy: -155.671 bonds (distance) P-C4' energy: -147.272 flat angles C4'-P-C4' energy: -187.536 flat angles P-C4'-P energy: -109.711 tors. eta vs tors. theta energy: -238.701 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: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2456.139119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.139119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.139119 (E_RNA) where: Base-Base interactions energy: -1679.074 where: short stacking energy: -691.081 Base-Backbone interact. energy: -6.528 local terms energy: -770.537789 where: bonds (distance) C4'-P energy: -146.848 bonds (distance) P-C4' energy: -138.537 flat angles C4'-P-C4' energy: -171.638 flat angles P-C4'-P energy: -122.135 tors. eta vs tors. theta energy: -191.380 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: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2325.724662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.724662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.724662 (E_RNA) where: Base-Base interactions energy: -1557.249 where: short stacking energy: -677.182 Base-Backbone interact. energy: -2.504 local terms energy: -765.972139 where: bonds (distance) C4'-P energy: -149.456 bonds (distance) P-C4' energy: -146.551 flat angles C4'-P-C4' energy: -178.343 flat angles P-C4'-P energy: -94.890 tors. eta vs tors. theta energy: -196.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1948.567375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.567375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.567375 (E_RNA) where: Base-Base interactions energy: -1276.269 where: short stacking energy: -545.711 Base-Backbone interact. energy: 1.562 local terms energy: -673.859878 where: bonds (distance) C4'-P energy: -149.164 bonds (distance) P-C4' energy: -119.404 flat angles C4'-P-C4' energy: -174.039 flat angles P-C4'-P energy: -84.421 tors. eta vs tors. theta energy: -146.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1543.870409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.870409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.870409 (E_RNA) where: Base-Base interactions energy: -976.222 where: short stacking energy: -457.935 Base-Backbone interact. energy: 2.046 local terms energy: -569.694733 where: bonds (distance) C4'-P energy: -127.513 bonds (distance) P-C4' energy: -141.523 flat angles C4'-P-C4' energy: -121.385 flat angles P-C4'-P energy: -94.071 tors. eta vs tors. theta energy: -85.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1199.448866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.448866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.448866 (E_RNA) where: Base-Base interactions energy: -680.512 where: short stacking energy: -328.521 Base-Backbone interact. energy: 1.649 local terms energy: -520.585810 where: bonds (distance) C4'-P energy: -126.148 bonds (distance) P-C4' energy: -145.138 flat angles C4'-P-C4' energy: -130.746 flat angles P-C4'-P energy: -74.233 tors. eta vs tors. theta energy: -44.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -879.240628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.240628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.240628 (E_RNA) where: Base-Base interactions energy: -477.917 where: short stacking energy: -249.215 Base-Backbone interact. energy: -2.440 local terms energy: -398.883432 where: bonds (distance) C4'-P energy: -109.556 bonds (distance) P-C4' energy: -150.191 flat angles C4'-P-C4' energy: -104.364 flat angles P-C4'-P energy: -58.411 tors. eta vs tors. theta energy: 23.639 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: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2874.942590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.942590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.942590 (E_RNA) where: Base-Base interactions energy: -1983.344 where: short stacking energy: -837.497 Base-Backbone interact. energy: -4.551 local terms energy: -887.047085 where: bonds (distance) C4'-P energy: -166.645 bonds (distance) P-C4' energy: -177.957 flat angles C4'-P-C4' energy: -181.721 flat angles P-C4'-P energy: -113.256 tors. eta vs tors. theta energy: -247.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2852.728479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.728479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.728479 (E_RNA) where: Base-Base interactions energy: -1999.882 where: short stacking energy: -819.127 Base-Backbone interact. energy: -4.262 local terms energy: -848.584866 where: bonds (distance) C4'-P energy: -140.120 bonds (distance) P-C4' energy: -153.296 flat angles C4'-P-C4' energy: -182.899 flat angles P-C4'-P energy: -128.999 tors. eta vs tors. theta energy: -243.271 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: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2707.181033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.181033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.181033 (E_RNA) where: Base-Base interactions energy: -1836.950 where: short stacking energy: -784.089 Base-Backbone interact. energy: -3.265 local terms energy: -866.966131 where: bonds (distance) C4'-P energy: -173.948 bonds (distance) P-C4' energy: -162.019 flat angles C4'-P-C4' energy: -174.966 flat angles P-C4'-P energy: -114.344 tors. eta vs tors. theta energy: -241.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2599.682445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.682445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.682445 (E_RNA) where: Base-Base interactions energy: -1786.006 where: short stacking energy: -747.383 Base-Backbone interact. energy: -1.868 local terms energy: -811.808271 where: bonds (distance) C4'-P energy: -161.516 bonds (distance) P-C4' energy: -125.436 flat angles C4'-P-C4' energy: -181.586 flat angles P-C4'-P energy: -121.145 tors. eta vs tors. theta energy: -222.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2481.641515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.641515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.641515 (E_RNA) where: Base-Base interactions energy: -1686.371 where: short stacking energy: -692.572 Base-Backbone interact. energy: -1.275 local terms energy: -793.994729 where: bonds (distance) C4'-P energy: -147.080 bonds (distance) P-C4' energy: -161.783 flat angles C4'-P-C4' energy: -181.262 flat angles P-C4'-P energy: -102.697 tors. eta vs tors. theta energy: -201.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2214.470211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.470211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.470211 (E_RNA) where: Base-Base interactions energy: -1500.983 where: short stacking energy: -653.500 Base-Backbone interact. energy: -0.571 local terms energy: -712.916769 where: bonds (distance) C4'-P energy: -125.103 bonds (distance) P-C4' energy: -141.466 flat angles C4'-P-C4' energy: -158.629 flat angles P-C4'-P energy: -93.570 tors. eta vs tors. theta energy: -194.149 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: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1983.259133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.259133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.259133 (E_RNA) where: Base-Base interactions energy: -1296.927 where: short stacking energy: -601.777 Base-Backbone interact. energy: -1.293 local terms energy: -685.038402 where: bonds (distance) C4'-P energy: -131.661 bonds (distance) P-C4' energy: -121.148 flat angles C4'-P-C4' energy: -156.188 flat angles P-C4'-P energy: -119.287 tors. eta vs tors. theta energy: -156.754 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: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1588.666439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.666439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.666439 (E_RNA) where: Base-Base interactions energy: -1030.060 where: short stacking energy: -477.448 Base-Backbone interact. energy: 1.535 local terms energy: -560.142050 where: bonds (distance) C4'-P energy: -118.544 bonds (distance) P-C4' energy: -138.250 flat angles C4'-P-C4' energy: -135.888 flat angles P-C4'-P energy: -73.859 tors. eta vs tors. theta energy: -93.601 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: 443 Temperature: 1.300000 Total energy: -1127.613508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.613508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.613508 (E_RNA) where: Base-Base interactions energy: -611.656 where: short stacking energy: -301.890 Base-Backbone interact. energy: 4.032 local terms energy: -519.989655 where: bonds (distance) C4'-P energy: -143.951 bonds (distance) P-C4' energy: -144.130 flat angles C4'-P-C4' energy: -131.686 flat angles P-C4'-P energy: -83.125 tors. eta vs tors. theta energy: -17.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -926.033499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.033499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.033499 (E_RNA) where: Base-Base interactions energy: -467.986 where: short stacking energy: -245.887 Base-Backbone interact. energy: 6.836 local terms energy: -464.883692 where: bonds (distance) C4'-P energy: -126.469 bonds (distance) P-C4' energy: -134.903 flat angles C4'-P-C4' energy: -120.552 flat angles P-C4'-P energy: -72.655 tors. eta vs tors. theta energy: -10.305 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: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2955.043298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.043298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.043298 (E_RNA) where: Base-Base interactions energy: -2077.853 where: short stacking energy: -832.962 Base-Backbone interact. energy: -4.237 local terms energy: -872.953454 where: bonds (distance) C4'-P energy: -158.864 bonds (distance) P-C4' energy: -159.298 flat angles C4'-P-C4' energy: -188.679 flat angles P-C4'-P energy: -122.516 tors. eta vs tors. theta energy: -243.598 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: 3 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2798.209543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.209543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.209543 (E_RNA) where: Base-Base interactions energy: -1910.245 where: short stacking energy: -791.368 Base-Backbone interact. energy: -1.348 local terms energy: -886.616728 where: bonds (distance) C4'-P energy: -165.930 bonds (distance) P-C4' energy: -172.346 flat angles C4'-P-C4' energy: -191.900 flat angles P-C4'-P energy: -115.576 tors. eta vs tors. theta energy: -240.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2707.824597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.824597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.824597 (E_RNA) where: Base-Base interactions energy: -1826.488 where: short stacking energy: -807.423 Base-Backbone interact. energy: -4.621 local terms energy: -876.715535 where: bonds (distance) C4'-P energy: -140.431 bonds (distance) P-C4' energy: -166.674 flat angles C4'-P-C4' energy: -188.351 flat angles P-C4'-P energy: -139.482 tors. eta vs tors. theta energy: -241.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2570.368339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.368339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.368339 (E_RNA) where: Base-Base interactions energy: -1753.355 where: short stacking energy: -742.174 Base-Backbone interact. energy: -0.131 local terms energy: -816.882542 where: bonds (distance) C4'-P energy: -147.832 bonds (distance) P-C4' energy: -148.774 flat angles C4'-P-C4' energy: -181.151 flat angles P-C4'-P energy: -114.130 tors. eta vs tors. theta energy: -224.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2450.672720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.672720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.672720 (E_RNA) where: Base-Base interactions energy: -1689.838 where: short stacking energy: -706.639 Base-Backbone interact. energy: -0.435 local terms energy: -760.398989 where: bonds (distance) C4'-P energy: -147.548 bonds (distance) P-C4' energy: -131.159 flat angles C4'-P-C4' energy: -174.280 flat angles P-C4'-P energy: -114.898 tors. eta vs tors. theta energy: -192.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2206.277948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.277948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.277948 (E_RNA) where: Base-Base interactions energy: -1445.411 where: short stacking energy: -620.347 Base-Backbone interact. energy: 1.510 local terms energy: -762.377282 where: bonds (distance) C4'-P energy: -137.828 bonds (distance) P-C4' energy: -148.555 flat angles C4'-P-C4' energy: -178.132 flat angles P-C4'-P energy: -108.680 tors. eta vs tors. theta energy: -189.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1980.425457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.425457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.425457 (E_RNA) where: Base-Base interactions energy: -1308.466 where: short stacking energy: -574.233 Base-Backbone interact. energy: 2.324 local terms energy: -674.284108 where: bonds (distance) C4'-P energy: -135.345 bonds (distance) P-C4' energy: -143.480 flat angles C4'-P-C4' energy: -161.401 flat angles P-C4'-P energy: -99.541 tors. eta vs tors. theta energy: -134.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1586.208930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.208930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.208930 (E_RNA) where: Base-Base interactions energy: -995.156 where: short stacking energy: -417.098 Base-Backbone interact. energy: -0.883 local terms energy: -590.169816 where: bonds (distance) C4'-P energy: -134.699 bonds (distance) P-C4' energy: -146.164 flat angles C4'-P-C4' energy: -160.700 flat angles P-C4'-P energy: -77.992 tors. eta vs tors. theta energy: -70.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1120.741536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.741536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.741536 (E_RNA) where: Base-Base interactions energy: -605.888 where: short stacking energy: -281.049 Base-Backbone interact. energy: 5.736 local terms energy: -520.589688 where: bonds (distance) C4'-P energy: -129.272 bonds (distance) P-C4' energy: -137.115 flat angles C4'-P-C4' energy: -136.803 flat angles P-C4'-P energy: -90.730 tors. eta vs tors. theta energy: -26.669 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: 10, replica: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -904.460917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.460917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.460917 (E_RNA) where: Base-Base interactions energy: -479.092 where: short stacking energy: -252.482 Base-Backbone interact. energy: 3.862 local terms energy: -429.231020 where: bonds (distance) C4'-P energy: -122.264 bonds (distance) P-C4' energy: -140.193 flat angles C4'-P-C4' energy: -134.194 flat angles P-C4'-P energy: -46.428 tors. eta vs tors. theta energy: 13.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2922.811172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.811172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.811172 (E_RNA) where: Base-Base interactions energy: -2027.513 where: short stacking energy: -822.165 Base-Backbone interact. energy: 0.332 local terms energy: -895.629938 where: bonds (distance) C4'-P energy: -158.940 bonds (distance) P-C4' energy: -173.155 flat angles C4'-P-C4' energy: -191.610 flat angles P-C4'-P energy: -127.971 tors. eta vs tors. theta energy: -243.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2814.839984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.839984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.839984 (E_RNA) where: Base-Base interactions energy: -1936.996 where: short stacking energy: -812.988 Base-Backbone interact. energy: -4.926 local terms energy: -872.917819 where: bonds (distance) C4'-P energy: -166.417 bonds (distance) P-C4' energy: -153.785 flat angles C4'-P-C4' energy: -187.034 flat angles P-C4'-P energy: -118.753 tors. eta vs tors. theta energy: -246.929 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: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2719.180078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.180078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.180078 (E_RNA) where: Base-Base interactions energy: -1845.224 where: short stacking energy: -803.294 Base-Backbone interact. energy: -3.805 local terms energy: -870.150428 where: bonds (distance) C4'-P energy: -142.285 bonds (distance) P-C4' energy: -173.697 flat angles C4'-P-C4' energy: -186.494 flat angles P-C4'-P energy: -113.866 tors. eta vs tors. theta energy: -253.808 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: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2598.419297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.419297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.419297 (E_RNA) where: Base-Base interactions energy: -1755.040 where: short stacking energy: -734.767 Base-Backbone interact. energy: -4.166 local terms energy: -839.213667 where: bonds (distance) C4'-P energy: -148.650 bonds (distance) P-C4' energy: -150.846 flat angles C4'-P-C4' energy: -190.055 flat angles P-C4'-P energy: -124.393 tors. eta vs tors. theta energy: -225.270 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: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2467.738366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.738366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.738366 (E_RNA) where: Base-Base interactions energy: -1699.295 where: short stacking energy: -722.739 Base-Backbone interact. energy: -3.076 local terms energy: -765.367586 where: bonds (distance) C4'-P energy: -125.521 bonds (distance) P-C4' energy: -154.031 flat angles C4'-P-C4' energy: -170.511 flat angles P-C4'-P energy: -121.521 tors. eta vs tors. theta energy: -193.784 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: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2229.944327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.944327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.944327 (E_RNA) where: Base-Base interactions energy: -1500.179 where: short stacking energy: -645.984 Base-Backbone interact. energy: -1.181 local terms energy: -728.584656 where: bonds (distance) C4'-P energy: -142.273 bonds (distance) P-C4' energy: -154.243 flat angles C4'-P-C4' energy: -154.279 flat angles P-C4'-P energy: -82.957 tors. eta vs tors. theta energy: -194.832 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1938.804562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.804562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.804562 (E_RNA) where: Base-Base interactions energy: -1283.839 where: short stacking energy: -571.179 Base-Backbone interact. energy: -0.091 local terms energy: -654.873981 where: bonds (distance) C4'-P energy: -137.446 bonds (distance) P-C4' energy: -144.190 flat angles C4'-P-C4' energy: -139.266 flat angles P-C4'-P energy: -98.507 tors. eta vs tors. theta energy: -135.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1629.029937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.029937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.029937 (E_RNA) where: Base-Base interactions energy: -1016.933 where: short stacking energy: -458.633 Base-Backbone interact. energy: -2.498 local terms energy: -609.599255 where: bonds (distance) C4'-P energy: -129.203 bonds (distance) P-C4' energy: -158.399 flat angles C4'-P-C4' energy: -144.752 flat angles P-C4'-P energy: -96.203 tors. eta vs tors. theta energy: -81.043 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: 445 Temperature: 1.300000 Total energy: -1145.705621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.705621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.705621 (E_RNA) where: Base-Base interactions energy: -622.397 where: short stacking energy: -308.758 Base-Backbone interact. energy: -1.738 local terms energy: -521.571069 where: bonds (distance) C4'-P energy: -132.036 bonds (distance) P-C4' energy: -153.383 flat angles C4'-P-C4' energy: -117.591 flat angles P-C4'-P energy: -96.626 tors. eta vs tors. theta energy: -21.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -907.988745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.988745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.988745 (E_RNA) where: Base-Base interactions energy: -456.516 where: short stacking energy: -235.205 Base-Backbone interact. energy: 4.224 local terms energy: -455.696334 where: bonds (distance) C4'-P energy: -125.538 bonds (distance) P-C4' energy: -138.416 flat angles C4'-P-C4' energy: -119.148 flat angles P-C4'-P energy: -71.539 tors. eta vs tors. theta energy: -1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2957.883615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.883615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.883615 (E_RNA) where: Base-Base interactions energy: -2034.556 where: short stacking energy: -810.517 Base-Backbone interact. energy: -5.235 local terms energy: -918.092155 where: bonds (distance) C4'-P energy: -180.718 bonds (distance) P-C4' energy: -161.973 flat angles C4'-P-C4' energy: -206.266 flat angles P-C4'-P energy: -124.663 tors. eta vs tors. theta energy: -244.472 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: 3 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2812.341184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.341184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.341184 (E_RNA) where: Base-Base interactions energy: -1936.420 where: short stacking energy: -813.836 Base-Backbone interact. energy: -4.694 local terms energy: -871.227684 where: bonds (distance) C4'-P energy: -161.192 bonds (distance) P-C4' energy: -154.195 flat angles C4'-P-C4' energy: -178.408 flat angles P-C4'-P energy: -127.454 tors. eta vs tors. theta energy: -249.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2700.076453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.076453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.076453 (E_RNA) where: Base-Base interactions energy: -1871.215 where: short stacking energy: -777.933 Base-Backbone interact. energy: 2.545 local terms energy: -831.406368 where: bonds (distance) C4'-P energy: -143.629 bonds (distance) P-C4' energy: -157.816 flat angles C4'-P-C4' energy: -173.481 flat angles P-C4'-P energy: -120.029 tors. eta vs tors. theta energy: -236.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2595.670835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.670835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.670835 (E_RNA) where: Base-Base interactions energy: -1758.652 where: short stacking energy: -756.644 Base-Backbone interact. energy: -1.288 local terms energy: -835.730692 where: bonds (distance) C4'-P energy: -162.075 bonds (distance) P-C4' energy: -161.152 flat angles C4'-P-C4' energy: -170.730 flat angles P-C4'-P energy: -115.149 tors. eta vs tors. theta energy: -226.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2484.548552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.548552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.548552 (E_RNA) where: Base-Base interactions energy: -1693.912 where: short stacking energy: -736.250 Base-Backbone interact. energy: -4.319 local terms energy: -786.317581 where: bonds (distance) C4'-P energy: -134.407 bonds (distance) P-C4' energy: -144.842 flat angles C4'-P-C4' energy: -172.329 flat angles P-C4'-P energy: -121.904 tors. eta vs tors. theta energy: -212.835 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: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2212.984177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.984177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.984177 (E_RNA) where: Base-Base interactions energy: -1469.747 where: short stacking energy: -627.848 Base-Backbone interact. energy: 2.316 local terms energy: -745.553498 where: bonds (distance) C4'-P energy: -133.764 bonds (distance) P-C4' energy: -162.052 flat angles C4'-P-C4' energy: -164.877 flat angles P-C4'-P energy: -106.452 tors. eta vs tors. theta energy: -178.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2006.768381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.768381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.768381 (E_RNA) where: Base-Base interactions energy: -1299.559 where: short stacking energy: -582.342 Base-Backbone interact. energy: -1.203 local terms energy: -706.006337 where: bonds (distance) C4'-P energy: -148.589 bonds (distance) P-C4' energy: -156.338 flat angles C4'-P-C4' energy: -156.760 flat angles P-C4'-P energy: -81.129 tors. eta vs tors. theta energy: -163.190 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: 446 Temperature: 1.250000 Total energy: -1642.252830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.252830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.252830 (E_RNA) where: Base-Base interactions energy: -1036.608 where: short stacking energy: -477.817 Base-Backbone interact. energy: 0.713 local terms energy: -606.357409 where: bonds (distance) C4'-P energy: -128.754 bonds (distance) P-C4' energy: -129.667 flat angles C4'-P-C4' energy: -145.676 flat angles P-C4'-P energy: -88.470 tors. eta vs tors. theta energy: -113.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1096.220260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.220260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.220260 (E_RNA) where: Base-Base interactions energy: -614.055 where: short stacking energy: -310.784 Base-Backbone interact. energy: 0.562 local terms energy: -482.726805 where: bonds (distance) C4'-P energy: -104.028 bonds (distance) P-C4' energy: -132.862 flat angles C4'-P-C4' energy: -144.720 flat angles P-C4'-P energy: -79.956 tors. eta vs tors. theta energy: -21.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -954.358228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.358228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.358228 (E_RNA) where: Base-Base interactions energy: -502.133 where: short stacking energy: -278.070 Base-Backbone interact. energy: 3.340 local terms energy: -455.565290 where: bonds (distance) C4'-P energy: -132.227 bonds (distance) P-C4' energy: -138.119 flat angles C4'-P-C4' energy: -140.393 flat angles P-C4'-P energy: -50.833 tors. eta vs tors. theta energy: 6.006 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: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2968.957436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.957436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.957436 (E_RNA) where: Base-Base interactions energy: -2063.533 where: short stacking energy: -826.187 Base-Backbone interact. energy: -6.560 local terms energy: -898.865097 where: bonds (distance) C4'-P energy: -182.536 bonds (distance) P-C4' energy: -168.422 flat angles C4'-P-C4' energy: -180.510 flat angles P-C4'-P energy: -123.562 tors. eta vs tors. theta energy: -243.835 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: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2770.290224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.290224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.290224 (E_RNA) where: Base-Base interactions energy: -1896.387 where: short stacking energy: -785.887 Base-Backbone interact. energy: -2.816 local terms energy: -871.087660 where: bonds (distance) C4'-P energy: -166.160 bonds (distance) P-C4' energy: -154.561 flat angles C4'-P-C4' energy: -189.174 flat angles P-C4'-P energy: -120.032 tors. eta vs tors. theta energy: -241.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2686.584867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.584867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.584867 (E_RNA) where: Base-Base interactions energy: -1829.546 where: short stacking energy: -781.587 Base-Backbone interact. energy: -5.921 local terms energy: -851.117997 where: bonds (distance) C4'-P energy: -153.896 bonds (distance) P-C4' energy: -151.192 flat angles C4'-P-C4' energy: -177.249 flat angles P-C4'-P energy: -126.120 tors. eta vs tors. theta energy: -242.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2565.156621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.156621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.156621 (E_RNA) where: Base-Base interactions energy: -1733.099 where: short stacking energy: -733.932 Base-Backbone interact. energy: -1.215 local terms energy: -830.843274 where: bonds (distance) C4'-P energy: -162.222 bonds (distance) P-C4' energy: -150.096 flat angles C4'-P-C4' energy: -166.235 flat angles P-C4'-P energy: -120.460 tors. eta vs tors. theta energy: -231.830 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: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2385.641319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.641319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.641319 (E_RNA) where: Base-Base interactions energy: -1629.297 where: short stacking energy: -674.436 Base-Backbone interact. energy: -6.394 local terms energy: -749.951259 where: bonds (distance) C4'-P energy: -138.268 bonds (distance) P-C4' energy: -164.626 flat angles C4'-P-C4' energy: -167.504 flat angles P-C4'-P energy: -96.528 tors. eta vs tors. theta energy: -183.026 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: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2264.738461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.738461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.738461 (E_RNA) where: Base-Base interactions energy: -1484.213 where: short stacking energy: -630.307 Base-Backbone interact. energy: 1.901 local terms energy: -782.426056 where: bonds (distance) C4'-P energy: -145.996 bonds (distance) P-C4' energy: -162.000 flat angles C4'-P-C4' energy: -178.129 flat angles P-C4'-P energy: -103.432 tors. eta vs tors. theta energy: -192.869 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: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1911.391881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.391881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.391881 (E_RNA) where: Base-Base interactions energy: -1231.684 where: short stacking energy: -529.548 Base-Backbone interact. energy: -1.421 local terms energy: -678.287362 where: bonds (distance) C4'-P energy: -124.608 bonds (distance) P-C4' energy: -157.460 flat angles C4'-P-C4' energy: -159.920 flat angles P-C4'-P energy: -93.622 tors. eta vs tors. theta energy: -142.677 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: -1591.034413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.034413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.034413 (E_RNA) where: Base-Base interactions energy: -993.071 where: short stacking energy: -449.043 Base-Backbone interact. energy: 6.735 local terms energy: -604.698110 where: bonds (distance) C4'-P energy: -143.833 bonds (distance) P-C4' energy: -136.162 flat angles C4'-P-C4' energy: -154.042 flat angles P-C4'-P energy: -80.776 tors. eta vs tors. theta energy: -89.886 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: 9, replica: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1076.842230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.842230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.842230 (E_RNA) where: Base-Base interactions energy: -588.000 where: short stacking energy: -325.770 Base-Backbone interact. energy: 4.701 local terms energy: -493.543179 where: bonds (distance) C4'-P energy: -125.339 bonds (distance) P-C4' energy: -124.636 flat angles C4'-P-C4' energy: -148.157 flat angles P-C4'-P energy: -81.730 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: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -947.399503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.399503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.399503 (E_RNA) where: Base-Base interactions energy: -520.133 where: short stacking energy: -273.131 Base-Backbone interact. energy: -0.454 local terms energy: -426.812412 where: bonds (distance) C4'-P energy: -126.649 bonds (distance) P-C4' energy: -117.086 flat angles C4'-P-C4' energy: -113.048 flat angles P-C4'-P energy: -75.052 tors. eta vs tors. theta energy: 5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2949.816781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.816781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.816781 (E_RNA) where: Base-Base interactions energy: -2066.555 where: short stacking energy: -832.704 Base-Backbone interact. energy: -4.178 local terms energy: -879.084717 where: bonds (distance) C4'-P energy: -157.275 bonds (distance) P-C4' energy: -154.451 flat angles C4'-P-C4' energy: -189.472 flat angles P-C4'-P energy: -132.095 tors. eta vs tors. theta energy: -245.792 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: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2730.210646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.210646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.210646 (E_RNA) where: Base-Base interactions energy: -1874.255 where: short stacking energy: -807.017 Base-Backbone interact. energy: -3.375 local terms energy: -852.580766 where: bonds (distance) C4'-P energy: -143.036 bonds (distance) P-C4' energy: -158.068 flat angles C4'-P-C4' energy: -177.820 flat angles P-C4'-P energy: -128.782 tors. eta vs tors. theta energy: -244.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2710.195429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.195429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.195429 (E_RNA) where: Base-Base interactions energy: -1838.150 where: short stacking energy: -804.916 Base-Backbone interact. energy: -2.452 local terms energy: -869.592609 where: bonds (distance) C4'-P energy: -162.128 bonds (distance) P-C4' energy: -154.246 flat angles C4'-P-C4' energy: -184.811 flat angles P-C4'-P energy: -123.674 tors. eta vs tors. theta energy: -244.734 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: 9 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2561.125687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.125687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.125687 (E_RNA) where: Base-Base interactions energy: -1720.099 where: short stacking energy: -749.158 Base-Backbone interact. energy: -0.814 local terms energy: -840.213030 where: bonds (distance) C4'-P energy: -149.738 bonds (distance) P-C4' energy: -163.258 flat angles C4'-P-C4' energy: -177.080 flat angles P-C4'-P energy: -118.299 tors. eta vs tors. theta energy: -231.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2381.569452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.569452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.569452 (E_RNA) where: Base-Base interactions energy: -1622.334 where: short stacking energy: -686.369 Base-Backbone interact. energy: -6.883 local terms energy: -752.353069 where: bonds (distance) C4'-P energy: -146.594 bonds (distance) P-C4' energy: -139.788 flat angles C4'-P-C4' energy: -165.289 flat angles P-C4'-P energy: -111.221 tors. eta vs tors. theta energy: -189.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2289.966334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.966334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.966334 (E_RNA) where: Base-Base interactions energy: -1529.034 where: short stacking energy: -635.032 Base-Backbone interact. energy: -1.655 local terms energy: -759.277403 where: bonds (distance) C4'-P energy: -133.482 bonds (distance) P-C4' energy: -160.189 flat angles C4'-P-C4' energy: -150.389 flat angles P-C4'-P energy: -121.129 tors. eta vs tors. theta energy: -194.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1818.959494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.959494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.959494 (E_RNA) where: Base-Base interactions energy: -1171.233 where: short stacking energy: -533.058 Base-Backbone interact. energy: -0.143 local terms energy: -647.583355 where: bonds (distance) C4'-P energy: -138.702 bonds (distance) P-C4' energy: -129.897 flat angles C4'-P-C4' energy: -152.166 flat angles P-C4'-P energy: -92.727 tors. eta vs tors. theta energy: -134.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1634.353763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.353763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.353763 (E_RNA) where: Base-Base interactions energy: -1033.702 where: short stacking energy: -467.995 Base-Backbone interact. energy: -0.843 local terms energy: -599.808130 where: bonds (distance) C4'-P energy: -147.292 bonds (distance) P-C4' energy: -132.457 flat angles C4'-P-C4' energy: -159.550 flat angles P-C4'-P energy: -66.479 tors. eta vs tors. theta energy: -94.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1046.852568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.852568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.852568 (E_RNA) where: Base-Base interactions energy: -562.547 where: short stacking energy: -263.953 Base-Backbone interact. energy: 4.120 local terms energy: -488.425955 where: bonds (distance) C4'-P energy: -127.870 bonds (distance) P-C4' energy: -147.125 flat angles C4'-P-C4' energy: -106.852 flat angles P-C4'-P energy: -86.467 tors. eta vs tors. theta energy: -20.112 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: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -985.109364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.109364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.109364 (E_RNA) where: Base-Base interactions energy: -528.857 where: short stacking energy: -275.352 Base-Backbone interact. energy: -2.997 local terms energy: -453.255063 where: bonds (distance) C4'-P energy: -118.761 bonds (distance) P-C4' energy: -146.260 flat angles C4'-P-C4' energy: -119.754 flat angles P-C4'-P energy: -61.797 tors. eta vs tors. theta energy: -6.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2925.260000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.260000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.260000 (E_RNA) where: Base-Base interactions energy: -2011.887 where: short stacking energy: -810.174 Base-Backbone interact. energy: -5.073 local terms energy: -908.300463 where: bonds (distance) C4'-P energy: -167.634 bonds (distance) P-C4' energy: -175.785 flat angles C4'-P-C4' energy: -187.279 flat angles P-C4'-P energy: -130.874 tors. eta vs tors. theta energy: -246.729 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: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2803.568506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.568506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.568506 (E_RNA) where: Base-Base interactions energy: -1903.392 where: short stacking energy: -830.208 Base-Backbone interact. energy: -6.066 local terms energy: -894.110054 where: bonds (distance) C4'-P energy: -166.199 bonds (distance) P-C4' energy: -169.172 flat angles C4'-P-C4' energy: -188.719 flat angles P-C4'-P energy: -112.870 tors. eta vs tors. theta energy: -257.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2682.846972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.846972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.846972 (E_RNA) where: Base-Base interactions energy: -1839.734 where: short stacking energy: -755.175 Base-Backbone interact. energy: 1.244 local terms energy: -844.356568 where: bonds (distance) C4'-P energy: -162.309 bonds (distance) P-C4' energy: -152.948 flat angles C4'-P-C4' energy: -184.359 flat angles P-C4'-P energy: -110.831 tors. eta vs tors. theta energy: -233.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2563.538959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.538959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.538959 (E_RNA) where: Base-Base interactions energy: -1738.892 where: short stacking energy: -756.274 Base-Backbone interact. energy: -0.635 local terms energy: -824.011846 where: bonds (distance) C4'-P energy: -142.938 bonds (distance) P-C4' energy: -165.002 flat angles C4'-P-C4' energy: -182.176 flat angles P-C4'-P energy: -108.157 tors. eta vs tors. theta energy: -225.739 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: 5, replica: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2383.691041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.691041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.691041 (E_RNA) where: Base-Base interactions energy: -1647.109 where: short stacking energy: -692.769 Base-Backbone interact. energy: 0.591 local terms energy: -737.172690 where: bonds (distance) C4'-P energy: -147.571 bonds (distance) P-C4' energy: -142.028 flat angles C4'-P-C4' energy: -158.138 flat angles P-C4'-P energy: -108.779 tors. eta vs tors. theta energy: -180.656 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: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2244.391366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.391366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.391366 (E_RNA) where: Base-Base interactions energy: -1531.282 where: short stacking energy: -644.762 Base-Backbone interact. energy: -3.170 local terms energy: -709.940285 where: bonds (distance) C4'-P energy: -121.423 bonds (distance) P-C4' energy: -135.971 flat angles C4'-P-C4' energy: -152.989 flat angles P-C4'-P energy: -114.660 tors. eta vs tors. theta energy: -184.897 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: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1952.330421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.330421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.330421 (E_RNA) where: Base-Base interactions energy: -1284.984 where: short stacking energy: -580.155 Base-Backbone interact. energy: 0.120 local terms energy: -667.466376 where: bonds (distance) C4'-P energy: -138.971 bonds (distance) P-C4' energy: -153.226 flat angles C4'-P-C4' energy: -133.715 flat angles P-C4'-P energy: -89.419 tors. eta vs tors. theta energy: -152.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1683.159208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.159208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.159208 (E_RNA) where: Base-Base interactions energy: -1069.962 where: short stacking energy: -464.488 Base-Backbone interact. energy: 8.944 local terms energy: -622.140462 where: bonds (distance) C4'-P energy: -131.898 bonds (distance) P-C4' energy: -163.195 flat angles C4'-P-C4' energy: -138.976 flat angles P-C4'-P energy: -101.651 tors. eta vs tors. theta energy: -86.421 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: 9, replica: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1106.932900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.932900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.932900 (E_RNA) where: Base-Base interactions energy: -620.578 where: short stacking energy: -306.732 Base-Backbone interact. energy: -2.956 local terms energy: -483.399030 where: bonds (distance) C4'-P energy: -129.430 bonds (distance) P-C4' energy: -139.846 flat angles C4'-P-C4' energy: -140.144 flat angles P-C4'-P energy: -57.407 tors. eta vs tors. theta energy: -16.573 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: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1025.537519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.537519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.537519 (E_RNA) where: Base-Base interactions energy: -583.660 where: short stacking energy: -287.376 Base-Backbone interact. energy: 0.329 local terms energy: -442.205886 where: bonds (distance) C4'-P energy: -127.368 bonds (distance) P-C4' energy: -137.767 flat angles C4'-P-C4' energy: -114.040 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -1.320 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: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2947.613364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.613364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.613364 (E_RNA) where: Base-Base interactions energy: -2018.395 where: short stacking energy: -832.298 Base-Backbone interact. energy: -2.154 local terms energy: -927.064723 where: bonds (distance) C4'-P energy: -162.868 bonds (distance) P-C4' energy: -177.245 flat angles C4'-P-C4' energy: -200.330 flat angles P-C4'-P energy: -140.011 tors. eta vs tors. theta energy: -246.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2761.888297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.888297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.888297 (E_RNA) where: Base-Base interactions energy: -1884.133 where: short stacking energy: -802.006 Base-Backbone interact. energy: -0.956 local terms energy: -876.798760 where: bonds (distance) C4'-P energy: -157.917 bonds (distance) P-C4' energy: -169.667 flat angles C4'-P-C4' energy: -181.513 flat angles P-C4'-P energy: -122.504 tors. eta vs tors. theta energy: -245.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2683.125073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.125073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.125073 (E_RNA) where: Base-Base interactions energy: -1803.589 where: short stacking energy: -764.037 Base-Backbone interact. energy: 2.010 local terms energy: -881.545640 where: bonds (distance) C4'-P energy: -174.745 bonds (distance) P-C4' energy: -155.297 flat angles C4'-P-C4' energy: -194.044 flat angles P-C4'-P energy: -109.847 tors. eta vs tors. theta energy: -247.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2516.041380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.041380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.041380 (E_RNA) where: Base-Base interactions energy: -1674.242 where: short stacking energy: -739.506 Base-Backbone interact. energy: -0.522 local terms energy: -841.277681 where: bonds (distance) C4'-P energy: -146.846 bonds (distance) P-C4' energy: -162.015 flat angles C4'-P-C4' energy: -176.881 flat angles P-C4'-P energy: -136.500 tors. eta vs tors. theta energy: -219.035 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: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2378.788879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.788879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.788879 (E_RNA) where: Base-Base interactions energy: -1644.639 where: short stacking energy: -689.600 Base-Backbone interact. energy: -3.284 local terms energy: -730.866153 where: bonds (distance) C4'-P energy: -135.035 bonds (distance) P-C4' energy: -147.127 flat angles C4'-P-C4' energy: -162.199 flat angles P-C4'-P energy: -98.879 tors. eta vs tors. theta energy: -187.626 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: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2235.466979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.466979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.466979 (E_RNA) where: Base-Base interactions energy: -1476.762 where: short stacking energy: -625.999 Base-Backbone interact. energy: -0.387 local terms energy: -758.317955 where: bonds (distance) C4'-P energy: -143.062 bonds (distance) P-C4' energy: -172.132 flat angles C4'-P-C4' energy: -169.209 flat angles P-C4'-P energy: -96.254 tors. eta vs tors. theta energy: -177.660 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: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1935.838023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.838023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.838023 (E_RNA) where: Base-Base interactions energy: -1294.621 where: short stacking energy: -563.140 Base-Backbone interact. energy: 1.773 local terms energy: -642.989889 where: bonds (distance) C4'-P energy: -129.636 bonds (distance) P-C4' energy: -140.166 flat angles C4'-P-C4' energy: -144.181 flat angles P-C4'-P energy: -89.374 tors. eta vs tors. theta energy: -139.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1649.643099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.643099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.643099 (E_RNA) where: Base-Base interactions energy: -1013.424 where: short stacking energy: -463.046 Base-Backbone interact. energy: -4.210 local terms energy: -632.008786 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -152.498 flat angles C4'-P-C4' energy: -160.578 flat angles P-C4'-P energy: -98.106 tors. eta vs tors. theta energy: -87.237 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: 4 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1088.614111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.614111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.614111 (E_RNA) where: Base-Base interactions energy: -560.719 where: short stacking energy: -317.788 Base-Backbone interact. energy: 0.930 local terms energy: -528.824512 where: bonds (distance) C4'-P energy: -138.990 bonds (distance) P-C4' energy: -157.304 flat angles C4'-P-C4' energy: -120.399 flat angles P-C4'-P energy: -68.742 tors. eta vs tors. theta energy: -43.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1039.720600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.720600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.720600 (E_RNA) where: Base-Base interactions energy: -585.611 where: short stacking energy: -306.203 Base-Backbone interact. energy: 1.343 local terms energy: -455.452901 where: bonds (distance) C4'-P energy: -127.638 bonds (distance) P-C4' energy: -145.932 flat angles C4'-P-C4' energy: -111.831 flat angles P-C4'-P energy: -44.775 tors. eta vs tors. theta energy: -25.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2935.509660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.509660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.509660 (E_RNA) where: Base-Base interactions energy: -2038.802 where: short stacking energy: -830.284 Base-Backbone interact. energy: 0.234 local terms energy: -896.941117 where: bonds (distance) C4'-P energy: -149.345 bonds (distance) P-C4' energy: -170.401 flat angles C4'-P-C4' energy: -199.783 flat angles P-C4'-P energy: -128.914 tors. eta vs tors. theta energy: -248.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2757.585312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.585312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.585312 (E_RNA) where: Base-Base interactions energy: -1889.715 where: short stacking energy: -802.290 Base-Backbone interact. energy: -3.959 local terms energy: -863.911155 where: bonds (distance) C4'-P energy: -164.170 bonds (distance) P-C4' energy: -156.973 flat angles C4'-P-C4' energy: -187.327 flat angles P-C4'-P energy: -107.242 tors. eta vs tors. theta energy: -248.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2707.660775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.660775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.660775 (E_RNA) where: Base-Base interactions energy: -1836.485 where: short stacking energy: -812.878 Base-Backbone interact. energy: 6.472 local terms energy: -877.647420 where: bonds (distance) C4'-P energy: -144.816 bonds (distance) P-C4' energy: -158.379 flat angles C4'-P-C4' energy: -186.406 flat angles P-C4'-P energy: -137.580 tors. eta vs tors. theta energy: -250.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2554.832084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.832084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.832084 (E_RNA) where: Base-Base interactions energy: -1740.846 where: short stacking energy: -764.131 Base-Backbone interact. energy: -3.426 local terms energy: -810.560930 where: bonds (distance) C4'-P energy: -151.688 bonds (distance) P-C4' energy: -139.463 flat angles C4'-P-C4' energy: -162.269 flat angles P-C4'-P energy: -123.286 tors. eta vs tors. theta energy: -233.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2459.057717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.057717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.057717 (E_RNA) where: Base-Base interactions energy: -1676.888 where: short stacking energy: -725.297 Base-Backbone interact. energy: -2.721 local terms energy: -779.448630 where: bonds (distance) C4'-P energy: -156.525 bonds (distance) P-C4' energy: -172.201 flat angles C4'-P-C4' energy: -170.800 flat angles P-C4'-P energy: -107.553 tors. eta vs tors. theta energy: -172.369 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: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2242.692046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.692046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.692046 (E_RNA) where: Base-Base interactions energy: -1503.551 where: short stacking energy: -661.030 Base-Backbone interact. energy: -0.685 local terms energy: -738.455904 where: bonds (distance) C4'-P energy: -128.761 bonds (distance) P-C4' energy: -152.611 flat angles C4'-P-C4' energy: -172.402 flat angles P-C4'-P energy: -87.134 tors. eta vs tors. theta energy: -197.548 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: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1973.224223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.224223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.224223 (E_RNA) where: Base-Base interactions energy: -1266.248 where: short stacking energy: -571.737 Base-Backbone interact. energy: -0.977 local terms energy: -705.999294 where: bonds (distance) C4'-P energy: -147.845 bonds (distance) P-C4' energy: -145.707 flat angles C4'-P-C4' energy: -154.714 flat angles P-C4'-P energy: -109.740 tors. eta vs tors. theta energy: -147.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1633.523118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.523118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.523118 (E_RNA) where: Base-Base interactions energy: -1067.332 where: short stacking energy: -487.984 Base-Backbone interact. energy: 2.990 local terms energy: -569.181089 where: bonds (distance) C4'-P energy: -136.480 bonds (distance) P-C4' energy: -113.027 flat angles C4'-P-C4' energy: -128.059 flat angles P-C4'-P energy: -79.978 tors. eta vs tors. theta energy: -111.637 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: 4 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1081.461753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.461753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.461753 (E_RNA) where: Base-Base interactions energy: -584.737 where: short stacking energy: -289.563 Base-Backbone interact. energy: 3.226 local terms energy: -499.950192 where: bonds (distance) C4'-P energy: -153.780 bonds (distance) P-C4' energy: -155.735 flat angles C4'-P-C4' energy: -109.344 flat angles P-C4'-P energy: -73.806 tors. eta vs tors. theta energy: -7.285 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: 451 Temperature: 1.350000 Total energy: -1041.132862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.132862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.132862 (E_RNA) where: Base-Base interactions energy: -578.846 where: short stacking energy: -286.615 Base-Backbone interact. energy: 3.369 local terms energy: -465.655732 where: bonds (distance) C4'-P energy: -127.505 bonds (distance) P-C4' energy: -143.687 flat angles C4'-P-C4' energy: -107.063 flat angles P-C4'-P energy: -74.849 tors. eta vs tors. theta energy: -12.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2919.013364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.013364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.013364 (E_RNA) where: Base-Base interactions energy: -2007.345 where: short stacking energy: -828.139 Base-Backbone interact. energy: -5.750 local terms energy: -905.919198 where: bonds (distance) C4'-P energy: -179.394 bonds (distance) P-C4' energy: -167.958 flat angles C4'-P-C4' energy: -183.600 flat angles P-C4'-P energy: -130.715 tors. eta vs tors. theta energy: -244.252 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: 3 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2792.185363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.185363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.185363 (E_RNA) where: Base-Base interactions energy: -1886.252 where: short stacking energy: -794.950 Base-Backbone interact. energy: -3.071 local terms energy: -902.861742 where: bonds (distance) C4'-P energy: -171.479 bonds (distance) P-C4' energy: -166.860 flat angles C4'-P-C4' energy: -186.834 flat angles P-C4'-P energy: -135.575 tors. eta vs tors. theta energy: -242.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2639.704702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.704702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.704702 (E_RNA) where: Base-Base interactions energy: -1809.133 where: short stacking energy: -767.616 Base-Backbone interact. energy: -0.254 local terms energy: -830.317432 where: bonds (distance) C4'-P energy: -153.748 bonds (distance) P-C4' energy: -147.163 flat angles C4'-P-C4' energy: -172.916 flat angles P-C4'-P energy: -126.198 tors. eta vs tors. theta energy: -230.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2557.282001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.282001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.282001 (E_RNA) where: Base-Base interactions energy: -1721.800 where: short stacking energy: -747.153 Base-Backbone interact. energy: 1.533 local terms energy: -837.015202 where: bonds (distance) C4'-P energy: -135.488 bonds (distance) P-C4' energy: -165.904 flat angles C4'-P-C4' energy: -182.943 flat angles P-C4'-P energy: -129.449 tors. eta vs tors. theta energy: -223.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2394.965989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.965989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.965989 (E_RNA) where: Base-Base interactions energy: -1638.215 where: short stacking energy: -679.699 Base-Backbone interact. energy: 0.102 local terms energy: -756.853239 where: bonds (distance) C4'-P energy: -133.581 bonds (distance) P-C4' energy: -149.968 flat angles C4'-P-C4' energy: -175.773 flat angles P-C4'-P energy: -114.630 tors. eta vs tors. theta energy: -182.901 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: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2241.724588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.724588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.724588 (E_RNA) where: Base-Base interactions energy: -1519.326 where: short stacking energy: -659.107 Base-Backbone interact. energy: 2.370 local terms energy: -724.768855 where: bonds (distance) C4'-P energy: -130.738 bonds (distance) P-C4' energy: -147.189 flat angles C4'-P-C4' energy: -165.114 flat angles P-C4'-P energy: -97.848 tors. eta vs tors. theta energy: -183.880 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: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2031.125889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.125889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.125889 (E_RNA) where: Base-Base interactions energy: -1317.727 where: short stacking energy: -571.183 Base-Backbone interact. energy: -4.693 local terms energy: -708.705609 where: bonds (distance) C4'-P energy: -144.160 bonds (distance) P-C4' energy: -148.079 flat angles C4'-P-C4' energy: -173.788 flat angles P-C4'-P energy: -104.968 tors. eta vs tors. theta energy: -137.711 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: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1683.226226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.226226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.226226 (E_RNA) where: Base-Base interactions energy: -1069.867 where: short stacking energy: -451.234 Base-Backbone interact. energy: -1.187 local terms energy: -612.172198 where: bonds (distance) C4'-P energy: -130.197 bonds (distance) P-C4' energy: -133.283 flat angles C4'-P-C4' energy: -155.909 flat angles P-C4'-P energy: -90.085 tors. eta vs tors. theta energy: -102.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1067.058914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.058914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.058914 (E_RNA) where: Base-Base interactions energy: -589.304 where: short stacking energy: -310.091 Base-Backbone interact. energy: -0.290 local terms energy: -477.464986 where: bonds (distance) C4'-P energy: -119.556 bonds (distance) P-C4' energy: -121.926 flat angles C4'-P-C4' energy: -132.000 flat angles P-C4'-P energy: -77.044 tors. eta vs tors. theta energy: -26.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1055.046541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.046541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.046541 (E_RNA) where: Base-Base interactions energy: -619.945 where: short stacking energy: -297.997 Base-Backbone interact. energy: 2.218 local terms energy: -437.318822 where: bonds (distance) C4'-P energy: -123.235 bonds (distance) P-C4' energy: -112.323 flat angles C4'-P-C4' energy: -144.457 flat angles P-C4'-P energy: -49.394 tors. eta vs tors. theta energy: -7.909 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: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2959.516984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.516984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.516984 (E_RNA) where: Base-Base interactions energy: -2046.053 where: short stacking energy: -858.459 Base-Backbone interact. energy: -5.399 local terms energy: -908.064675 where: bonds (distance) C4'-P energy: -161.952 bonds (distance) P-C4' energy: -172.989 flat angles C4'-P-C4' energy: -186.274 flat angles P-C4'-P energy: -133.010 tors. eta vs tors. theta energy: -253.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2784.035072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.035072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.035072 (E_RNA) where: Base-Base interactions energy: -1909.764 where: short stacking energy: -804.657 Base-Backbone interact. energy: 2.454 local terms energy: -876.724789 where: bonds (distance) C4'-P energy: -153.312 bonds (distance) P-C4' energy: -173.731 flat angles C4'-P-C4' energy: -185.901 flat angles P-C4'-P energy: -116.092 tors. eta vs tors. theta energy: -247.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2684.019307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.019307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.019307 (E_RNA) where: Base-Base interactions energy: -1848.033 where: short stacking energy: -771.210 Base-Backbone interact. energy: 0.983 local terms energy: -836.969203 where: bonds (distance) C4'-P energy: -160.305 bonds (distance) P-C4' energy: -161.011 flat angles C4'-P-C4' energy: -181.303 flat angles P-C4'-P energy: -99.189 tors. eta vs tors. theta energy: -235.162 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: 9 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2531.837182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.837182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.837182 (E_RNA) where: Base-Base interactions energy: -1743.726 where: short stacking energy: -708.673 Base-Backbone interact. energy: -1.103 local terms energy: -787.008724 where: bonds (distance) C4'-P energy: -131.938 bonds (distance) P-C4' energy: -150.923 flat angles C4'-P-C4' energy: -182.849 flat angles P-C4'-P energy: -109.917 tors. eta vs tors. theta energy: -211.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2460.351104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.351104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.351104 (E_RNA) where: Base-Base interactions energy: -1719.885 where: short stacking energy: -718.597 Base-Backbone interact. energy: -0.642 local terms energy: -739.824199 where: bonds (distance) C4'-P energy: -131.289 bonds (distance) P-C4' energy: -146.831 flat angles C4'-P-C4' energy: -179.204 flat angles P-C4'-P energy: -94.891 tors. eta vs tors. theta energy: -187.609 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: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2263.255493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.255493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.255493 (E_RNA) where: Base-Base interactions energy: -1509.906 where: short stacking energy: -658.614 Base-Backbone interact. energy: -3.130 local terms energy: -750.219508 where: bonds (distance) C4'-P energy: -135.223 bonds (distance) P-C4' energy: -155.385 flat angles C4'-P-C4' energy: -167.532 flat angles P-C4'-P energy: -111.339 tors. eta vs tors. theta energy: -180.741 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: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1973.584278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.584278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.584278 (E_RNA) where: Base-Base interactions energy: -1278.730 where: short stacking energy: -563.218 Base-Backbone interact. energy: -3.195 local terms energy: -691.659652 where: bonds (distance) C4'-P energy: -154.603 bonds (distance) P-C4' energy: -128.108 flat angles C4'-P-C4' energy: -148.649 flat angles P-C4'-P energy: -105.111 tors. eta vs tors. theta energy: -155.189 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: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1674.316519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.316519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.316519 (E_RNA) where: Base-Base interactions energy: -1057.656 where: short stacking energy: -491.337 Base-Backbone interact. energy: 3.411 local terms energy: -620.070736 where: bonds (distance) C4'-P energy: -151.597 bonds (distance) P-C4' energy: -138.054 flat angles C4'-P-C4' energy: -159.700 flat angles P-C4'-P energy: -77.729 tors. eta vs tors. theta energy: -92.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1048.548627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.548627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.548627 (E_RNA) where: Base-Base interactions energy: -573.239 where: short stacking energy: -289.842 Base-Backbone interact. energy: 2.826 local terms energy: -478.135640 where: bonds (distance) C4'-P energy: -138.358 bonds (distance) P-C4' energy: -133.762 flat angles C4'-P-C4' energy: -131.020 flat angles P-C4'-P energy: -73.776 tors. eta vs tors. theta energy: -1.220 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: 453 Temperature: 1.350000 Total energy: -1029.702719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.702719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.702719 (E_RNA) where: Base-Base interactions energy: -584.388 where: short stacking energy: -313.828 Base-Backbone interact. energy: 0.397 local terms energy: -445.712106 where: bonds (distance) C4'-P energy: -131.500 bonds (distance) P-C4' energy: -125.081 flat angles C4'-P-C4' energy: -116.319 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: -31.212 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: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2939.327476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.327476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.327476 (E_RNA) where: Base-Base interactions energy: -2019.765 where: short stacking energy: -837.215 Base-Backbone interact. energy: -4.471 local terms energy: -915.092306 where: bonds (distance) C4'-P energy: -164.743 bonds (distance) P-C4' energy: -183.501 flat angles C4'-P-C4' energy: -191.835 flat angles P-C4'-P energy: -131.071 tors. eta vs tors. theta energy: -243.942 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: 3 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2756.001590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.001590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.001590 (E_RNA) where: Base-Base interactions energy: -1881.137 where: short stacking energy: -757.076 Base-Backbone interact. energy: -1.578 local terms energy: -873.286279 where: bonds (distance) C4'-P energy: -161.015 bonds (distance) P-C4' energy: -166.227 flat angles C4'-P-C4' energy: -180.405 flat angles P-C4'-P energy: -116.613 tors. eta vs tors. theta energy: -249.026 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: 454 Temperature: 1.000000 Total energy: -2687.221915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.221915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.221915 (E_RNA) where: Base-Base interactions energy: -1790.166 where: short stacking energy: -782.980 Base-Backbone interact. energy: -3.190 local terms energy: -893.865834 where: bonds (distance) C4'-P energy: -146.465 bonds (distance) P-C4' energy: -172.630 flat angles C4'-P-C4' energy: -188.421 flat angles P-C4'-P energy: -136.339 tors. eta vs tors. theta energy: -250.011 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: 9 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2568.629027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.629027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.629027 (E_RNA) where: Base-Base interactions energy: -1757.013 where: short stacking energy: -730.351 Base-Backbone interact. energy: -3.439 local terms energy: -808.176439 where: bonds (distance) C4'-P energy: -156.116 bonds (distance) P-C4' energy: -146.610 flat angles C4'-P-C4' energy: -176.145 flat angles P-C4'-P energy: -115.618 tors. eta vs tors. theta energy: -213.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2404.587563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.587563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.587563 (E_RNA) where: Base-Base interactions energy: -1642.299 where: short stacking energy: -676.027 Base-Backbone interact. energy: 7.914 local terms energy: -770.202802 where: bonds (distance) C4'-P energy: -156.026 bonds (distance) P-C4' energy: -160.546 flat angles C4'-P-C4' energy: -175.768 flat angles P-C4'-P energy: -104.988 tors. eta vs tors. theta energy: -172.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2249.148416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.148416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.148416 (E_RNA) where: Base-Base interactions energy: -1494.810 where: short stacking energy: -634.701 Base-Backbone interact. energy: 0.547 local terms energy: -754.885835 where: bonds (distance) C4'-P energy: -153.509 bonds (distance) P-C4' energy: -123.802 flat angles C4'-P-C4' energy: -169.420 flat angles P-C4'-P energy: -128.651 tors. eta vs tors. theta energy: -179.504 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: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2002.087665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.087665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.087665 (E_RNA) where: Base-Base interactions energy: -1328.196 where: short stacking energy: -577.572 Base-Backbone interact. energy: 3.955 local terms energy: -677.847021 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: -128.039 flat angles C4'-P-C4' energy: -143.869 flat angles P-C4'-P energy: -110.662 tors. eta vs tors. theta energy: -146.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1585.804049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.804049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.804049 (E_RNA) where: Base-Base interactions energy: -1014.040 where: short stacking energy: -438.968 Base-Backbone interact. energy: 0.368 local terms energy: -572.131380 where: bonds (distance) C4'-P energy: -135.189 bonds (distance) P-C4' energy: -136.615 flat angles C4'-P-C4' energy: -125.759 flat angles P-C4'-P energy: -95.996 tors. eta vs tors. theta energy: -78.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1071.566075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.566075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.566075 (E_RNA) where: Base-Base interactions energy: -579.965 where: short stacking energy: -299.974 Base-Backbone interact. energy: 13.277 local terms energy: -504.877943 where: bonds (distance) C4'-P energy: -129.565 bonds (distance) P-C4' energy: -128.218 flat angles C4'-P-C4' energy: -140.219 flat angles P-C4'-P energy: -82.538 tors. eta vs tors. theta energy: -24.338 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: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1040.864321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.864321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.864321 (E_RNA) where: Base-Base interactions energy: -552.683 where: short stacking energy: -283.266 Base-Backbone interact. energy: 1.824 local terms energy: -490.005658 where: bonds (distance) C4'-P energy: -129.514 bonds (distance) P-C4' energy: -118.760 flat angles C4'-P-C4' energy: -127.300 flat angles P-C4'-P energy: -87.844 tors. eta vs tors. theta energy: -26.588 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: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2939.896506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.896506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.896506 (E_RNA) where: Base-Base interactions energy: -2017.034 where: short stacking energy: -824.938 Base-Backbone interact. energy: 2.119 local terms energy: -924.981217 where: bonds (distance) C4'-P energy: -162.440 bonds (distance) P-C4' energy: -167.846 flat angles C4'-P-C4' energy: -197.911 flat angles P-C4'-P energy: -142.252 tors. eta vs tors. theta energy: -254.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2739.121437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.121437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.121437 (E_RNA) where: Base-Base interactions energy: -1868.092 where: short stacking energy: -798.451 Base-Backbone interact. energy: -0.591 local terms energy: -870.438282 where: bonds (distance) C4'-P energy: -168.348 bonds (distance) P-C4' energy: -164.179 flat angles C4'-P-C4' energy: -182.598 flat angles P-C4'-P energy: -108.149 tors. eta vs tors. theta energy: -247.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2713.529755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.529755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.529755 (E_RNA) where: Base-Base interactions energy: -1838.738 where: short stacking energy: -790.217 Base-Backbone interact. energy: -4.270 local terms energy: -870.522641 where: bonds (distance) C4'-P energy: -138.896 bonds (distance) P-C4' energy: -171.031 flat angles C4'-P-C4' energy: -187.053 flat angles P-C4'-P energy: -120.026 tors. eta vs tors. theta energy: -253.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2563.856556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.856556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.856556 (E_RNA) where: Base-Base interactions energy: -1768.654 where: short stacking energy: -737.578 Base-Backbone interact. energy: -2.902 local terms energy: -792.300701 where: bonds (distance) C4'-P energy: -150.535 bonds (distance) P-C4' energy: -145.090 flat angles C4'-P-C4' energy: -168.822 flat angles P-C4'-P energy: -101.797 tors. eta vs tors. theta energy: -226.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2418.917374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.917374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.917374 (E_RNA) where: Base-Base interactions energy: -1625.795 where: short stacking energy: -674.720 Base-Backbone interact. energy: -3.602 local terms energy: -789.520874 where: bonds (distance) C4'-P energy: -146.069 bonds (distance) P-C4' energy: -150.726 flat angles C4'-P-C4' energy: -177.646 flat angles P-C4'-P energy: -133.025 tors. eta vs tors. theta energy: -182.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2193.339551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.339551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.339551 (E_RNA) where: Base-Base interactions energy: -1460.298 where: short stacking energy: -638.430 Base-Backbone interact. energy: -0.414 local terms energy: -732.628442 where: bonds (distance) C4'-P energy: -147.064 bonds (distance) P-C4' energy: -141.481 flat angles C4'-P-C4' energy: -160.274 flat angles P-C4'-P energy: -103.067 tors. eta vs tors. theta energy: -180.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2009.939216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.939216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.939216 (E_RNA) where: Base-Base interactions energy: -1307.281 where: short stacking energy: -557.601 Base-Backbone interact. energy: -1.682 local terms energy: -700.976076 where: bonds (distance) C4'-P energy: -146.002 bonds (distance) P-C4' energy: -138.918 flat angles C4'-P-C4' energy: -178.202 flat angles P-C4'-P energy: -90.320 tors. eta vs tors. theta energy: -147.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1552.892235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.892235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.892235 (E_RNA) where: Base-Base interactions energy: -957.181 where: short stacking energy: -427.122 Base-Backbone interact. energy: -2.027 local terms energy: -593.684543 where: bonds (distance) C4'-P energy: -119.355 bonds (distance) P-C4' energy: -149.534 flat angles C4'-P-C4' energy: -142.438 flat angles P-C4'-P energy: -92.430 tors. eta vs tors. theta energy: -89.927 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: 4 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1094.086337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.086337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.086337 (E_RNA) where: Base-Base interactions energy: -594.949 where: short stacking energy: -326.357 Base-Backbone interact. energy: 4.962 local terms energy: -504.099901 where: bonds (distance) C4'-P energy: -125.695 bonds (distance) P-C4' energy: -147.239 flat angles C4'-P-C4' energy: -131.449 flat angles P-C4'-P energy: -65.061 tors. eta vs tors. theta energy: -34.656 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: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1062.024098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.024098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.024098 (E_RNA) where: Base-Base interactions energy: -585.068 where: short stacking energy: -294.247 Base-Backbone interact. energy: -1.505 local terms energy: -475.451055 where: bonds (distance) C4'-P energy: -133.098 bonds (distance) P-C4' energy: -123.793 flat angles C4'-P-C4' energy: -140.839 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2932.965642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.965642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.965642 (E_RNA) where: Base-Base interactions energy: -2040.074 where: short stacking energy: -846.340 Base-Backbone interact. energy: -3.778 local terms energy: -889.113788 where: bonds (distance) C4'-P energy: -149.984 bonds (distance) P-C4' energy: -145.599 flat angles C4'-P-C4' energy: -202.374 flat angles P-C4'-P energy: -146.850 tors. eta vs tors. theta energy: -244.308 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: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2780.008214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.008214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.008214 (E_RNA) where: Base-Base interactions energy: -1890.875 where: short stacking energy: -813.961 Base-Backbone interact. energy: -3.707 local terms energy: -885.426526 where: bonds (distance) C4'-P energy: -167.356 bonds (distance) P-C4' energy: -160.309 flat angles C4'-P-C4' energy: -182.332 flat angles P-C4'-P energy: -123.749 tors. eta vs tors. theta energy: -251.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2717.239988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.239988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.239988 (E_RNA) where: Base-Base interactions energy: -1858.279 where: short stacking energy: -793.869 Base-Backbone interact. energy: -3.973 local terms energy: -854.988639 where: bonds (distance) C4'-P energy: -144.366 bonds (distance) P-C4' energy: -165.528 flat angles C4'-P-C4' energy: -174.037 flat angles P-C4'-P energy: -124.869 tors. eta vs tors. theta energy: -246.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2578.932736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.932736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.932736 (E_RNA) where: Base-Base interactions energy: -1777.745 where: short stacking energy: -743.640 Base-Backbone interact. energy: -2.062 local terms energy: -799.125979 where: bonds (distance) C4'-P energy: -139.070 bonds (distance) P-C4' energy: -158.917 flat angles C4'-P-C4' energy: -176.866 flat angles P-C4'-P energy: -102.257 tors. eta vs tors. theta energy: -222.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2483.115379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.115379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.115379 (E_RNA) where: Base-Base interactions energy: -1701.307 where: short stacking energy: -742.929 Base-Backbone interact. energy: -0.255 local terms energy: -781.553767 where: bonds (distance) C4'-P energy: -145.117 bonds (distance) P-C4' energy: -167.456 flat angles C4'-P-C4' energy: -165.530 flat angles P-C4'-P energy: -105.992 tors. eta vs tors. theta energy: -197.459 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: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2209.037890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.037890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.037890 (E_RNA) where: Base-Base interactions energy: -1490.875 where: short stacking energy: -625.969 Base-Backbone interact. energy: -1.911 local terms energy: -716.251121 where: bonds (distance) C4'-P energy: -139.263 bonds (distance) P-C4' energy: -130.498 flat angles C4'-P-C4' energy: -165.505 flat angles P-C4'-P energy: -105.616 tors. eta vs tors. theta energy: -175.369 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: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1968.668182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.668182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.668182 (E_RNA) where: Base-Base interactions energy: -1303.158 where: short stacking energy: -593.603 Base-Backbone interact. energy: -0.219 local terms energy: -665.291986 where: bonds (distance) C4'-P energy: -135.155 bonds (distance) P-C4' energy: -119.742 flat angles C4'-P-C4' energy: -135.597 flat angles P-C4'-P energy: -114.576 tors. eta vs tors. theta energy: -160.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1517.093890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.093890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.093890 (E_RNA) where: Base-Base interactions energy: -939.190 where: short stacking energy: -414.087 Base-Backbone interact. energy: -0.449 local terms energy: -577.455048 where: bonds (distance) C4'-P energy: -128.825 bonds (distance) P-C4' energy: -140.132 flat angles C4'-P-C4' energy: -145.550 flat angles P-C4'-P energy: -72.838 tors. eta vs tors. theta energy: -90.109 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: 456 Temperature: 1.300000 Total energy: -1101.093512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.093512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.093512 (E_RNA) where: Base-Base interactions energy: -612.513 where: short stacking energy: -304.559 Base-Backbone interact. energy: 7.531 local terms energy: -496.110840 where: bonds (distance) C4'-P energy: -133.783 bonds (distance) P-C4' energy: -129.338 flat angles C4'-P-C4' energy: -132.168 flat angles P-C4'-P energy: -74.104 tors. eta vs tors. theta energy: -26.718 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: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1017.617917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.617917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.617917 (E_RNA) where: Base-Base interactions energy: -561.846 where: short stacking energy: -304.133 Base-Backbone interact. energy: 3.682 local terms energy: -459.453828 where: bonds (distance) C4'-P energy: -116.090 bonds (distance) P-C4' energy: -139.911 flat angles C4'-P-C4' energy: -126.066 flat angles P-C4'-P energy: -62.046 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: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2938.048211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.048211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.048211 (E_RNA) where: Base-Base interactions energy: -2042.454 where: short stacking energy: -839.667 Base-Backbone interact. energy: 2.868 local terms energy: -898.462651 where: bonds (distance) C4'-P energy: -173.969 bonds (distance) P-C4' energy: -152.813 flat angles C4'-P-C4' energy: -207.564 flat angles P-C4'-P energy: -127.135 tors. eta vs tors. theta energy: -236.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2771.173878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.173878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.173878 (E_RNA) where: Base-Base interactions energy: -1871.834 where: short stacking energy: -830.808 Base-Backbone interact. energy: -0.967 local terms energy: -898.372930 where: bonds (distance) C4'-P energy: -152.482 bonds (distance) P-C4' energy: -175.089 flat angles C4'-P-C4' energy: -187.004 flat angles P-C4'-P energy: -120.592 tors. eta vs tors. theta energy: -263.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2672.898478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.898478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.898478 (E_RNA) where: Base-Base interactions energy: -1839.366 where: short stacking energy: -786.094 Base-Backbone interact. energy: -1.506 local terms energy: -832.026137 where: bonds (distance) C4'-P energy: -144.679 bonds (distance) P-C4' energy: -143.986 flat angles C4'-P-C4' energy: -177.080 flat angles P-C4'-P energy: -119.890 tors. eta vs tors. theta energy: -246.391 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: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2566.125386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.125386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.125386 (E_RNA) where: Base-Base interactions energy: -1767.112 where: short stacking energy: -721.232 Base-Backbone interact. energy: -3.483 local terms energy: -795.530473 where: bonds (distance) C4'-P energy: -143.380 bonds (distance) P-C4' energy: -159.242 flat angles C4'-P-C4' energy: -182.254 flat angles P-C4'-P energy: -106.806 tors. eta vs tors. theta energy: -203.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2446.964016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.964016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.964016 (E_RNA) where: Base-Base interactions energy: -1668.353 where: short stacking energy: -692.632 Base-Backbone interact. energy: -0.501 local terms energy: -778.109550 where: bonds (distance) C4'-P energy: -149.280 bonds (distance) P-C4' energy: -156.083 flat angles C4'-P-C4' energy: -161.987 flat angles P-C4'-P energy: -104.974 tors. eta vs tors. theta energy: -205.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2225.924041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.924041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.924041 (E_RNA) where: Base-Base interactions energy: -1541.963 where: short stacking energy: -666.336 Base-Backbone interact. energy: -3.999 local terms energy: -679.962160 where: bonds (distance) C4'-P energy: -153.202 bonds (distance) P-C4' energy: -134.937 flat angles C4'-P-C4' energy: -150.588 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -175.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1936.430997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.430997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.430997 (E_RNA) where: Base-Base interactions energy: -1269.851 where: short stacking energy: -574.972 Base-Backbone interact. energy: 1.086 local terms energy: -667.665323 where: bonds (distance) C4'-P energy: -137.113 bonds (distance) P-C4' energy: -147.904 flat angles C4'-P-C4' energy: -161.064 flat angles P-C4'-P energy: -79.105 tors. eta vs tors. theta energy: -142.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1506.209898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.209898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.209898 (E_RNA) where: Base-Base interactions energy: -943.504 where: short stacking energy: -415.429 Base-Backbone interact. energy: -3.254 local terms energy: -559.452140 where: bonds (distance) C4'-P energy: -126.617 bonds (distance) P-C4' energy: -127.198 flat angles C4'-P-C4' energy: -156.587 flat angles P-C4'-P energy: -73.149 tors. eta vs tors. theta energy: -75.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1142.612109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.612109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.612109 (E_RNA) where: Base-Base interactions energy: -625.106 where: short stacking energy: -330.439 Base-Backbone interact. energy: -1.652 local terms energy: -515.853455 where: bonds (distance) C4'-P energy: -127.275 bonds (distance) P-C4' energy: -153.967 flat angles C4'-P-C4' energy: -131.145 flat angles P-C4'-P energy: -76.297 tors. eta vs tors. theta energy: -27.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1000.770724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.770724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.770724 (E_RNA) where: Base-Base interactions energy: -538.993 where: short stacking energy: -297.769 Base-Backbone interact. energy: -0.703 local terms energy: -461.075210 where: bonds (distance) C4'-P energy: -130.034 bonds (distance) P-C4' energy: -139.847 flat angles C4'-P-C4' energy: -113.001 flat angles P-C4'-P energy: -63.879 tors. eta vs tors. theta energy: -14.314 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: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2963.476192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.476192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.476192 (E_RNA) where: Base-Base interactions energy: -2037.614 where: short stacking energy: -871.127 Base-Backbone interact. energy: -2.632 local terms energy: -923.230240 where: bonds (distance) C4'-P energy: -170.641 bonds (distance) P-C4' energy: -171.939 flat angles C4'-P-C4' energy: -185.646 flat angles P-C4'-P energy: -139.535 tors. eta vs tors. theta energy: -255.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2776.893477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.893477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.893477 (E_RNA) where: Base-Base interactions energy: -1864.718 where: short stacking energy: -842.288 Base-Backbone interact. energy: -1.706 local terms energy: -910.469529 where: bonds (distance) C4'-P energy: -152.960 bonds (distance) P-C4' energy: -162.956 flat angles C4'-P-C4' energy: -184.106 flat angles P-C4'-P energy: -143.568 tors. eta vs tors. theta energy: -266.881 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: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2717.782783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.782783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.782783 (E_RNA) where: Base-Base interactions energy: -1848.409 where: short stacking energy: -769.946 Base-Backbone interact. energy: -5.102 local terms energy: -864.271263 where: bonds (distance) C4'-P energy: -156.077 bonds (distance) P-C4' energy: -156.979 flat angles C4'-P-C4' energy: -178.593 flat angles P-C4'-P energy: -132.632 tors. eta vs tors. theta energy: -239.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2595.601117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.601117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.601117 (E_RNA) where: Base-Base interactions energy: -1796.817 where: short stacking energy: -741.530 Base-Backbone interact. energy: -5.028 local terms energy: -793.755631 where: bonds (distance) C4'-P energy: -140.614 bonds (distance) P-C4' energy: -158.465 flat angles C4'-P-C4' energy: -185.162 flat angles P-C4'-P energy: -97.892 tors. eta vs tors. theta energy: -211.624 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: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2462.389987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.389987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.389987 (E_RNA) where: Base-Base interactions energy: -1661.868 where: short stacking energy: -693.840 Base-Backbone interact. energy: -4.747 local terms energy: -795.774856 where: bonds (distance) C4'-P energy: -156.045 bonds (distance) P-C4' energy: -161.721 flat angles C4'-P-C4' energy: -183.468 flat angles P-C4'-P energy: -84.599 tors. eta vs tors. theta energy: -209.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2210.494470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.494470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.494470 (E_RNA) where: Base-Base interactions energy: -1473.484 where: short stacking energy: -645.024 Base-Backbone interact. energy: 1.190 local terms energy: -738.200318 where: bonds (distance) C4'-P energy: -146.349 bonds (distance) P-C4' energy: -150.771 flat angles C4'-P-C4' energy: -154.380 flat angles P-C4'-P energy: -112.616 tors. eta vs tors. theta energy: -174.084 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: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1938.157095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.157095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.157095 (E_RNA) where: Base-Base interactions energy: -1286.651 where: short stacking energy: -599.578 Base-Backbone interact. energy: 2.117 local terms energy: -653.623187 where: bonds (distance) C4'-P energy: -136.248 bonds (distance) P-C4' energy: -134.499 flat angles C4'-P-C4' energy: -138.574 flat angles P-C4'-P energy: -102.603 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: 8, replica: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1518.444237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.444237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.444237 (E_RNA) where: Base-Base interactions energy: -943.751 where: short stacking energy: -430.440 Base-Backbone interact. energy: 0.751 local terms energy: -575.444324 where: bonds (distance) C4'-P energy: -121.571 bonds (distance) P-C4' energy: -141.719 flat angles C4'-P-C4' energy: -135.562 flat angles P-C4'-P energy: -79.287 tors. eta vs tors. theta energy: -97.305 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: 458 Temperature: 1.300000 Total energy: -1143.535626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.535626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.535626 (E_RNA) where: Base-Base interactions energy: -664.860 where: short stacking energy: -322.863 Base-Backbone interact. energy: 0.102 local terms energy: -478.777922 where: bonds (distance) C4'-P energy: -119.915 bonds (distance) P-C4' energy: -145.779 flat angles C4'-P-C4' energy: -120.523 flat angles P-C4'-P energy: -50.316 tors. eta vs tors. theta energy: -42.244 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: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -918.497358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.497358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.497358 (E_RNA) where: Base-Base interactions energy: -494.081 where: short stacking energy: -246.033 Base-Backbone interact. energy: 1.782 local terms energy: -426.198076 where: bonds (distance) C4'-P energy: -138.918 bonds (distance) P-C4' energy: -124.091 flat angles C4'-P-C4' energy: -105.102 flat angles P-C4'-P energy: -72.978 tors. eta vs tors. theta energy: 14.891 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: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2943.015677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.015677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.015677 (E_RNA) where: Base-Base interactions energy: -2040.051 where: short stacking energy: -828.776 Base-Backbone interact. energy: -3.096 local terms energy: -899.868541 where: bonds (distance) C4'-P energy: -153.637 bonds (distance) P-C4' energy: -179.500 flat angles C4'-P-C4' energy: -195.105 flat angles P-C4'-P energy: -120.977 tors. eta vs tors. theta energy: -250.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2758.406057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.406057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.406057 (E_RNA) where: Base-Base interactions energy: -1870.368 where: short stacking energy: -847.028 Base-Backbone interact. energy: -0.753 local terms energy: -887.285121 where: bonds (distance) C4'-P energy: -155.508 bonds (distance) P-C4' energy: -165.860 flat angles C4'-P-C4' energy: -191.831 flat angles P-C4'-P energy: -119.459 tors. eta vs tors. theta energy: -254.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2685.081537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.081537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.081537 (E_RNA) where: Base-Base interactions energy: -1830.229 where: short stacking energy: -765.302 Base-Backbone interact. energy: -1.808 local terms energy: -853.044549 where: bonds (distance) C4'-P energy: -149.070 bonds (distance) P-C4' energy: -164.340 flat angles C4'-P-C4' energy: -179.081 flat angles P-C4'-P energy: -118.169 tors. eta vs tors. theta energy: -242.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2594.614719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.614719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.614719 (E_RNA) where: Base-Base interactions energy: -1793.770 where: short stacking energy: -732.826 Base-Backbone interact. energy: -1.593 local terms energy: -799.252501 where: bonds (distance) C4'-P energy: -151.453 bonds (distance) P-C4' energy: -145.856 flat angles C4'-P-C4' energy: -172.550 flat angles P-C4'-P energy: -118.822 tors. eta vs tors. theta energy: -210.571 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: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2401.640029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.640029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.640029 (E_RNA) where: Base-Base interactions energy: -1632.040 where: short stacking energy: -699.250 Base-Backbone interact. energy: -4.916 local terms energy: -764.683383 where: bonds (distance) C4'-P energy: -142.210 bonds (distance) P-C4' energy: -161.674 flat angles C4'-P-C4' energy: -163.456 flat angles P-C4'-P energy: -95.414 tors. eta vs tors. theta energy: -201.930 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: 1 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2202.562926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.562926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.562926 (E_RNA) where: Base-Base interactions energy: -1529.623 where: short stacking energy: -654.787 Base-Backbone interact. energy: -2.646 local terms energy: -670.293801 where: bonds (distance) C4'-P energy: -116.586 bonds (distance) P-C4' energy: -132.221 flat angles C4'-P-C4' energy: -144.648 flat angles P-C4'-P energy: -99.890 tors. eta vs tors. theta energy: -176.948 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: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1920.845865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.845865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.845865 (E_RNA) where: Base-Base interactions energy: -1240.447 where: short stacking energy: -564.013 Base-Backbone interact. energy: 4.958 local terms energy: -685.356683 where: bonds (distance) C4'-P energy: -152.780 bonds (distance) P-C4' energy: -133.592 flat angles C4'-P-C4' energy: -166.721 flat angles P-C4'-P energy: -91.236 tors. eta vs tors. theta energy: -141.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1514.567673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.567673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.567673 (E_RNA) where: Base-Base interactions energy: -983.913 where: short stacking energy: -439.405 Base-Backbone interact. energy: 3.952 local terms energy: -534.606308 where: bonds (distance) C4'-P energy: -133.878 bonds (distance) P-C4' energy: -108.560 flat angles C4'-P-C4' energy: -136.101 flat angles P-C4'-P energy: -72.242 tors. eta vs tors. theta energy: -83.825 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: 459 Temperature: 1.300000 Total energy: -1149.266585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.266585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.266585 (E_RNA) where: Base-Base interactions energy: -673.239 where: short stacking energy: -336.021 Base-Backbone interact. energy: -2.851 local terms energy: -473.175960 where: bonds (distance) C4'-P energy: -133.422 bonds (distance) P-C4' energy: -128.160 flat angles C4'-P-C4' energy: -115.455 flat angles P-C4'-P energy: -73.321 tors. eta vs tors. theta energy: -22.818 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: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -909.341216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.341216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.341216 (E_RNA) where: Base-Base interactions energy: -479.345 where: short stacking energy: -264.708 Base-Backbone interact. energy: 4.359 local terms energy: -434.355278 where: bonds (distance) C4'-P energy: -99.837 bonds (distance) P-C4' energy: -148.751 flat angles C4'-P-C4' energy: -130.784 flat angles P-C4'-P energy: -57.826 tors. eta vs tors. theta energy: 2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2944.432498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.432498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.432498 (E_RNA) where: Base-Base interactions energy: -2043.663 where: short stacking energy: -838.532 Base-Backbone interact. energy: -7.004 local terms energy: -893.765885 where: bonds (distance) C4'-P energy: -162.269 bonds (distance) P-C4' energy: -169.917 flat angles C4'-P-C4' energy: -179.471 flat angles P-C4'-P energy: -140.808 tors. eta vs tors. theta energy: -241.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2720.507939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.507939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.507939 (E_RNA) where: Base-Base interactions energy: -1849.418 where: short stacking energy: -792.789 Base-Backbone interact. energy: 0.796 local terms energy: -871.885624 where: bonds (distance) C4'-P energy: -164.786 bonds (distance) P-C4' energy: -167.066 flat angles C4'-P-C4' energy: -183.799 flat angles P-C4'-P energy: -119.266 tors. eta vs tors. theta energy: -236.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2656.040227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.040227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.040227 (E_RNA) where: Base-Base interactions energy: -1810.625 where: short stacking energy: -765.273 Base-Backbone interact. energy: -4.332 local terms energy: -841.083586 where: bonds (distance) C4'-P energy: -155.802 bonds (distance) P-C4' energy: -152.722 flat angles C4'-P-C4' energy: -177.362 flat angles P-C4'-P energy: -116.633 tors. eta vs tors. theta energy: -238.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2620.118690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.118690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.118690 (E_RNA) where: Base-Base interactions energy: -1804.396 where: short stacking energy: -711.587 Base-Backbone interact. energy: -2.606 local terms energy: -813.116969 where: bonds (distance) C4'-P energy: -151.603 bonds (distance) P-C4' energy: -154.356 flat angles C4'-P-C4' energy: -177.136 flat angles P-C4'-P energy: -131.249 tors. eta vs tors. theta energy: -198.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2411.257052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.257052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.257052 (E_RNA) where: Base-Base interactions energy: -1651.571 where: short stacking energy: -729.532 Base-Backbone interact. energy: -0.361 local terms energy: -759.324995 where: bonds (distance) C4'-P energy: -114.393 bonds (distance) P-C4' energy: -145.024 flat angles C4'-P-C4' energy: -175.974 flat angles P-C4'-P energy: -116.252 tors. eta vs tors. theta energy: -207.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2202.804249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.804249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.804249 (E_RNA) where: Base-Base interactions energy: -1480.773 where: short stacking energy: -649.096 Base-Backbone interact. energy: -2.222 local terms energy: -719.808877 where: bonds (distance) C4'-P energy: -148.211 bonds (distance) P-C4' energy: -148.669 flat angles C4'-P-C4' energy: -159.997 flat angles P-C4'-P energy: -89.316 tors. eta vs tors. theta energy: -173.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1938.676861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.676861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.676861 (E_RNA) where: Base-Base interactions energy: -1248.663 where: short stacking energy: -566.915 Base-Backbone interact. energy: -2.642 local terms energy: -687.371537 where: bonds (distance) C4'-P energy: -136.490 bonds (distance) P-C4' energy: -143.774 flat angles C4'-P-C4' energy: -156.177 flat angles P-C4'-P energy: -93.139 tors. eta vs tors. theta energy: -157.792 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: 8, replica: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1542.168355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.168355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.168355 (E_RNA) where: Base-Base interactions energy: -936.921 where: short stacking energy: -433.709 Base-Backbone interact. energy: -1.882 local terms energy: -603.365039 where: bonds (distance) C4'-P energy: -138.589 bonds (distance) P-C4' energy: -134.427 flat angles C4'-P-C4' energy: -151.513 flat angles P-C4'-P energy: -95.199 tors. eta vs tors. theta energy: -83.637 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: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1193.186830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.186830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.186830 (E_RNA) where: Base-Base interactions energy: -689.366 where: short stacking energy: -320.340 Base-Backbone interact. energy: -5.510 local terms energy: -498.310707 where: bonds (distance) C4'-P energy: -128.086 bonds (distance) P-C4' energy: -120.745 flat angles C4'-P-C4' energy: -130.283 flat angles P-C4'-P energy: -74.551 tors. eta vs tors. theta energy: -44.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -950.193881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.193881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.193881 (E_RNA) where: Base-Base interactions energy: -510.988 where: short stacking energy: -282.291 Base-Backbone interact. energy: -1.565 local terms energy: -437.640532 where: bonds (distance) C4'-P energy: -131.254 bonds (distance) P-C4' energy: -142.713 flat angles C4'-P-C4' energy: -98.522 flat angles P-C4'-P energy: -48.398 tors. eta vs tors. theta energy: -16.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2913.396393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.396393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.396393 (E_RNA) where: Base-Base interactions energy: -2029.406 where: short stacking energy: -827.334 Base-Backbone interact. energy: 1.594 local terms energy: -885.583896 where: bonds (distance) C4'-P energy: -145.710 bonds (distance) P-C4' energy: -161.100 flat angles C4'-P-C4' energy: -201.796 flat angles P-C4'-P energy: -133.819 tors. eta vs tors. theta energy: -243.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2739.965973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.965973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.965973 (E_RNA) where: Base-Base interactions energy: -1880.955 where: short stacking energy: -815.494 Base-Backbone interact. energy: -4.863 local terms energy: -854.148162 where: bonds (distance) C4'-P energy: -155.951 bonds (distance) P-C4' energy: -168.007 flat angles C4'-P-C4' energy: -179.717 flat angles P-C4'-P energy: -116.958 tors. eta vs tors. theta energy: -233.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2660.211011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.211011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.211011 (E_RNA) where: Base-Base interactions energy: -1802.035 where: short stacking energy: -796.589 Base-Backbone interact. energy: -1.377 local terms energy: -856.798864 where: bonds (distance) C4'-P energy: -136.459 bonds (distance) P-C4' energy: -173.601 flat angles C4'-P-C4' energy: -191.724 flat angles P-C4'-P energy: -116.028 tors. eta vs tors. theta energy: -238.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2593.127965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.127965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.127965 (E_RNA) where: Base-Base interactions energy: -1780.366 where: short stacking energy: -719.525 Base-Backbone interact. energy: -3.705 local terms energy: -809.057153 where: bonds (distance) C4'-P energy: -157.241 bonds (distance) P-C4' energy: -150.175 flat angles C4'-P-C4' energy: -177.326 flat angles P-C4'-P energy: -114.783 tors. eta vs tors. theta energy: -209.532 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: 9 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2370.407773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.407773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.407773 (E_RNA) where: Base-Base interactions energy: -1609.912 where: short stacking energy: -654.412 Base-Backbone interact. energy: -4.853 local terms energy: -755.643176 where: bonds (distance) C4'-P energy: -146.591 bonds (distance) P-C4' energy: -151.281 flat angles C4'-P-C4' energy: -160.477 flat angles P-C4'-P energy: -98.401 tors. eta vs tors. theta energy: -198.893 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: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2200.727563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.727563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.727563 (E_RNA) where: Base-Base interactions energy: -1519.991 where: short stacking energy: -642.213 Base-Backbone interact. energy: 0.484 local terms energy: -681.220759 where: bonds (distance) C4'-P energy: -109.532 bonds (distance) P-C4' energy: -133.711 flat angles C4'-P-C4' energy: -154.827 flat angles P-C4'-P energy: -104.345 tors. eta vs tors. theta energy: -178.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1919.785275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.785275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.785275 (E_RNA) where: Base-Base interactions energy: -1260.784 where: short stacking energy: -576.620 Base-Backbone interact. energy: -1.623 local terms energy: -657.378376 where: bonds (distance) C4'-P energy: -148.590 bonds (distance) P-C4' energy: -128.650 flat angles C4'-P-C4' energy: -143.462 flat angles P-C4'-P energy: -86.768 tors. eta vs tors. theta energy: -149.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1512.033923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.033923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.033923 (E_RNA) where: Base-Base interactions energy: -930.403 where: short stacking energy: -425.700 Base-Backbone interact. energy: -3.083 local terms energy: -578.548195 where: bonds (distance) C4'-P energy: -117.832 bonds (distance) P-C4' energy: -151.018 flat angles C4'-P-C4' energy: -142.631 flat angles P-C4'-P energy: -100.297 tors. eta vs tors. theta energy: -66.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1170.488643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.488643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.488643 (E_RNA) where: Base-Base interactions energy: -649.196 where: short stacking energy: -330.527 Base-Backbone interact. energy: 2.958 local terms energy: -524.250624 where: bonds (distance) C4'-P energy: -138.062 bonds (distance) P-C4' energy: -145.901 flat angles C4'-P-C4' energy: -132.288 flat angles P-C4'-P energy: -64.508 tors. eta vs tors. theta energy: -43.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -952.408726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.408726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.408726 (E_RNA) where: Base-Base interactions energy: -501.885 where: short stacking energy: -265.473 Base-Backbone interact. energy: 6.655 local terms energy: -457.177975 where: bonds (distance) C4'-P energy: -120.406 bonds (distance) P-C4' energy: -140.386 flat angles C4'-P-C4' energy: -130.089 flat angles P-C4'-P energy: -65.186 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2947.332738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.332738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.332738 (E_RNA) where: Base-Base interactions energy: -2057.733 where: short stacking energy: -818.852 Base-Backbone interact. energy: -5.411 local terms energy: -884.188779 where: bonds (distance) C4'-P energy: -160.757 bonds (distance) P-C4' energy: -166.778 flat angles C4'-P-C4' energy: -187.710 flat angles P-C4'-P energy: -125.578 tors. eta vs tors. theta energy: -243.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2758.665032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.665032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.665032 (E_RNA) where: Base-Base interactions energy: -1893.655 where: short stacking energy: -805.978 Base-Backbone interact. energy: -3.389 local terms energy: -861.621639 where: bonds (distance) C4'-P energy: -164.505 bonds (distance) P-C4' energy: -152.403 flat angles C4'-P-C4' energy: -178.921 flat angles P-C4'-P energy: -122.274 tors. eta vs tors. theta energy: -243.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2628.008001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.008001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.008001 (E_RNA) where: Base-Base interactions energy: -1799.612 where: short stacking energy: -769.453 Base-Backbone interact. energy: -3.395 local terms energy: -825.001086 where: bonds (distance) C4'-P energy: -148.296 bonds (distance) P-C4' energy: -144.966 flat angles C4'-P-C4' energy: -175.903 flat angles P-C4'-P energy: -130.993 tors. eta vs tors. theta energy: -224.842 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: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2557.440631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.440631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.440631 (E_RNA) where: Base-Base interactions energy: -1768.930 where: short stacking energy: -702.802 Base-Backbone interact. energy: -3.591 local terms energy: -784.920341 where: bonds (distance) C4'-P energy: -150.886 bonds (distance) P-C4' energy: -137.169 flat angles C4'-P-C4' energy: -178.343 flat angles P-C4'-P energy: -119.160 tors. eta vs tors. theta energy: -199.362 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: 9 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2416.526611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.526611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.526611 (E_RNA) where: Base-Base interactions energy: -1649.450 where: short stacking energy: -705.338 Base-Backbone interact. energy: -2.393 local terms energy: -764.684076 where: bonds (distance) C4'-P energy: -135.451 bonds (distance) P-C4' energy: -118.594 flat angles C4'-P-C4' energy: -176.770 flat angles P-C4'-P energy: -118.987 tors. eta vs tors. theta energy: -214.882 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: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2141.985559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.985559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.985559 (E_RNA) where: Base-Base interactions energy: -1421.492 where: short stacking energy: -620.058 Base-Backbone interact. energy: -0.993 local terms energy: -719.499696 where: bonds (distance) C4'-P energy: -136.011 bonds (distance) P-C4' energy: -141.095 flat angles C4'-P-C4' energy: -167.041 flat angles P-C4'-P energy: -103.375 tors. eta vs tors. theta energy: -171.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1912.101899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.101899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.101899 (E_RNA) where: Base-Base interactions energy: -1225.304 where: short stacking energy: -534.325 Base-Backbone interact. energy: -2.440 local terms energy: -684.358359 where: bonds (distance) C4'-P energy: -149.768 bonds (distance) P-C4' energy: -148.985 flat angles C4'-P-C4' energy: -148.184 flat angles P-C4'-P energy: -102.143 tors. eta vs tors. theta energy: -135.278 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: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1543.130504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.130504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.130504 (E_RNA) where: Base-Base interactions energy: -933.099 where: short stacking energy: -419.988 Base-Backbone interact. energy: 4.021 local terms energy: -614.052515 where: bonds (distance) C4'-P energy: -150.356 bonds (distance) P-C4' energy: -144.047 flat angles C4'-P-C4' energy: -138.382 flat angles P-C4'-P energy: -90.963 tors. eta vs tors. theta energy: -90.305 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: 462 Temperature: 1.300000 Total energy: -1189.306166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.306166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.306166 (E_RNA) where: Base-Base interactions energy: -676.384 where: short stacking energy: -350.086 Base-Backbone interact. energy: -0.932 local terms energy: -511.989318 where: bonds (distance) C4'-P energy: -133.361 bonds (distance) P-C4' energy: -127.939 flat angles C4'-P-C4' energy: -132.803 flat angles P-C4'-P energy: -69.241 tors. eta vs tors. theta energy: -48.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -925.001668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.001668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.001668 (E_RNA) where: Base-Base interactions energy: -479.613 where: short stacking energy: -238.284 Base-Backbone interact. energy: 4.483 local terms energy: -449.871495 where: bonds (distance) C4'-P energy: -126.311 bonds (distance) P-C4' energy: -137.218 flat angles C4'-P-C4' energy: -125.632 flat angles P-C4'-P energy: -67.205 tors. eta vs tors. theta energy: 6.494 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: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2947.238816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.238816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.238816 (E_RNA) where: Base-Base interactions energy: -2053.162 where: short stacking energy: -811.514 Base-Backbone interact. energy: -2.725 local terms energy: -891.352260 where: bonds (distance) C4'-P energy: -158.388 bonds (distance) P-C4' energy: -156.411 flat angles C4'-P-C4' energy: -194.470 flat angles P-C4'-P energy: -134.289 tors. eta vs tors. theta energy: -247.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2729.505171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.505171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.505171 (E_RNA) where: Base-Base interactions energy: -1830.510 where: short stacking energy: -773.018 Base-Backbone interact. energy: 1.404 local terms energy: -900.398581 where: bonds (distance) C4'-P energy: -182.779 bonds (distance) P-C4' energy: -168.796 flat angles C4'-P-C4' energy: -181.162 flat angles P-C4'-P energy: -129.179 tors. eta vs tors. theta energy: -238.483 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: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2668.416527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.416527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.416527 (E_RNA) where: Base-Base interactions energy: -1774.289 where: short stacking energy: -759.740 Base-Backbone interact. energy: -4.581 local terms energy: -889.546254 where: bonds (distance) C4'-P energy: -166.494 bonds (distance) P-C4' energy: -181.394 flat angles C4'-P-C4' energy: -187.100 flat angles P-C4'-P energy: -116.549 tors. eta vs tors. theta energy: -238.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2532.904097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.904097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.904097 (E_RNA) where: Base-Base interactions energy: -1734.576 where: short stacking energy: -734.184 Base-Backbone interact. energy: 0.795 local terms energy: -799.122990 where: bonds (distance) C4'-P energy: -140.338 bonds (distance) P-C4' energy: -142.900 flat angles C4'-P-C4' energy: -173.493 flat angles P-C4'-P energy: -126.661 tors. eta vs tors. theta energy: -215.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2449.992476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.992476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.992476 (E_RNA) where: Base-Base interactions energy: -1668.228 where: short stacking energy: -711.263 Base-Backbone interact. energy: -5.320 local terms energy: -776.444368 where: bonds (distance) C4'-P energy: -150.363 bonds (distance) P-C4' energy: -138.260 flat angles C4'-P-C4' energy: -173.509 flat angles P-C4'-P energy: -100.023 tors. eta vs tors. theta energy: -214.289 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: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2191.167390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.167390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.167390 (E_RNA) where: Base-Base interactions energy: -1463.490 where: short stacking energy: -643.721 Base-Backbone interact. energy: -3.615 local terms energy: -724.061516 where: bonds (distance) C4'-P energy: -141.444 bonds (distance) P-C4' energy: -152.483 flat angles C4'-P-C4' energy: -156.638 flat angles P-C4'-P energy: -113.412 tors. eta vs tors. theta energy: -160.084 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: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1998.792509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.792509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.792509 (E_RNA) where: Base-Base interactions energy: -1314.471 where: short stacking energy: -591.622 Base-Backbone interact. energy: -2.541 local terms energy: -681.780879 where: bonds (distance) C4'-P energy: -155.618 bonds (distance) P-C4' energy: -136.149 flat angles C4'-P-C4' energy: -156.200 flat angles P-C4'-P energy: -73.521 tors. eta vs tors. theta energy: -160.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1575.731410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.731410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.731410 (E_RNA) where: Base-Base interactions energy: -995.001 where: short stacking energy: -452.833 Base-Backbone interact. energy: -2.159 local terms energy: -578.571603 where: bonds (distance) C4'-P energy: -133.243 bonds (distance) P-C4' energy: -138.656 flat angles C4'-P-C4' energy: -134.401 flat angles P-C4'-P energy: -89.817 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: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1158.723286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.723286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.723286 (E_RNA) where: Base-Base interactions energy: -619.836 where: short stacking energy: -316.915 Base-Backbone interact. energy: -4.413 local terms energy: -534.473850 where: bonds (distance) C4'-P energy: -132.749 bonds (distance) P-C4' energy: -156.006 flat angles C4'-P-C4' energy: -114.285 flat angles P-C4'-P energy: -100.640 tors. eta vs tors. theta energy: -30.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -908.098162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.098162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.098162 (E_RNA) where: Base-Base interactions energy: -475.917 where: short stacking energy: -257.500 Base-Backbone interact. energy: 9.720 local terms energy: -441.900815 where: bonds (distance) C4'-P energy: -121.142 bonds (distance) P-C4' energy: -133.124 flat angles C4'-P-C4' energy: -114.302 flat angles P-C4'-P energy: -77.941 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: 1, replica: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2937.377934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.377934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.377934 (E_RNA) where: Base-Base interactions energy: -2030.090 where: short stacking energy: -833.164 Base-Backbone interact. energy: -5.785 local terms energy: -901.502962 where: bonds (distance) C4'-P energy: -172.587 bonds (distance) P-C4' energy: -178.594 flat angles C4'-P-C4' energy: -182.871 flat angles P-C4'-P energy: -126.773 tors. eta vs tors. theta energy: -240.678 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: 2, replica: 8 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2753.141903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.141903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.141903 (E_RNA) where: Base-Base interactions energy: -1874.904 where: short stacking energy: -803.796 Base-Backbone interact. energy: -6.807 local terms energy: -871.431213 where: bonds (distance) C4'-P energy: -158.501 bonds (distance) P-C4' energy: -146.304 flat angles C4'-P-C4' energy: -188.737 flat angles P-C4'-P energy: -122.817 tors. eta vs tors. theta energy: -255.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2661.291305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.291305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.291305 (E_RNA) where: Base-Base interactions energy: -1815.825 where: short stacking energy: -762.061 Base-Backbone interact. energy: -3.988 local terms energy: -841.478470 where: bonds (distance) C4'-P energy: -159.862 bonds (distance) P-C4' energy: -167.636 flat angles C4'-P-C4' energy: -174.521 flat angles P-C4'-P energy: -122.000 tors. eta vs tors. theta energy: -217.460 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: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2517.958912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.958912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.958912 (E_RNA) where: Base-Base interactions energy: -1677.590 where: short stacking energy: -698.718 Base-Backbone interact. energy: -4.236 local terms energy: -836.132856 where: bonds (distance) C4'-P energy: -165.006 bonds (distance) P-C4' energy: -159.908 flat angles C4'-P-C4' energy: -187.743 flat angles P-C4'-P energy: -104.154 tors. eta vs tors. theta energy: -219.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2415.034625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.034625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.034625 (E_RNA) where: Base-Base interactions energy: -1654.974 where: short stacking energy: -718.094 Base-Backbone interact. energy: -3.623 local terms energy: -756.437499 where: bonds (distance) C4'-P energy: -138.625 bonds (distance) P-C4' energy: -147.048 flat angles C4'-P-C4' energy: -177.296 flat angles P-C4'-P energy: -102.407 tors. eta vs tors. theta energy: -191.063 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: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2158.607076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.607076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.607076 (E_RNA) where: Base-Base interactions energy: -1439.161 where: short stacking energy: -591.328 Base-Backbone interact. energy: -1.377 local terms energy: -718.068987 where: bonds (distance) C4'-P energy: -148.635 bonds (distance) P-C4' energy: -145.945 flat angles C4'-P-C4' energy: -164.881 flat angles P-C4'-P energy: -96.902 tors. eta vs tors. theta energy: -161.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2048.245621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.245621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.245621 (E_RNA) where: Base-Base interactions energy: -1345.033 where: short stacking energy: -575.407 Base-Backbone interact. energy: 0.118 local terms energy: -703.330812 where: bonds (distance) C4'-P energy: -143.229 bonds (distance) P-C4' energy: -134.961 flat angles C4'-P-C4' energy: -171.073 flat angles P-C4'-P energy: -101.416 tors. eta vs tors. theta energy: -152.652 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: 464 Temperature: 1.250000 Total energy: -1541.112903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.112903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.112903 (E_RNA) where: Base-Base interactions energy: -977.650 where: short stacking energy: -438.678 Base-Backbone interact. energy: -3.708 local terms energy: -559.755374 where: bonds (distance) C4'-P energy: -133.864 bonds (distance) P-C4' energy: -104.481 flat angles C4'-P-C4' energy: -126.500 flat angles P-C4'-P energy: -108.735 tors. eta vs tors. theta energy: -86.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1123.581147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.581147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.581147 (E_RNA) where: Base-Base interactions energy: -649.938 where: short stacking energy: -335.778 Base-Backbone interact. energy: -2.044 local terms energy: -471.598948 where: bonds (distance) C4'-P energy: -118.158 bonds (distance) P-C4' energy: -134.249 flat angles C4'-P-C4' energy: -125.110 flat angles P-C4'-P energy: -63.035 tors. eta vs tors. theta energy: -31.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -962.530457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.530457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.530457 (E_RNA) where: Base-Base interactions energy: -496.871 where: short stacking energy: -277.567 Base-Backbone interact. energy: -3.378 local terms energy: -462.281346 where: bonds (distance) C4'-P energy: -104.318 bonds (distance) P-C4' energy: -169.134 flat angles C4'-P-C4' energy: -106.655 flat angles P-C4'-P energy: -72.264 tors. eta vs tors. theta energy: -9.911 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: 1, replica: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2925.320056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.320056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.320056 (E_RNA) where: Base-Base interactions energy: -2037.444 where: short stacking energy: -826.565 Base-Backbone interact. energy: -5.223 local terms energy: -882.653424 where: bonds (distance) C4'-P energy: -171.790 bonds (distance) P-C4' energy: -160.050 flat angles C4'-P-C4' energy: -179.014 flat angles P-C4'-P energy: -126.136 tors. eta vs tors. theta energy: -245.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2742.963745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.963745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.963745 (E_RNA) where: Base-Base interactions energy: -1879.883 where: short stacking energy: -800.382 Base-Backbone interact. energy: -3.989 local terms energy: -859.091918 where: bonds (distance) C4'-P energy: -154.439 bonds (distance) P-C4' energy: -162.174 flat angles C4'-P-C4' energy: -171.257 flat angles P-C4'-P energy: -125.529 tors. eta vs tors. theta energy: -245.693 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: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2668.443157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.443157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.443157 (E_RNA) where: Base-Base interactions energy: -1804.321 where: short stacking energy: -793.056 Base-Backbone interact. energy: -2.448 local terms energy: -861.674417 where: bonds (distance) C4'-P energy: -161.767 bonds (distance) P-C4' energy: -145.356 flat angles C4'-P-C4' energy: -181.543 flat angles P-C4'-P energy: -136.748 tors. eta vs tors. theta energy: -236.261 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: 4, replica: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2567.201151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.201151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.201151 (E_RNA) where: Base-Base interactions energy: -1734.459 where: short stacking energy: -717.254 Base-Backbone interact. energy: -0.473 local terms energy: -832.269072 where: bonds (distance) C4'-P energy: -162.854 bonds (distance) P-C4' energy: -156.656 flat angles C4'-P-C4' energy: -184.569 flat angles P-C4'-P energy: -116.156 tors. eta vs tors. theta energy: -212.034 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: 9 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2375.649809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.649809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.649809 (E_RNA) where: Base-Base interactions energy: -1611.446 where: short stacking energy: -687.256 Base-Backbone interact. energy: -1.235 local terms energy: -762.968868 where: bonds (distance) C4'-P energy: -129.601 bonds (distance) P-C4' energy: -160.359 flat angles C4'-P-C4' energy: -171.755 flat angles P-C4'-P energy: -101.162 tors. eta vs tors. theta energy: -200.092 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: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2207.943981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.943981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.943981 (E_RNA) where: Base-Base interactions energy: -1438.200 where: short stacking energy: -622.119 Base-Backbone interact. energy: -2.372 local terms energy: -767.371642 where: bonds (distance) C4'-P energy: -161.135 bonds (distance) P-C4' energy: -146.524 flat angles C4'-P-C4' energy: -174.583 flat angles P-C4'-P energy: -114.779 tors. eta vs tors. theta energy: -170.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1997.926475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.926475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.926475 (E_RNA) where: Base-Base interactions energy: -1326.206 where: short stacking energy: -588.780 Base-Backbone interact. energy: -3.182 local terms energy: -668.538527 where: bonds (distance) C4'-P energy: -132.241 bonds (distance) P-C4' energy: -131.761 flat angles C4'-P-C4' energy: -149.746 flat angles P-C4'-P energy: -96.152 tors. eta vs tors. theta energy: -158.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1444.880889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.880889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.880889 (E_RNA) where: Base-Base interactions energy: -873.912 where: short stacking energy: -379.467 Base-Backbone interact. energy: 2.316 local terms energy: -573.284578 where: bonds (distance) C4'-P energy: -142.335 bonds (distance) P-C4' energy: -140.519 flat angles C4'-P-C4' energy: -147.258 flat angles P-C4'-P energy: -86.402 tors. eta vs tors. theta energy: -56.771 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: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1130.729806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.729806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.729806 (E_RNA) where: Base-Base interactions energy: -644.140 where: short stacking energy: -314.825 Base-Backbone interact. energy: -3.420 local terms energy: -483.170442 where: bonds (distance) C4'-P energy: -131.916 bonds (distance) P-C4' energy: -131.569 flat angles C4'-P-C4' energy: -108.064 flat angles P-C4'-P energy: -68.122 tors. eta vs tors. theta energy: -43.500 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: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -981.855006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.855006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.855006 (E_RNA) where: Base-Base interactions energy: -508.035 where: short stacking energy: -253.999 Base-Backbone interact. energy: 0.495 local terms energy: -474.315644 where: bonds (distance) C4'-P energy: -120.212 bonds (distance) P-C4' energy: -155.168 flat angles C4'-P-C4' energy: -118.612 flat angles P-C4'-P energy: -75.329 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2928.540540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.540540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.540540 (E_RNA) where: Base-Base interactions energy: -2018.645 where: short stacking energy: -828.413 Base-Backbone interact. energy: -3.010 local terms energy: -906.885443 where: bonds (distance) C4'-P energy: -167.152 bonds (distance) P-C4' energy: -160.158 flat angles C4'-P-C4' energy: -194.699 flat angles P-C4'-P energy: -134.955 tors. eta vs tors. theta energy: -249.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2776.882249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.882249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.882249 (E_RNA) where: Base-Base interactions energy: -1911.113 where: short stacking energy: -810.823 Base-Backbone interact. energy: -0.674 local terms energy: -865.095277 where: bonds (distance) C4'-P energy: -166.116 bonds (distance) P-C4' energy: -162.274 flat angles C4'-P-C4' energy: -173.602 flat angles P-C4'-P energy: -120.683 tors. eta vs tors. theta energy: -242.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2683.641444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.641444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.641444 (E_RNA) where: Base-Base interactions energy: -1825.435 where: short stacking energy: -742.410 Base-Backbone interact. energy: -3.029 local terms energy: -855.176887 where: bonds (distance) C4'-P energy: -169.358 bonds (distance) P-C4' energy: -160.759 flat angles C4'-P-C4' energy: -184.152 flat angles P-C4'-P energy: -112.787 tors. eta vs tors. theta energy: -228.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2530.987070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.987070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.987070 (E_RNA) where: Base-Base interactions energy: -1735.643 where: short stacking energy: -727.278 Base-Backbone interact. energy: -2.597 local terms energy: -792.747190 where: bonds (distance) C4'-P energy: -148.347 bonds (distance) P-C4' energy: -142.977 flat angles C4'-P-C4' energy: -179.261 flat angles P-C4'-P energy: -110.558 tors. eta vs tors. theta energy: -211.604 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: 9 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2434.345038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.345038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.345038 (E_RNA) where: Base-Base interactions energy: -1661.727 where: short stacking energy: -713.151 Base-Backbone interact. energy: -1.218 local terms energy: -771.400291 where: bonds (distance) C4'-P energy: -141.174 bonds (distance) P-C4' energy: -143.662 flat angles C4'-P-C4' energy: -167.824 flat angles P-C4'-P energy: -109.938 tors. eta vs tors. theta energy: -208.802 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: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2073.630352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.630352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.630352 (E_RNA) where: Base-Base interactions energy: -1339.411 where: short stacking energy: -603.250 Base-Backbone interact. energy: -1.362 local terms energy: -732.856945 where: bonds (distance) C4'-P energy: -157.131 bonds (distance) P-C4' energy: -148.968 flat angles C4'-P-C4' energy: -166.427 flat angles P-C4'-P energy: -104.644 tors. eta vs tors. theta energy: -155.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1995.303637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.303637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.303637 (E_RNA) where: Base-Base interactions energy: -1321.451 where: short stacking energy: -578.977 Base-Backbone interact. energy: -0.280 local terms energy: -673.572379 where: bonds (distance) C4'-P energy: -131.134 bonds (distance) P-C4' energy: -135.252 flat angles C4'-P-C4' energy: -150.050 flat angles P-C4'-P energy: -103.976 tors. eta vs tors. theta energy: -153.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1465.711773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.711773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.711773 (E_RNA) where: Base-Base interactions energy: -903.244 where: short stacking energy: -430.088 Base-Backbone interact. energy: -0.611 local terms energy: -561.857413 where: bonds (distance) C4'-P energy: -132.288 bonds (distance) P-C4' energy: -134.754 flat angles C4'-P-C4' energy: -138.573 flat angles P-C4'-P energy: -83.551 tors. eta vs tors. theta energy: -72.691 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: 466 Temperature: 1.300000 Total energy: -1182.882418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.882418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.882418 (E_RNA) where: Base-Base interactions energy: -686.129 where: short stacking energy: -340.737 Base-Backbone interact. energy: 4.784 local terms energy: -501.537564 where: bonds (distance) C4'-P energy: -116.410 bonds (distance) P-C4' energy: -135.937 flat angles C4'-P-C4' energy: -145.468 flat angles P-C4'-P energy: -68.134 tors. eta vs tors. theta energy: -35.589 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: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -986.243413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.243413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.243413 (E_RNA) where: Base-Base interactions energy: -529.012 where: short stacking energy: -267.159 Base-Backbone interact. energy: -1.329 local terms energy: -455.902045 where: bonds (distance) C4'-P energy: -99.713 bonds (distance) P-C4' energy: -146.800 flat angles C4'-P-C4' energy: -133.545 flat angles P-C4'-P energy: -61.467 tors. eta vs tors. theta energy: -14.376 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: 1, replica: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2952.026106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.026106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.026106 (E_RNA) where: Base-Base interactions energy: -2031.610 where: short stacking energy: -855.118 Base-Backbone interact. energy: -2.337 local terms energy: -918.078985 where: bonds (distance) C4'-P energy: -172.652 bonds (distance) P-C4' energy: -169.028 flat angles C4'-P-C4' energy: -196.288 flat angles P-C4'-P energy: -133.444 tors. eta vs tors. theta energy: -246.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2767.373539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.373539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.373539 (E_RNA) where: Base-Base interactions energy: -1904.668 where: short stacking energy: -815.024 Base-Backbone interact. energy: -4.039 local terms energy: -858.667398 where: bonds (distance) C4'-P energy: -159.008 bonds (distance) P-C4' energy: -160.824 flat angles C4'-P-C4' energy: -180.527 flat angles P-C4'-P energy: -109.828 tors. eta vs tors. theta energy: -248.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2678.163645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.163645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.163645 (E_RNA) where: Base-Base interactions energy: -1821.068 where: short stacking energy: -782.606 Base-Backbone interact. energy: -2.939 local terms energy: -854.156189 where: bonds (distance) C4'-P energy: -149.668 bonds (distance) P-C4' energy: -166.559 flat angles C4'-P-C4' energy: -179.147 flat angles P-C4'-P energy: -126.094 tors. eta vs tors. theta energy: -232.688 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: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2584.826228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.826228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.826228 (E_RNA) where: Base-Base interactions energy: -1794.423 where: short stacking energy: -735.246 Base-Backbone interact. energy: -2.610 local terms energy: -787.793755 where: bonds (distance) C4'-P energy: -145.506 bonds (distance) P-C4' energy: -160.436 flat angles C4'-P-C4' energy: -152.671 flat angles P-C4'-P energy: -116.319 tors. eta vs tors. theta energy: -212.863 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: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2434.752782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.752782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.752782 (E_RNA) where: Base-Base interactions energy: -1649.234 where: short stacking energy: -716.904 Base-Backbone interact. energy: -2.183 local terms energy: -783.336061 where: bonds (distance) C4'-P energy: -157.413 bonds (distance) P-C4' energy: -141.248 flat angles C4'-P-C4' energy: -164.185 flat angles P-C4'-P energy: -106.830 tors. eta vs tors. theta energy: -213.660 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: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2118.391789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.391789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.391789 (E_RNA) where: Base-Base interactions energy: -1396.841 where: short stacking energy: -582.015 Base-Backbone interact. energy: -5.469 local terms energy: -716.081438 where: bonds (distance) C4'-P energy: -134.539 bonds (distance) P-C4' energy: -141.797 flat angles C4'-P-C4' energy: -160.336 flat angles P-C4'-P energy: -107.521 tors. eta vs tors. theta energy: -171.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1906.306478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.306478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.306478 (E_RNA) where: Base-Base interactions energy: -1232.695 where: short stacking energy: -558.900 Base-Backbone interact. energy: 3.040 local terms energy: -676.652010 where: bonds (distance) C4'-P energy: -162.520 bonds (distance) P-C4' energy: -137.871 flat angles C4'-P-C4' energy: -155.214 flat angles P-C4'-P energy: -88.514 tors. eta vs tors. theta energy: -132.533 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: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1475.564338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.564338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.564338 (E_RNA) where: Base-Base interactions energy: -900.662 where: short stacking energy: -410.645 Base-Backbone interact. energy: -1.995 local terms energy: -572.907043 where: bonds (distance) C4'-P energy: -142.488 bonds (distance) P-C4' energy: -134.755 flat angles C4'-P-C4' energy: -127.557 flat angles P-C4'-P energy: -100.186 tors. eta vs tors. theta energy: -67.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1099.668621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.668621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.668621 (E_RNA) where: Base-Base interactions energy: -594.121 where: short stacking energy: -300.517 Base-Backbone interact. energy: 2.038 local terms energy: -507.585622 where: bonds (distance) C4'-P energy: -136.872 bonds (distance) P-C4' energy: -142.668 flat angles C4'-P-C4' energy: -125.788 flat angles P-C4'-P energy: -79.165 tors. eta vs tors. theta energy: -23.093 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: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1006.747501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.747501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.747501 (E_RNA) where: Base-Base interactions energy: -559.686 where: short stacking energy: -288.740 Base-Backbone interact. energy: 6.170 local terms energy: -453.231286 where: bonds (distance) C4'-P energy: -137.437 bonds (distance) P-C4' energy: -131.241 flat angles C4'-P-C4' energy: -119.064 flat angles P-C4'-P energy: -40.425 tors. eta vs tors. theta energy: -25.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2904.373370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.373370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.373370 (E_RNA) where: Base-Base interactions energy: -2009.129 where: short stacking energy: -834.935 Base-Backbone interact. energy: -5.585 local terms energy: -889.659248 where: bonds (distance) C4'-P energy: -169.839 bonds (distance) P-C4' energy: -164.009 flat angles C4'-P-C4' energy: -190.473 flat angles P-C4'-P energy: -126.279 tors. eta vs tors. theta energy: -239.060 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: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2734.643727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.643727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.643727 (E_RNA) where: Base-Base interactions energy: -1838.550 where: short stacking energy: -793.064 Base-Backbone interact. energy: -5.632 local terms energy: -890.461979 where: bonds (distance) C4'-P energy: -165.330 bonds (distance) P-C4' energy: -163.827 flat angles C4'-P-C4' energy: -179.426 flat angles P-C4'-P energy: -139.372 tors. eta vs tors. theta energy: -242.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2685.055224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.055224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.055224 (E_RNA) where: Base-Base interactions energy: -1851.051 where: short stacking energy: -818.302 Base-Backbone interact. energy: -5.132 local terms energy: -828.872656 where: bonds (distance) C4'-P energy: -154.195 bonds (distance) P-C4' energy: -143.280 flat angles C4'-P-C4' energy: -189.747 flat angles P-C4'-P energy: -108.816 tors. eta vs tors. theta energy: -232.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2572.441784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.441784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.441784 (E_RNA) where: Base-Base interactions energy: -1787.842 where: short stacking energy: -759.913 Base-Backbone interact. energy: 3.439 local terms energy: -788.038949 where: bonds (distance) C4'-P energy: -146.058 bonds (distance) P-C4' energy: -141.516 flat angles C4'-P-C4' energy: -178.481 flat angles P-C4'-P energy: -106.281 tors. eta vs tors. theta energy: -215.702 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: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2365.920103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.920103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.920103 (E_RNA) where: Base-Base interactions energy: -1606.793 where: short stacking energy: -687.311 Base-Backbone interact. energy: -4.577 local terms energy: -754.549764 where: bonds (distance) C4'-P energy: -145.200 bonds (distance) P-C4' energy: -163.728 flat angles C4'-P-C4' energy: -162.081 flat angles P-C4'-P energy: -97.281 tors. eta vs tors. theta energy: -186.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2081.230695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.230695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.230695 (E_RNA) where: Base-Base interactions energy: -1396.343 where: short stacking energy: -578.495 Base-Backbone interact. energy: -3.221 local terms energy: -681.666644 where: bonds (distance) C4'-P energy: -128.224 bonds (distance) P-C4' energy: -143.524 flat angles C4'-P-C4' energy: -157.458 flat angles P-C4'-P energy: -92.846 tors. eta vs tors. theta energy: -159.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1878.327154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.327154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.327154 (E_RNA) where: Base-Base interactions energy: -1214.403 where: short stacking energy: -576.996 Base-Backbone interact. energy: -0.614 local terms energy: -663.310265 where: bonds (distance) C4'-P energy: -131.331 bonds (distance) P-C4' energy: -128.899 flat angles C4'-P-C4' energy: -154.887 flat angles P-C4'-P energy: -81.776 tors. eta vs tors. theta energy: -166.416 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: 468 Temperature: 1.250000 Total energy: -1450.522029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.522029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.522029 (E_RNA) where: Base-Base interactions energy: -890.302 where: short stacking energy: -441.020 Base-Backbone interact. energy: 1.407 local terms energy: -561.626390 where: bonds (distance) C4'-P energy: -127.811 bonds (distance) P-C4' energy: -135.974 flat angles C4'-P-C4' energy: -150.003 flat angles P-C4'-P energy: -68.397 tors. eta vs tors. theta energy: -79.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1165.655647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.655647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.655647 (E_RNA) where: Base-Base interactions energy: -663.110 where: short stacking energy: -330.127 Base-Backbone interact. energy: 1.329 local terms energy: -503.874370 where: bonds (distance) C4'-P energy: -113.761 bonds (distance) P-C4' energy: -144.106 flat angles C4'-P-C4' energy: -127.747 flat angles P-C4'-P energy: -93.177 tors. eta vs tors. theta energy: -25.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -961.322654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.322654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.322654 (E_RNA) where: Base-Base interactions energy: -469.480 where: short stacking energy: -267.373 Base-Backbone interact. energy: -1.375 local terms energy: -490.467177 where: bonds (distance) C4'-P energy: -127.977 bonds (distance) P-C4' energy: -154.973 flat angles C4'-P-C4' energy: -127.560 flat angles P-C4'-P energy: -63.145 tors. eta vs tors. theta energy: -16.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2928.157665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.157665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.157665 (E_RNA) where: Base-Base interactions energy: -2030.420 where: short stacking energy: -824.536 Base-Backbone interact. energy: -0.590 local terms energy: -897.148081 where: bonds (distance) C4'-P energy: -160.952 bonds (distance) P-C4' energy: -176.238 flat angles C4'-P-C4' energy: -191.812 flat angles P-C4'-P energy: -120.232 tors. eta vs tors. theta energy: -247.915 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: 469 Temperature: 0.950000 Total energy: -2759.715029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.715029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.715029 (E_RNA) where: Base-Base interactions energy: -1877.790 where: short stacking energy: -789.154 Base-Backbone interact. energy: -2.031 local terms energy: -879.893621 where: bonds (distance) C4'-P energy: -168.570 bonds (distance) P-C4' energy: -157.403 flat angles C4'-P-C4' energy: -185.673 flat angles P-C4'-P energy: -119.031 tors. eta vs tors. theta energy: -249.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2689.980365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.980365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.980365 (E_RNA) where: Base-Base interactions energy: -1830.439 where: short stacking energy: -767.257 Base-Backbone interact. energy: -6.398 local terms energy: -853.142601 where: bonds (distance) C4'-P energy: -151.244 bonds (distance) P-C4' energy: -156.568 flat angles C4'-P-C4' energy: -198.931 flat angles P-C4'-P energy: -108.840 tors. eta vs tors. theta energy: -237.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2597.729936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.729936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.729936 (E_RNA) where: Base-Base interactions energy: -1756.266 where: short stacking energy: -709.458 Base-Backbone interact. energy: -3.666 local terms energy: -837.797777 where: bonds (distance) C4'-P energy: -152.322 bonds (distance) P-C4' energy: -177.412 flat angles C4'-P-C4' energy: -184.808 flat angles P-C4'-P energy: -120.355 tors. eta vs tors. theta energy: -202.900 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: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2355.292319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.292319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.292319 (E_RNA) where: Base-Base interactions energy: -1581.760 where: short stacking energy: -687.046 Base-Backbone interact. energy: -0.719 local terms energy: -772.813126 where: bonds (distance) C4'-P energy: -143.986 bonds (distance) P-C4' energy: -154.726 flat angles C4'-P-C4' energy: -181.395 flat angles P-C4'-P energy: -95.938 tors. eta vs tors. theta energy: -196.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2064.405550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.405550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.405550 (E_RNA) where: Base-Base interactions energy: -1396.210 where: short stacking energy: -591.774 Base-Backbone interact. energy: -1.404 local terms energy: -666.791137 where: bonds (distance) C4'-P energy: -139.146 bonds (distance) P-C4' energy: -126.236 flat angles C4'-P-C4' energy: -164.031 flat angles P-C4'-P energy: -87.585 tors. eta vs tors. theta energy: -149.794 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: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1883.216740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.216740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.216740 (E_RNA) where: Base-Base interactions energy: -1178.247 where: short stacking energy: -552.848 Base-Backbone interact. energy: 1.900 local terms energy: -706.869834 where: bonds (distance) C4'-P energy: -142.427 bonds (distance) P-C4' energy: -176.421 flat angles C4'-P-C4' energy: -146.644 flat angles P-C4'-P energy: -103.230 tors. eta vs tors. theta energy: -138.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1442.439182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.439182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.439182 (E_RNA) where: Base-Base interactions energy: -862.589 where: short stacking energy: -416.420 Base-Backbone interact. energy: -1.142 local terms energy: -578.708658 where: bonds (distance) C4'-P energy: -139.151 bonds (distance) P-C4' energy: -145.907 flat angles C4'-P-C4' energy: -136.762 flat angles P-C4'-P energy: -100.662 tors. eta vs tors. theta energy: -56.226 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: 469 Temperature: 1.300000 Total energy: -1190.831255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.831255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.831255 (E_RNA) where: Base-Base interactions energy: -650.248 where: short stacking energy: -351.020 Base-Backbone interact. energy: -3.958 local terms energy: -536.625484 where: bonds (distance) C4'-P energy: -123.152 bonds (distance) P-C4' energy: -142.084 flat angles C4'-P-C4' energy: -130.054 flat angles P-C4'-P energy: -86.156 tors. eta vs tors. theta energy: -55.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -965.163687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.163687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.163687 (E_RNA) where: Base-Base interactions energy: -482.290 where: short stacking energy: -265.042 Base-Backbone interact. energy: 0.216 local terms energy: -483.090022 where: bonds (distance) C4'-P energy: -140.410 bonds (distance) P-C4' energy: -132.505 flat angles C4'-P-C4' energy: -124.849 flat angles P-C4'-P energy: -76.080 tors. eta vs tors. theta energy: -9.246 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: 470 Temperature: 0.900000 Total energy: -2906.341455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.341455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.341455 (E_RNA) where: Base-Base interactions energy: -2033.299 where: short stacking energy: -861.079 Base-Backbone interact. energy: -7.559 local terms energy: -865.483425 where: bonds (distance) C4'-P energy: -155.483 bonds (distance) P-C4' energy: -162.683 flat angles C4'-P-C4' energy: -191.354 flat angles P-C4'-P energy: -113.059 tors. eta vs tors. theta energy: -242.903 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: 8 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2758.527698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.527698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.527698 (E_RNA) where: Base-Base interactions energy: -1854.143 where: short stacking energy: -790.414 Base-Backbone interact. energy: -2.324 local terms energy: -902.060839 where: bonds (distance) C4'-P energy: -165.786 bonds (distance) P-C4' energy: -174.951 flat angles C4'-P-C4' energy: -186.350 flat angles P-C4'-P energy: -126.338 tors. eta vs tors. theta energy: -248.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2684.788644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.788644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.788644 (E_RNA) where: Base-Base interactions energy: -1811.510 where: short stacking energy: -791.936 Base-Backbone interact. energy: -3.394 local terms energy: -869.884909 where: bonds (distance) C4'-P energy: -156.108 bonds (distance) P-C4' energy: -161.920 flat angles C4'-P-C4' energy: -176.037 flat angles P-C4'-P energy: -132.729 tors. eta vs tors. theta energy: -243.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2589.803059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.803059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.803059 (E_RNA) where: Base-Base interactions energy: -1769.803 where: short stacking energy: -727.847 Base-Backbone interact. energy: -3.009 local terms energy: -816.991656 where: bonds (distance) C4'-P energy: -132.183 bonds (distance) P-C4' energy: -162.950 flat angles C4'-P-C4' energy: -185.852 flat angles P-C4'-P energy: -120.226 tors. eta vs tors. theta energy: -215.781 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: 5, replica: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2405.553687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.553687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.553687 (E_RNA) where: Base-Base interactions energy: -1586.419 where: short stacking energy: -705.337 Base-Backbone interact. energy: 1.411 local terms energy: -820.545706 where: bonds (distance) C4'-P energy: -172.422 bonds (distance) P-C4' energy: -159.552 flat angles C4'-P-C4' energy: -173.017 flat angles P-C4'-P energy: -118.241 tors. eta vs tors. theta energy: -197.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2152.730328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.730328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.730328 (E_RNA) where: Base-Base interactions energy: -1426.460 where: short stacking energy: -617.586 Base-Backbone interact. energy: 4.331 local terms energy: -730.601671 where: bonds (distance) C4'-P energy: -145.121 bonds (distance) P-C4' energy: -157.992 flat angles C4'-P-C4' energy: -154.665 flat angles P-C4'-P energy: -112.020 tors. eta vs tors. theta energy: -160.804 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: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1796.007176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.007176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.007176 (E_RNA) where: Base-Base interactions energy: -1139.763 where: short stacking energy: -510.601 Base-Backbone interact. energy: -1.664 local terms energy: -654.581072 where: bonds (distance) C4'-P energy: -141.749 bonds (distance) P-C4' energy: -144.210 flat angles C4'-P-C4' energy: -161.646 flat angles P-C4'-P energy: -97.000 tors. eta vs tors. theta energy: -109.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1483.192088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.192088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.192088 (E_RNA) where: Base-Base interactions energy: -884.679 where: short stacking energy: -399.862 Base-Backbone interact. energy: 0.297 local terms energy: -598.810595 where: bonds (distance) C4'-P energy: -129.512 bonds (distance) P-C4' energy: -147.501 flat angles C4'-P-C4' energy: -148.713 flat angles P-C4'-P energy: -79.405 tors. eta vs tors. theta energy: -93.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1178.621039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.621039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.621039 (E_RNA) where: Base-Base interactions energy: -688.491 where: short stacking energy: -361.427 Base-Backbone interact. energy: -0.653 local terms energy: -489.476556 where: bonds (distance) C4'-P energy: -151.821 bonds (distance) P-C4' energy: -127.450 flat angles C4'-P-C4' energy: -113.969 flat angles P-C4'-P energy: -60.017 tors. eta vs tors. theta energy: -36.220 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: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -934.626725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.626725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.626725 (E_RNA) where: Base-Base interactions energy: -489.734 where: short stacking energy: -268.404 Base-Backbone interact. energy: -3.432 local terms energy: -441.459987 where: bonds (distance) C4'-P energy: -130.508 bonds (distance) P-C4' energy: -115.571 flat angles C4'-P-C4' energy: -116.515 flat angles P-C4'-P energy: -75.389 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: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2909.168414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.168414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.168414 (E_RNA) where: Base-Base interactions energy: -2036.807 where: short stacking energy: -858.370 Base-Backbone interact. energy: -4.417 local terms energy: -867.943726 where: bonds (distance) C4'-P energy: -163.410 bonds (distance) P-C4' energy: -161.837 flat angles C4'-P-C4' energy: -189.235 flat angles P-C4'-P energy: -113.114 tors. eta vs tors. theta energy: -240.348 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: 8 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2735.757585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.757585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.757585 (E_RNA) where: Base-Base interactions energy: -1849.074 where: short stacking energy: -835.815 Base-Backbone interact. energy: 0.047 local terms energy: -886.730605 where: bonds (distance) C4'-P energy: -180.328 bonds (distance) P-C4' energy: -155.962 flat angles C4'-P-C4' energy: -183.342 flat angles P-C4'-P energy: -118.189 tors. eta vs tors. theta energy: -248.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2724.624500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.624500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.624500 (E_RNA) where: Base-Base interactions energy: -1845.370 where: short stacking energy: -794.745 Base-Backbone interact. energy: -0.858 local terms energy: -878.396416 where: bonds (distance) C4'-P energy: -143.313 bonds (distance) P-C4' energy: -168.207 flat angles C4'-P-C4' energy: -192.388 flat angles P-C4'-P energy: -123.090 tors. eta vs tors. theta energy: -251.399 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: 4, replica: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2586.038016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.038016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.038016 (E_RNA) where: Base-Base interactions energy: -1801.374 where: short stacking energy: -739.523 Base-Backbone interact. energy: -1.935 local terms energy: -782.728946 where: bonds (distance) C4'-P energy: -141.944 bonds (distance) P-C4' energy: -149.499 flat angles C4'-P-C4' energy: -176.421 flat angles P-C4'-P energy: -111.976 tors. eta vs tors. theta energy: -202.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2373.683217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.683217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.683217 (E_RNA) where: Base-Base interactions energy: -1629.718 where: short stacking energy: -695.991 Base-Backbone interact. energy: -2.216 local terms energy: -741.749310 where: bonds (distance) C4'-P energy: -133.112 bonds (distance) P-C4' energy: -140.152 flat angles C4'-P-C4' energy: -159.338 flat angles P-C4'-P energy: -114.419 tors. eta vs tors. theta energy: -194.727 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: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2204.457803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.457803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.457803 (E_RNA) where: Base-Base interactions energy: -1477.011 where: short stacking energy: -654.903 Base-Backbone interact. energy: -2.996 local terms energy: -724.450357 where: bonds (distance) C4'-P energy: -141.036 bonds (distance) P-C4' energy: -128.094 flat angles C4'-P-C4' energy: -158.442 flat angles P-C4'-P energy: -107.998 tors. eta vs tors. theta energy: -188.880 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: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1867.326127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.326127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.326127 (E_RNA) where: Base-Base interactions energy: -1203.430 where: short stacking energy: -552.848 Base-Backbone interact. energy: 3.965 local terms energy: -667.861265 where: bonds (distance) C4'-P energy: -144.698 bonds (distance) P-C4' energy: -144.301 flat angles C4'-P-C4' energy: -150.531 flat angles P-C4'-P energy: -95.857 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: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1550.177587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.177587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.177587 (E_RNA) where: Base-Base interactions energy: -940.315 where: short stacking energy: -416.584 Base-Backbone interact. energy: 2.822 local terms energy: -612.684663 where: bonds (distance) C4'-P energy: -136.025 bonds (distance) P-C4' energy: -143.103 flat angles C4'-P-C4' energy: -136.696 flat angles P-C4'-P energy: -97.198 tors. eta vs tors. theta energy: -99.663 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: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1122.059429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.059429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.059429 (E_RNA) where: Base-Base interactions energy: -592.842 where: short stacking energy: -294.312 Base-Backbone interact. energy: -2.738 local terms energy: -526.479735 where: bonds (distance) C4'-P energy: -135.909 bonds (distance) P-C4' energy: -148.867 flat angles C4'-P-C4' energy: -123.062 flat angles P-C4'-P energy: -79.368 tors. eta vs tors. theta energy: -39.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -947.958719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.958719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.958719 (E_RNA) where: Base-Base interactions energy: -498.727 where: short stacking energy: -276.697 Base-Backbone interact. energy: 2.993 local terms energy: -452.224114 where: bonds (distance) C4'-P energy: -115.447 bonds (distance) P-C4' energy: -126.031 flat angles C4'-P-C4' energy: -118.011 flat angles P-C4'-P energy: -81.551 tors. eta vs tors. theta energy: -11.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2904.824910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.824910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.824910 (E_RNA) where: Base-Base interactions energy: -1992.025 where: short stacking energy: -806.526 Base-Backbone interact. energy: -3.466 local terms energy: -909.333612 where: bonds (distance) C4'-P energy: -170.903 bonds (distance) P-C4' energy: -168.391 flat angles C4'-P-C4' energy: -193.787 flat angles P-C4'-P energy: -129.766 tors. eta vs tors. theta energy: -246.487 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: 8 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2741.138356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.138356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.138356 (E_RNA) where: Base-Base interactions energy: -1883.015 where: short stacking energy: -801.149 Base-Backbone interact. energy: -0.854 local terms energy: -857.268468 where: bonds (distance) C4'-P energy: -168.482 bonds (distance) P-C4' energy: -163.002 flat angles C4'-P-C4' energy: -180.858 flat angles P-C4'-P energy: -110.369 tors. eta vs tors. theta energy: -234.558 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: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2745.614179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.614179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.614179 (E_RNA) where: Base-Base interactions energy: -1864.648 where: short stacking energy: -812.572 Base-Backbone interact. energy: -3.280 local terms energy: -877.686674 where: bonds (distance) C4'-P energy: -159.136 bonds (distance) P-C4' energy: -166.726 flat angles C4'-P-C4' energy: -185.125 flat angles P-C4'-P energy: -117.151 tors. eta vs tors. theta energy: -249.549 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: 4, replica: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2598.618106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.618106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.618106 (E_RNA) where: Base-Base interactions energy: -1785.712 where: short stacking energy: -786.185 Base-Backbone interact. energy: -5.644 local terms energy: -807.261954 where: bonds (distance) C4'-P energy: -139.636 bonds (distance) P-C4' energy: -128.435 flat angles C4'-P-C4' energy: -179.828 flat angles P-C4'-P energy: -126.350 tors. eta vs tors. theta energy: -233.013 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: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2422.640434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.640434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.640434 (E_RNA) where: Base-Base interactions energy: -1623.043 where: short stacking energy: -691.177 Base-Backbone interact. energy: -2.477 local terms energy: -797.120352 where: bonds (distance) C4'-P energy: -151.617 bonds (distance) P-C4' energy: -144.272 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -118.864 tors. eta vs tors. theta energy: -215.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2188.751420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.751420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.751420 (E_RNA) where: Base-Base interactions energy: -1445.646 where: short stacking energy: -603.961 Base-Backbone interact. energy: -5.819 local terms energy: -737.285786 where: bonds (distance) C4'-P energy: -151.372 bonds (distance) P-C4' energy: -145.083 flat angles C4'-P-C4' energy: -160.055 flat angles P-C4'-P energy: -102.488 tors. eta vs tors. theta energy: -178.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1778.207339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.207339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.207339 (E_RNA) where: Base-Base interactions energy: -1163.075 where: short stacking energy: -494.223 Base-Backbone interact. energy: 0.363 local terms energy: -615.494625 where: bonds (distance) C4'-P energy: -133.476 bonds (distance) P-C4' energy: -136.848 flat angles C4'-P-C4' energy: -131.194 flat angles P-C4'-P energy: -99.331 tors. eta vs tors. theta energy: -114.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1517.271297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.271297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.271297 (E_RNA) where: Base-Base interactions energy: -930.969 where: short stacking energy: -420.103 Base-Backbone interact. energy: -1.975 local terms energy: -584.327092 where: bonds (distance) C4'-P energy: -131.201 bonds (distance) P-C4' energy: -121.582 flat angles C4'-P-C4' energy: -146.836 flat angles P-C4'-P energy: -96.722 tors. eta vs tors. theta energy: -87.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1104.724188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.724188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.724188 (E_RNA) where: Base-Base interactions energy: -618.093 where: short stacking energy: -308.829 Base-Backbone interact. energy: 4.473 local terms energy: -491.103685 where: bonds (distance) C4'-P energy: -124.135 bonds (distance) P-C4' energy: -144.088 flat angles C4'-P-C4' energy: -136.133 flat angles P-C4'-P energy: -69.791 tors. eta vs tors. theta energy: -16.956 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: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -961.584913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.584913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.584913 (E_RNA) where: Base-Base interactions energy: -532.629 where: short stacking energy: -288.800 Base-Backbone interact. energy: -2.694 local terms energy: -426.262265 where: bonds (distance) C4'-P energy: -115.693 bonds (distance) P-C4' energy: -125.912 flat angles C4'-P-C4' energy: -104.952 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -11.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2906.597899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.597899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.597899 (E_RNA) where: Base-Base interactions energy: -2026.154 where: short stacking energy: -823.421 Base-Backbone interact. energy: -2.274 local terms energy: -878.170427 where: bonds (distance) C4'-P energy: -162.582 bonds (distance) P-C4' energy: -162.992 flat angles C4'-P-C4' energy: -201.581 flat angles P-C4'-P energy: -113.744 tors. eta vs tors. theta energy: -237.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2794.373436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.373436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.373436 (E_RNA) where: Base-Base interactions energy: -1890.405 where: short stacking energy: -794.013 Base-Backbone interact. energy: -1.307 local terms energy: -902.661212 where: bonds (distance) C4'-P energy: -167.239 bonds (distance) P-C4' energy: -179.588 flat angles C4'-P-C4' energy: -186.129 flat angles P-C4'-P energy: -118.455 tors. eta vs tors. theta energy: -251.250 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: 473 Temperature: 1.000000 Total energy: -2699.771652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.771652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.771652 (E_RNA) where: Base-Base interactions energy: -1835.367 where: short stacking energy: -796.540 Base-Backbone interact. energy: -3.973 local terms energy: -860.431459 where: bonds (distance) C4'-P energy: -171.881 bonds (distance) P-C4' energy: -150.777 flat angles C4'-P-C4' energy: -175.311 flat angles P-C4'-P energy: -114.991 tors. eta vs tors. theta energy: -247.471 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: 2 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2637.061730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.061730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.061730 (E_RNA) where: Base-Base interactions energy: -1831.355 where: short stacking energy: -759.713 Base-Backbone interact. energy: -3.161 local terms energy: -802.545434 where: bonds (distance) C4'-P energy: -140.923 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -173.265 flat angles P-C4'-P energy: -113.528 tors. eta vs tors. theta energy: -222.772 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: 9 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2402.835312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.835312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.835312 (E_RNA) where: Base-Base interactions energy: -1607.623 where: short stacking energy: -718.580 Base-Backbone interact. energy: -1.646 local terms energy: -793.567087 where: bonds (distance) C4'-P energy: -147.464 bonds (distance) P-C4' energy: -147.789 flat angles C4'-P-C4' energy: -180.712 flat angles P-C4'-P energy: -105.660 tors. eta vs tors. theta energy: -211.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2189.520430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.520430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.520430 (E_RNA) where: Base-Base interactions energy: -1458.909 where: short stacking energy: -646.348 Base-Backbone interact. energy: 0.999 local terms energy: -731.610524 where: bonds (distance) C4'-P energy: -148.627 bonds (distance) P-C4' energy: -161.377 flat angles C4'-P-C4' energy: -142.715 flat angles P-C4'-P energy: -110.327 tors. eta vs tors. theta energy: -168.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1800.923539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.923539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.923539 (E_RNA) where: Base-Base interactions energy: -1137.660 where: short stacking energy: -511.329 Base-Backbone interact. energy: 0.028 local terms energy: -663.292506 where: bonds (distance) C4'-P energy: -149.911 bonds (distance) P-C4' energy: -139.939 flat angles C4'-P-C4' energy: -148.052 flat angles P-C4'-P energy: -97.170 tors. eta vs tors. theta energy: -128.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1559.302805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.302805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.302805 (E_RNA) where: Base-Base interactions energy: -997.631 where: short stacking energy: -462.024 Base-Backbone interact. energy: 0.716 local terms energy: -562.387391 where: bonds (distance) C4'-P energy: -131.394 bonds (distance) P-C4' energy: -127.227 flat angles C4'-P-C4' energy: -121.287 flat angles P-C4'-P energy: -95.979 tors. eta vs tors. theta energy: -86.499 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: 473 Temperature: 1.300000 Total energy: -1160.236483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.236483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.236483 (E_RNA) where: Base-Base interactions energy: -666.419 where: short stacking energy: -306.921 Base-Backbone interact. energy: 0.843 local terms energy: -494.660644 where: bonds (distance) C4'-P energy: -135.206 bonds (distance) P-C4' energy: -120.139 flat angles C4'-P-C4' energy: -126.783 flat angles P-C4'-P energy: -67.824 tors. eta vs tors. theta energy: -44.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -939.495276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.495276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.495276 (E_RNA) where: Base-Base interactions energy: -496.608 where: short stacking energy: -271.705 Base-Backbone interact. energy: 2.134 local terms energy: -445.020832 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -123.974 flat angles C4'-P-C4' energy: -120.486 flat angles P-C4'-P energy: -70.476 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2894.392946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.392946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.392946 (E_RNA) where: Base-Base interactions energy: -2001.439 where: short stacking energy: -815.643 Base-Backbone interact. energy: -2.673 local terms energy: -890.280748 where: bonds (distance) C4'-P energy: -156.127 bonds (distance) P-C4' energy: -171.920 flat angles C4'-P-C4' energy: -189.040 flat angles P-C4'-P energy: -134.507 tors. eta vs tors. theta energy: -238.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2850.651120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.651120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.651120 (E_RNA) where: Base-Base interactions energy: -1943.937 where: short stacking energy: -831.207 Base-Backbone interact. energy: -2.170 local terms energy: -904.543992 where: bonds (distance) C4'-P energy: -160.756 bonds (distance) P-C4' energy: -167.137 flat angles C4'-P-C4' energy: -200.417 flat angles P-C4'-P energy: -117.335 tors. eta vs tors. theta energy: -258.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2659.839972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.839972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.839972 (E_RNA) where: Base-Base interactions energy: -1764.369 where: short stacking energy: -785.320 Base-Backbone interact. energy: -3.514 local terms energy: -891.956957 where: bonds (distance) C4'-P energy: -167.482 bonds (distance) P-C4' energy: -159.646 flat angles C4'-P-C4' energy: -185.097 flat angles P-C4'-P energy: -133.038 tors. eta vs tors. theta energy: -246.693 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: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2635.287189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.287189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.287189 (E_RNA) where: Base-Base interactions energy: -1856.477 where: short stacking energy: -767.564 Base-Backbone interact. energy: -1.279 local terms energy: -777.531711 where: bonds (distance) C4'-P energy: -153.794 bonds (distance) P-C4' energy: -136.701 flat angles C4'-P-C4' energy: -177.427 flat angles P-C4'-P energy: -93.230 tors. eta vs tors. theta energy: -216.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2334.114170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.114170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.114170 (E_RNA) where: Base-Base interactions energy: -1530.593 where: short stacking energy: -656.846 Base-Backbone interact. energy: -2.459 local terms energy: -801.061822 where: bonds (distance) C4'-P energy: -152.140 bonds (distance) P-C4' energy: -162.925 flat angles C4'-P-C4' energy: -176.037 flat angles P-C4'-P energy: -111.940 tors. eta vs tors. theta energy: -198.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2143.001935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.001935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.001935 (E_RNA) where: Base-Base interactions energy: -1414.077 where: short stacking energy: -618.790 Base-Backbone interact. energy: 1.926 local terms energy: -730.850704 where: bonds (distance) C4'-P energy: -132.454 bonds (distance) P-C4' energy: -151.687 flat angles C4'-P-C4' energy: -160.746 flat angles P-C4'-P energy: -111.728 tors. eta vs tors. theta energy: -174.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1858.728211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.728211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.728211 (E_RNA) where: Base-Base interactions energy: -1180.269 where: short stacking energy: -537.781 Base-Backbone interact. energy: -2.002 local terms energy: -676.456815 where: bonds (distance) C4'-P energy: -147.910 bonds (distance) P-C4' energy: -157.622 flat angles C4'-P-C4' energy: -147.728 flat angles P-C4'-P energy: -99.001 tors. eta vs tors. theta energy: -124.195 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: 474 Temperature: 1.250000 Total energy: -1611.237453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.237453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.237453 (E_RNA) where: Base-Base interactions energy: -1028.155 where: short stacking energy: -478.743 Base-Backbone interact. energy: -1.039 local terms energy: -582.043174 where: bonds (distance) C4'-P energy: -122.918 bonds (distance) P-C4' energy: -154.716 flat angles C4'-P-C4' energy: -132.836 flat angles P-C4'-P energy: -74.122 tors. eta vs tors. theta energy: -97.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1172.629357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.629357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.629357 (E_RNA) where: Base-Base interactions energy: -683.273 where: short stacking energy: -339.767 Base-Backbone interact. energy: 0.396 local terms energy: -489.752089 where: bonds (distance) C4'-P energy: -126.152 bonds (distance) P-C4' energy: -139.014 flat angles C4'-P-C4' energy: -140.580 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -28.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -955.660697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.660697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.660697 (E_RNA) where: Base-Base interactions energy: -503.905 where: short stacking energy: -275.193 Base-Backbone interact. energy: -2.910 local terms energy: -448.846405 where: bonds (distance) C4'-P energy: -125.998 bonds (distance) P-C4' energy: -119.472 flat angles C4'-P-C4' energy: -131.808 flat angles P-C4'-P energy: -72.463 tors. eta vs tors. theta energy: 0.896 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: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2895.551708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.551708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.551708 (E_RNA) where: Base-Base interactions energy: -1997.411 where: short stacking energy: -831.821 Base-Backbone interact. energy: -1.086 local terms energy: -897.054931 where: bonds (distance) C4'-P energy: -180.096 bonds (distance) P-C4' energy: -158.206 flat angles C4'-P-C4' energy: -188.309 flat angles P-C4'-P energy: -128.040 tors. eta vs tors. theta energy: -242.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2825.880701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.880701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.880701 (E_RNA) where: Base-Base interactions energy: -1905.413 where: short stacking energy: -833.235 Base-Backbone interact. energy: -4.673 local terms energy: -915.795119 where: bonds (distance) C4'-P energy: -161.012 bonds (distance) P-C4' energy: -172.374 flat angles C4'-P-C4' energy: -186.371 flat angles P-C4'-P energy: -130.140 tors. eta vs tors. theta energy: -265.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2620.842492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.842492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.842492 (E_RNA) where: Base-Base interactions energy: -1771.174 where: short stacking energy: -767.245 Base-Backbone interact. energy: -3.925 local terms energy: -845.743956 where: bonds (distance) C4'-P energy: -147.272 bonds (distance) P-C4' energy: -154.243 flat angles C4'-P-C4' energy: -187.926 flat angles P-C4'-P energy: -122.097 tors. eta vs tors. theta energy: -234.206 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: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2602.606513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.606513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.606513 (E_RNA) where: Base-Base interactions energy: -1786.168 where: short stacking energy: -727.799 Base-Backbone interact. energy: -3.894 local terms energy: -812.544718 where: bonds (distance) C4'-P energy: -155.163 bonds (distance) P-C4' energy: -160.951 flat angles C4'-P-C4' energy: -167.750 flat angles P-C4'-P energy: -115.300 tors. eta vs tors. theta energy: -213.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2337.041498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.041498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.041498 (E_RNA) where: Base-Base interactions energy: -1576.443 where: short stacking energy: -691.860 Base-Backbone interact. energy: -2.128 local terms energy: -758.470798 where: bonds (distance) C4'-P energy: -157.254 bonds (distance) P-C4' energy: -135.003 flat angles C4'-P-C4' energy: -169.672 flat angles P-C4'-P energy: -111.113 tors. eta vs tors. theta energy: -185.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2187.399945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.399945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.399945 (E_RNA) where: Base-Base interactions energy: -1473.377 where: short stacking energy: -640.531 Base-Backbone interact. energy: 1.064 local terms energy: -715.087537 where: bonds (distance) C4'-P energy: -142.468 bonds (distance) P-C4' energy: -136.314 flat angles C4'-P-C4' energy: -154.077 flat angles P-C4'-P energy: -103.465 tors. eta vs tors. theta energy: -178.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1854.014837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.014837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.014837 (E_RNA) where: Base-Base interactions energy: -1199.409 where: short stacking energy: -529.406 Base-Backbone interact. energy: 3.570 local terms energy: -658.175753 where: bonds (distance) C4'-P energy: -140.335 bonds (distance) P-C4' energy: -152.472 flat angles C4'-P-C4' energy: -150.859 flat angles P-C4'-P energy: -81.134 tors. eta vs tors. theta energy: -133.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1641.212104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.212104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.212104 (E_RNA) where: Base-Base interactions energy: -1034.081 where: short stacking energy: -468.770 Base-Backbone interact. energy: 2.229 local terms energy: -609.360035 where: bonds (distance) C4'-P energy: -131.672 bonds (distance) P-C4' energy: -136.295 flat angles C4'-P-C4' energy: -153.017 flat angles P-C4'-P energy: -89.927 tors. eta vs tors. theta energy: -98.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1172.238961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.238961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.238961 (E_RNA) where: Base-Base interactions energy: -663.231 where: short stacking energy: -324.461 Base-Backbone interact. energy: -0.340 local terms energy: -508.668097 where: bonds (distance) C4'-P energy: -129.499 bonds (distance) P-C4' energy: -132.590 flat angles C4'-P-C4' energy: -127.686 flat angles P-C4'-P energy: -80.908 tors. eta vs tors. theta energy: -37.985 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: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -956.906072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.906072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.906072 (E_RNA) where: Base-Base interactions energy: -487.286 where: short stacking energy: -257.575 Base-Backbone interact. energy: 4.170 local terms energy: -473.789282 where: bonds (distance) C4'-P energy: -145.295 bonds (distance) P-C4' energy: -119.182 flat angles C4'-P-C4' energy: -116.319 flat angles P-C4'-P energy: -83.858 tors. eta vs tors. theta energy: -9.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2923.702101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.702101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.702101 (E_RNA) where: Base-Base interactions energy: -2023.616 where: short stacking energy: -808.098 Base-Backbone interact. energy: -0.093 local terms energy: -899.993209 where: bonds (distance) C4'-P energy: -162.500 bonds (distance) P-C4' energy: -176.199 flat angles C4'-P-C4' energy: -188.289 flat angles P-C4'-P energy: -125.282 tors. eta vs tors. theta energy: -247.724 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: 476 Temperature: 0.950000 Total energy: -2781.174566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.174566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.174566 (E_RNA) where: Base-Base interactions energy: -1903.045 where: short stacking energy: -818.292 Base-Backbone interact. energy: -0.567 local terms energy: -877.563263 where: bonds (distance) C4'-P energy: -150.791 bonds (distance) P-C4' energy: -174.906 flat angles C4'-P-C4' energy: -165.106 flat angles P-C4'-P energy: -129.802 tors. eta vs tors. theta energy: -256.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2616.345122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.345122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.345122 (E_RNA) where: Base-Base interactions energy: -1806.168 where: short stacking energy: -726.760 Base-Backbone interact. energy: -3.858 local terms energy: -806.319886 where: bonds (distance) C4'-P energy: -139.266 bonds (distance) P-C4' energy: -162.044 flat angles C4'-P-C4' energy: -187.734 flat angles P-C4'-P energy: -114.402 tors. eta vs tors. theta energy: -202.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2557.517511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.517511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.517511 (E_RNA) where: Base-Base interactions energy: -1700.292 where: short stacking energy: -750.783 Base-Backbone interact. energy: -2.134 local terms energy: -855.091412 where: bonds (distance) C4'-P energy: -163.666 bonds (distance) P-C4' energy: -163.764 flat angles C4'-P-C4' energy: -182.535 flat angles P-C4'-P energy: -120.879 tors. eta vs tors. theta energy: -224.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2368.617136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.617136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.617136 (E_RNA) where: Base-Base interactions energy: -1572.118 where: short stacking energy: -694.805 Base-Backbone interact. energy: -3.145 local terms energy: -793.354277 where: bonds (distance) C4'-P energy: -161.816 bonds (distance) P-C4' energy: -150.224 flat angles C4'-P-C4' energy: -170.005 flat angles P-C4'-P energy: -115.446 tors. eta vs tors. theta energy: -195.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2188.973093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.973093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.973093 (E_RNA) where: Base-Base interactions energy: -1468.709 where: short stacking energy: -617.938 Base-Backbone interact. energy: -6.339 local terms energy: -713.924274 where: bonds (distance) C4'-P energy: -151.137 bonds (distance) P-C4' energy: -144.618 flat angles C4'-P-C4' energy: -155.778 flat angles P-C4'-P energy: -92.927 tors. eta vs tors. theta energy: -169.464 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: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1856.262463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.262463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.262463 (E_RNA) where: Base-Base interactions energy: -1239.299 where: short stacking energy: -529.875 Base-Backbone interact. energy: 8.680 local terms energy: -625.643137 where: bonds (distance) C4'-P energy: -136.329 bonds (distance) P-C4' energy: -128.683 flat angles C4'-P-C4' energy: -143.932 flat angles P-C4'-P energy: -98.124 tors. eta vs tors. theta energy: -118.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1597.207743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.207743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.207743 (E_RNA) where: Base-Base interactions energy: -979.310 where: short stacking energy: -440.429 Base-Backbone interact. energy: 3.024 local terms energy: -620.921810 where: bonds (distance) C4'-P energy: -159.707 bonds (distance) P-C4' energy: -131.998 flat angles C4'-P-C4' energy: -154.739 flat angles P-C4'-P energy: -91.214 tors. eta vs tors. theta energy: -83.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1118.180497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.180497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.180497 (E_RNA) where: Base-Base interactions energy: -606.983 where: short stacking energy: -322.028 Base-Backbone interact. energy: 1.314 local terms energy: -512.511667 where: bonds (distance) C4'-P energy: -149.396 bonds (distance) P-C4' energy: -130.768 flat angles C4'-P-C4' energy: -125.456 flat angles P-C4'-P energy: -64.990 tors. eta vs tors. theta energy: -41.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -978.191249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.191249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.191249 (E_RNA) where: Base-Base interactions energy: -545.065 where: short stacking energy: -268.828 Base-Backbone interact. energy: -1.552 local terms energy: -431.574334 where: bonds (distance) C4'-P energy: -120.797 bonds (distance) P-C4' energy: -145.259 flat angles C4'-P-C4' energy: -92.291 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2940.383469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.383469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.383469 (E_RNA) where: Base-Base interactions energy: -2073.203 where: short stacking energy: -840.735 Base-Backbone interact. energy: -1.270 local terms energy: -865.910953 where: bonds (distance) C4'-P energy: -149.887 bonds (distance) P-C4' energy: -154.016 flat angles C4'-P-C4' energy: -189.385 flat angles P-C4'-P energy: -118.841 tors. eta vs tors. theta energy: -253.782 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: 2, replica: 3 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2818.205139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.205139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.205139 (E_RNA) where: Base-Base interactions energy: -1901.456 where: short stacking energy: -832.684 Base-Backbone interact. energy: -3.147 local terms energy: -913.602174 where: bonds (distance) C4'-P energy: -161.613 bonds (distance) P-C4' energy: -166.171 flat angles C4'-P-C4' energy: -196.111 flat angles P-C4'-P energy: -124.362 tors. eta vs tors. theta energy: -265.345 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: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2668.993702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.993702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.993702 (E_RNA) where: Base-Base interactions energy: -1831.577 where: short stacking energy: -711.629 Base-Backbone interact. energy: -6.654 local terms energy: -830.762996 where: bonds (distance) C4'-P energy: -167.162 bonds (distance) P-C4' energy: -157.228 flat angles C4'-P-C4' energy: -183.541 flat angles P-C4'-P energy: -116.190 tors. eta vs tors. theta energy: -206.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2558.796207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.796207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.796207 (E_RNA) where: Base-Base interactions energy: -1731.273 where: short stacking energy: -756.577 Base-Backbone interact. energy: -5.219 local terms energy: -822.304242 where: bonds (distance) C4'-P energy: -153.050 bonds (distance) P-C4' energy: -159.982 flat angles C4'-P-C4' energy: -169.298 flat angles P-C4'-P energy: -108.504 tors. eta vs tors. theta energy: -231.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2348.921964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.921964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.921964 (E_RNA) where: Base-Base interactions energy: -1587.049 where: short stacking energy: -680.470 Base-Backbone interact. energy: -0.307 local terms energy: -761.565738 where: bonds (distance) C4'-P energy: -150.007 bonds (distance) P-C4' energy: -142.788 flat angles C4'-P-C4' energy: -155.245 flat angles P-C4'-P energy: -118.935 tors. eta vs tors. theta energy: -194.590 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: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2207.072428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.072428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.072428 (E_RNA) where: Base-Base interactions energy: -1475.943 where: short stacking energy: -629.569 Base-Backbone interact. energy: -2.845 local terms energy: -728.284348 where: bonds (distance) C4'-P energy: -147.036 bonds (distance) P-C4' energy: -158.477 flat angles C4'-P-C4' energy: -156.345 flat angles P-C4'-P energy: -87.138 tors. eta vs tors. theta energy: -179.288 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: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1862.540551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.540551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.540551 (E_RNA) where: Base-Base interactions energy: -1181.167 where: short stacking energy: -509.437 Base-Backbone interact. energy: -0.977 local terms energy: -680.396442 where: bonds (distance) C4'-P energy: -151.402 bonds (distance) P-C4' energy: -144.232 flat angles C4'-P-C4' energy: -164.890 flat angles P-C4'-P energy: -88.872 tors. eta vs tors. theta energy: -131.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1538.258485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.258485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.258485 (E_RNA) where: Base-Base interactions energy: -944.994 where: short stacking energy: -423.909 Base-Backbone interact. energy: -1.330 local terms energy: -591.934732 where: bonds (distance) C4'-P energy: -140.639 bonds (distance) P-C4' energy: -162.562 flat angles C4'-P-C4' energy: -128.752 flat angles P-C4'-P energy: -88.734 tors. eta vs tors. theta energy: -71.248 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: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1134.597869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.597869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.597869 (E_RNA) where: Base-Base interactions energy: -664.540 where: short stacking energy: -343.702 Base-Backbone interact. energy: 7.593 local terms energy: -477.651019 where: bonds (distance) C4'-P energy: -120.824 bonds (distance) P-C4' energy: -125.526 flat angles C4'-P-C4' energy: -128.322 flat angles P-C4'-P energy: -87.768 tors. eta vs tors. theta energy: -15.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -939.373609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.373609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.373609 (E_RNA) where: Base-Base interactions energy: -472.333 where: short stacking energy: -277.236 Base-Backbone interact. energy: 3.640 local terms energy: -470.680136 where: bonds (distance) C4'-P energy: -140.371 bonds (distance) P-C4' energy: -119.877 flat angles C4'-P-C4' energy: -120.613 flat angles P-C4'-P energy: -80.272 tors. eta vs tors. theta energy: -9.547 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: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2909.515053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.515053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.515053 (E_RNA) where: Base-Base interactions energy: -2005.779 where: short stacking energy: -823.910 Base-Backbone interact. energy: -3.983 local terms energy: -899.752814 where: bonds (distance) C4'-P energy: -165.074 bonds (distance) P-C4' energy: -164.495 flat angles C4'-P-C4' energy: -200.035 flat angles P-C4'-P energy: -133.968 tors. eta vs tors. theta energy: -236.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2804.074806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.074806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.074806 (E_RNA) where: Base-Base interactions energy: -1928.912 where: short stacking energy: -838.769 Base-Backbone interact. energy: -1.024 local terms energy: -874.139219 where: bonds (distance) C4'-P energy: -146.524 bonds (distance) P-C4' energy: -162.528 flat angles C4'-P-C4' energy: -180.038 flat angles P-C4'-P energy: -122.408 tors. eta vs tors. theta energy: -262.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2642.352640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.352640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.352640 (E_RNA) where: Base-Base interactions energy: -1815.935 where: short stacking energy: -743.094 Base-Backbone interact. energy: -6.113 local terms energy: -820.304503 where: bonds (distance) C4'-P energy: -162.615 bonds (distance) P-C4' energy: -171.435 flat angles C4'-P-C4' energy: -176.701 flat angles P-C4'-P energy: -105.560 tors. eta vs tors. theta energy: -203.993 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: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2535.922201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.922201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.922201 (E_RNA) where: Base-Base interactions energy: -1730.795 where: short stacking energy: -723.283 Base-Backbone interact. energy: -2.149 local terms energy: -802.977754 where: bonds (distance) C4'-P energy: -151.164 bonds (distance) P-C4' energy: -147.158 flat angles C4'-P-C4' energy: -173.570 flat angles P-C4'-P energy: -108.600 tors. eta vs tors. theta energy: -222.486 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: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2343.339296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.339296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.339296 (E_RNA) where: Base-Base interactions energy: -1574.196 where: short stacking energy: -709.771 Base-Backbone interact. energy: -2.436 local terms energy: -766.707833 where: bonds (distance) C4'-P energy: -132.996 bonds (distance) P-C4' energy: -154.787 flat angles C4'-P-C4' energy: -164.284 flat angles P-C4'-P energy: -110.977 tors. eta vs tors. theta energy: -203.664 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: 478 Temperature: 1.150000 Total energy: -2225.863810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.863810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.863810 (E_RNA) where: Base-Base interactions energy: -1527.308 where: short stacking energy: -656.683 Base-Backbone interact. energy: -1.420 local terms energy: -697.135760 where: bonds (distance) C4'-P energy: -133.078 bonds (distance) P-C4' energy: -122.203 flat angles C4'-P-C4' energy: -153.162 flat angles P-C4'-P energy: -116.336 tors. eta vs tors. theta energy: -172.357 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: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1879.515497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.515497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.515497 (E_RNA) where: Base-Base interactions energy: -1204.753 where: short stacking energy: -541.575 Base-Backbone interact. energy: -0.826 local terms energy: -673.935932 where: bonds (distance) C4'-P energy: -151.209 bonds (distance) P-C4' energy: -150.284 flat angles C4'-P-C4' energy: -151.482 flat angles P-C4'-P energy: -92.406 tors. eta vs tors. theta energy: -128.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1517.369089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.369089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.369089 (E_RNA) where: Base-Base interactions energy: -941.905 where: short stacking energy: -440.667 Base-Backbone interact. energy: 0.181 local terms energy: -575.645213 where: bonds (distance) C4'-P energy: -132.507 bonds (distance) P-C4' energy: -152.367 flat angles C4'-P-C4' energy: -125.264 flat angles P-C4'-P energy: -88.767 tors. eta vs tors. theta energy: -76.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1126.561409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.561409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.561409 (E_RNA) where: Base-Base interactions energy: -664.720 where: short stacking energy: -318.923 Base-Backbone interact. energy: 3.825 local terms energy: -465.666939 where: bonds (distance) C4'-P energy: -118.041 bonds (distance) P-C4' energy: -138.957 flat angles C4'-P-C4' energy: -113.456 flat angles P-C4'-P energy: -69.702 tors. eta vs tors. theta energy: -25.511 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: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -981.011638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.011638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.011638 (E_RNA) where: Base-Base interactions energy: -536.940 where: short stacking energy: -265.658 Base-Backbone interact. energy: 0.737 local terms energy: -444.808843 where: bonds (distance) C4'-P energy: -132.156 bonds (distance) P-C4' energy: -135.886 flat angles C4'-P-C4' energy: -112.894 flat angles P-C4'-P energy: -45.432 tors. eta vs tors. theta energy: -18.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2958.807046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.807046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.807046 (E_RNA) where: Base-Base interactions energy: -2041.642 where: short stacking energy: -839.656 Base-Backbone interact. energy: -4.219 local terms energy: -912.945454 where: bonds (distance) C4'-P energy: -157.199 bonds (distance) P-C4' energy: -162.597 flat angles C4'-P-C4' energy: -201.965 flat angles P-C4'-P energy: -147.567 tors. eta vs tors. theta energy: -243.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2814.627429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.627429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.627429 (E_RNA) where: Base-Base interactions energy: -1906.153 where: short stacking energy: -782.816 Base-Backbone interact. energy: -1.759 local terms energy: -906.714988 where: bonds (distance) C4'-P energy: -166.186 bonds (distance) P-C4' energy: -168.862 flat angles C4'-P-C4' energy: -196.839 flat angles P-C4'-P energy: -122.268 tors. eta vs tors. theta energy: -252.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2694.111694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.111694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.111694 (E_RNA) where: Base-Base interactions energy: -1869.633 where: short stacking energy: -763.314 Base-Backbone interact. energy: -4.178 local terms energy: -820.300734 where: bonds (distance) C4'-P energy: -149.979 bonds (distance) P-C4' energy: -147.966 flat angles C4'-P-C4' energy: -179.721 flat angles P-C4'-P energy: -116.629 tors. eta vs tors. theta energy: -226.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2588.976554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.976554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.976554 (E_RNA) where: Base-Base interactions energy: -1745.284 where: short stacking energy: -739.446 Base-Backbone interact. energy: -4.962 local terms energy: -838.730229 where: bonds (distance) C4'-P energy: -147.205 bonds (distance) P-C4' energy: -157.113 flat angles C4'-P-C4' energy: -190.851 flat angles P-C4'-P energy: -102.013 tors. eta vs tors. theta energy: -241.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2367.845906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.845906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.845906 (E_RNA) where: Base-Base interactions energy: -1614.216 where: short stacking energy: -708.136 Base-Backbone interact. energy: 0.539 local terms energy: -754.169043 where: bonds (distance) C4'-P energy: -156.894 bonds (distance) P-C4' energy: -128.550 flat angles C4'-P-C4' energy: -161.295 flat angles P-C4'-P energy: -109.537 tors. eta vs tors. theta energy: -197.892 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: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2224.849907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.849907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.849907 (E_RNA) where: Base-Base interactions energy: -1525.963 where: short stacking energy: -627.658 Base-Backbone interact. energy: 0.362 local terms energy: -699.249368 where: bonds (distance) C4'-P energy: -135.644 bonds (distance) P-C4' energy: -139.241 flat angles C4'-P-C4' energy: -163.558 flat angles P-C4'-P energy: -93.108 tors. eta vs tors. theta energy: -167.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1975.543568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.543568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.543568 (E_RNA) where: Base-Base interactions energy: -1277.094 where: short stacking energy: -583.919 Base-Backbone interact. energy: 2.063 local terms energy: -700.512942 where: bonds (distance) C4'-P energy: -143.436 bonds (distance) P-C4' energy: -143.578 flat angles C4'-P-C4' energy: -160.155 flat angles P-C4'-P energy: -98.974 tors. eta vs tors. theta energy: -154.370 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: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1560.031875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.031875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.031875 (E_RNA) where: Base-Base interactions energy: -980.600 where: short stacking energy: -438.095 Base-Backbone interact. energy: 0.005 local terms energy: -579.437558 where: bonds (distance) C4'-P energy: -126.444 bonds (distance) P-C4' energy: -145.604 flat angles C4'-P-C4' energy: -157.837 flat angles P-C4'-P energy: -61.639 tors. eta vs tors. theta energy: -87.914 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: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1075.434818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.434818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.434818 (E_RNA) where: Base-Base interactions energy: -605.152 where: short stacking energy: -296.894 Base-Backbone interact. energy: 6.239 local terms energy: -476.521556 where: bonds (distance) C4'-P energy: -114.085 bonds (distance) P-C4' energy: -162.042 flat angles C4'-P-C4' energy: -109.901 flat angles P-C4'-P energy: -80.646 tors. eta vs tors. theta energy: -9.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1014.954933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.954933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.954933 (E_RNA) where: Base-Base interactions energy: -542.371 where: short stacking energy: -255.342 Base-Backbone interact. energy: -2.970 local terms energy: -469.614167 where: bonds (distance) C4'-P energy: -123.649 bonds (distance) P-C4' energy: -137.975 flat angles C4'-P-C4' energy: -119.387 flat angles P-C4'-P energy: -86.790 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2937.793364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.793364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.793364 (E_RNA) where: Base-Base interactions energy: -2049.689 where: short stacking energy: -848.573 Base-Backbone interact. energy: -5.415 local terms energy: -882.689337 where: bonds (distance) C4'-P energy: -173.560 bonds (distance) P-C4' energy: -161.148 flat angles C4'-P-C4' energy: -188.476 flat angles P-C4'-P energy: -120.045 tors. eta vs tors. theta energy: -239.460 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: 3 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2800.862306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.862306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.862306 (E_RNA) where: Base-Base interactions energy: -1900.411 where: short stacking energy: -833.980 Base-Backbone interact. energy: -3.967 local terms energy: -896.484654 where: bonds (distance) C4'-P energy: -150.248 bonds (distance) P-C4' energy: -161.180 flat angles C4'-P-C4' energy: -199.624 flat angles P-C4'-P energy: -123.223 tors. eta vs tors. theta energy: -262.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2725.422515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.422515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.422515 (E_RNA) where: Base-Base interactions energy: -1876.207 where: short stacking energy: -775.499 Base-Backbone interact. energy: -7.003 local terms energy: -842.212908 where: bonds (distance) C4'-P energy: -143.695 bonds (distance) P-C4' energy: -171.860 flat angles C4'-P-C4' energy: -180.333 flat angles P-C4'-P energy: -119.195 tors. eta vs tors. theta energy: -227.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2585.811326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.811326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.811326 (E_RNA) where: Base-Base interactions energy: -1790.989 where: short stacking energy: -777.354 Base-Backbone interact. energy: -1.944 local terms energy: -792.877728 where: bonds (distance) C4'-P energy: -111.162 bonds (distance) P-C4' energy: -143.443 flat angles C4'-P-C4' energy: -180.943 flat angles P-C4'-P energy: -119.917 tors. eta vs tors. theta energy: -237.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2400.645391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.645391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.645391 (E_RNA) where: Base-Base interactions energy: -1642.422 where: short stacking energy: -708.901 Base-Backbone interact. energy: -1.076 local terms energy: -757.147606 where: bonds (distance) C4'-P energy: -151.224 bonds (distance) P-C4' energy: -136.826 flat angles C4'-P-C4' energy: -153.018 flat angles P-C4'-P energy: -110.139 tors. eta vs tors. theta energy: -205.940 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: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2269.577937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.577937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.577937 (E_RNA) where: Base-Base interactions energy: -1546.794 where: short stacking energy: -632.681 Base-Backbone interact. energy: -0.695 local terms energy: -722.089307 where: bonds (distance) C4'-P energy: -124.817 bonds (distance) P-C4' energy: -163.157 flat angles C4'-P-C4' energy: -156.191 flat angles P-C4'-P energy: -99.183 tors. eta vs tors. theta energy: -178.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1969.418890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.418890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.418890 (E_RNA) where: Base-Base interactions energy: -1256.385 where: short stacking energy: -561.926 Base-Backbone interact. energy: -0.971 local terms energy: -712.062994 where: bonds (distance) C4'-P energy: -139.081 bonds (distance) P-C4' energy: -142.601 flat angles C4'-P-C4' energy: -172.561 flat angles P-C4'-P energy: -110.400 tors. eta vs tors. theta energy: -147.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1603.714808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.714808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.714808 (E_RNA) where: Base-Base interactions energy: -1001.788 where: short stacking energy: -444.763 Base-Backbone interact. energy: -1.423 local terms energy: -600.503871 where: bonds (distance) C4'-P energy: -118.992 bonds (distance) P-C4' energy: -137.546 flat angles C4'-P-C4' energy: -147.420 flat angles P-C4'-P energy: -101.504 tors. eta vs tors. theta energy: -95.042 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: 480 Temperature: 1.300000 Total energy: -1101.535454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.535454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.535454 (E_RNA) where: Base-Base interactions energy: -600.889 where: short stacking energy: -280.999 Base-Backbone interact. energy: 6.961 local terms energy: -507.608276 where: bonds (distance) C4'-P energy: -140.317 bonds (distance) P-C4' energy: -142.520 flat angles C4'-P-C4' energy: -107.674 flat angles P-C4'-P energy: -82.987 tors. eta vs tors. theta energy: -34.110 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: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1060.376660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.376660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.376660 (E_RNA) where: Base-Base interactions energy: -559.340 where: short stacking energy: -313.954 Base-Backbone interact. energy: 0.231 local terms energy: -501.267691 where: bonds (distance) C4'-P energy: -125.391 bonds (distance) P-C4' energy: -151.129 flat angles C4'-P-C4' energy: -128.683 flat angles P-C4'-P energy: -73.012 tors. eta vs tors. theta energy: -23.053 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: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2938.794036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.794036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.794036 (E_RNA) where: Base-Base interactions energy: -2044.030 where: short stacking energy: -842.485 Base-Backbone interact. energy: -4.152 local terms energy: -890.612300 where: bonds (distance) C4'-P energy: -166.588 bonds (distance) P-C4' energy: -157.781 flat angles C4'-P-C4' energy: -193.338 flat angles P-C4'-P energy: -123.780 tors. eta vs tors. theta energy: -249.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2820.288001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.288001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.288001 (E_RNA) where: Base-Base interactions energy: -1935.586 where: short stacking energy: -849.646 Base-Backbone interact. energy: -2.324 local terms energy: -882.377736 where: bonds (distance) C4'-P energy: -155.667 bonds (distance) P-C4' energy: -166.824 flat angles C4'-P-C4' energy: -184.119 flat angles P-C4'-P energy: -122.121 tors. eta vs tors. theta energy: -253.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2763.346068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.346068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.346068 (E_RNA) where: Base-Base interactions energy: -1887.824 where: short stacking energy: -789.834 Base-Backbone interact. energy: -4.250 local terms energy: -871.272667 where: bonds (distance) C4'-P energy: -153.420 bonds (distance) P-C4' energy: -173.195 flat angles C4'-P-C4' energy: -185.437 flat angles P-C4'-P energy: -126.190 tors. eta vs tors. theta energy: -233.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2595.669780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.669780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.669780 (E_RNA) where: Base-Base interactions energy: -1757.642 where: short stacking energy: -724.009 Base-Backbone interact. energy: 0.278 local terms energy: -838.305200 where: bonds (distance) C4'-P energy: -158.385 bonds (distance) P-C4' energy: -160.194 flat angles C4'-P-C4' energy: -177.588 flat angles P-C4'-P energy: -111.248 tors. eta vs tors. theta energy: -230.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2358.674966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.674966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.674966 (E_RNA) where: Base-Base interactions energy: -1579.634 where: short stacking energy: -669.239 Base-Backbone interact. energy: -1.014 local terms energy: -778.027185 where: bonds (distance) C4'-P energy: -150.484 bonds (distance) P-C4' energy: -152.620 flat angles C4'-P-C4' energy: -168.053 flat angles P-C4'-P energy: -102.500 tors. eta vs tors. theta energy: -204.370 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: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2294.307243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.307243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.307243 (E_RNA) where: Base-Base interactions energy: -1549.333 where: short stacking energy: -660.525 Base-Backbone interact. energy: -3.047 local terms energy: -741.927698 where: bonds (distance) C4'-P energy: -164.114 bonds (distance) P-C4' energy: -142.358 flat angles C4'-P-C4' energy: -146.647 flat angles P-C4'-P energy: -107.124 tors. eta vs tors. theta energy: -181.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1920.229102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.229102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.229102 (E_RNA) where: Base-Base interactions energy: -1251.145 where: short stacking energy: -547.189 Base-Backbone interact. energy: 4.813 local terms energy: -673.897661 where: bonds (distance) C4'-P energy: -143.535 bonds (distance) P-C4' energy: -161.896 flat angles C4'-P-C4' energy: -138.016 flat angles P-C4'-P energy: -96.613 tors. eta vs tors. theta energy: -133.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1576.359059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.359059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.359059 (E_RNA) where: Base-Base interactions energy: -994.320 where: short stacking energy: -454.690 Base-Backbone interact. energy: -4.748 local terms energy: -577.290527 where: bonds (distance) C4'-P energy: -140.419 bonds (distance) P-C4' energy: -132.324 flat angles C4'-P-C4' energy: -134.842 flat angles P-C4'-P energy: -88.286 tors. eta vs tors. theta energy: -81.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1065.484570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.484570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.484570 (E_RNA) where: Base-Base interactions energy: -576.814 where: short stacking energy: -287.618 Base-Backbone interact. energy: 2.567 local terms energy: -491.237862 where: bonds (distance) C4'-P energy: -124.225 bonds (distance) P-C4' energy: -142.725 flat angles C4'-P-C4' energy: -138.970 flat angles P-C4'-P energy: -78.331 tors. eta vs tors. theta energy: -6.987 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: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1032.285142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.285142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.285142 (E_RNA) where: Base-Base interactions energy: -574.295 where: short stacking energy: -307.550 Base-Backbone interact. energy: 3.931 local terms energy: -461.921677 where: bonds (distance) C4'-P energy: -110.238 bonds (distance) P-C4' energy: -133.706 flat angles C4'-P-C4' energy: -119.917 flat angles P-C4'-P energy: -74.813 tors. eta vs tors. theta energy: -23.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2952.436170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.436170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.436170 (E_RNA) where: Base-Base interactions energy: -2051.634 where: short stacking energy: -835.982 Base-Backbone interact. energy: -3.010 local terms energy: -897.792060 where: bonds (distance) C4'-P energy: -167.289 bonds (distance) P-C4' energy: -163.513 flat angles C4'-P-C4' energy: -191.383 flat angles P-C4'-P energy: -132.428 tors. eta vs tors. theta energy: -243.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2795.363661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.363661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.363661 (E_RNA) where: Base-Base interactions energy: -1910.663 where: short stacking energy: -820.670 Base-Backbone interact. energy: -4.000 local terms energy: -880.700619 where: bonds (distance) C4'-P energy: -170.764 bonds (distance) P-C4' energy: -167.711 flat angles C4'-P-C4' energy: -189.061 flat angles P-C4'-P energy: -112.317 tors. eta vs tors. theta energy: -240.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2723.362181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.362181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.362181 (E_RNA) where: Base-Base interactions energy: -1888.255 where: short stacking energy: -752.427 Base-Backbone interact. energy: -5.177 local terms energy: -829.930311 where: bonds (distance) C4'-P energy: -143.875 bonds (distance) P-C4' energy: -167.610 flat angles C4'-P-C4' energy: -179.359 flat angles P-C4'-P energy: -118.569 tors. eta vs tors. theta energy: -220.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2572.869911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.869911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.869911 (E_RNA) where: Base-Base interactions energy: -1757.840 where: short stacking energy: -743.067 Base-Backbone interact. energy: -1.743 local terms energy: -813.287213 where: bonds (distance) C4'-P energy: -152.940 bonds (distance) P-C4' energy: -162.509 flat angles C4'-P-C4' energy: -163.017 flat angles P-C4'-P energy: -108.170 tors. eta vs tors. theta energy: -226.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2363.224141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.224141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.224141 (E_RNA) where: Base-Base interactions energy: -1595.574 where: short stacking energy: -692.233 Base-Backbone interact. energy: 1.728 local terms energy: -769.378715 where: bonds (distance) C4'-P energy: -148.472 bonds (distance) P-C4' energy: -157.396 flat angles C4'-P-C4' energy: -157.637 flat angles P-C4'-P energy: -113.345 tors. eta vs tors. theta energy: -192.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2227.157129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.157129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.157129 (E_RNA) where: Base-Base interactions energy: -1492.412 where: short stacking energy: -630.699 Base-Backbone interact. energy: -2.952 local terms energy: -731.793394 where: bonds (distance) C4'-P energy: -129.103 bonds (distance) P-C4' energy: -155.766 flat angles C4'-P-C4' energy: -159.709 flat angles P-C4'-P energy: -102.733 tors. eta vs tors. theta energy: -184.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1925.060789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.060789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.060789 (E_RNA) where: Base-Base interactions energy: -1241.190 where: short stacking energy: -540.257 Base-Backbone interact. energy: 0.410 local terms energy: -684.281112 where: bonds (distance) C4'-P energy: -153.719 bonds (distance) P-C4' energy: -120.657 flat angles C4'-P-C4' energy: -156.055 flat angles P-C4'-P energy: -111.728 tors. eta vs tors. theta energy: -142.121 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: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1565.613340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.613340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.613340 (E_RNA) where: Base-Base interactions energy: -965.661 where: short stacking energy: -452.109 Base-Backbone interact. energy: -1.650 local terms energy: -598.301786 where: bonds (distance) C4'-P energy: -118.098 bonds (distance) P-C4' energy: -140.978 flat angles C4'-P-C4' energy: -157.260 flat angles P-C4'-P energy: -81.473 tors. eta vs tors. theta energy: -100.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1199.603802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.603802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.603802 (E_RNA) where: Base-Base interactions energy: -682.216 where: short stacking energy: -329.297 Base-Backbone interact. energy: 1.094 local terms energy: -518.481497 where: bonds (distance) C4'-P energy: -125.569 bonds (distance) P-C4' energy: -138.513 flat angles C4'-P-C4' energy: -141.827 flat angles P-C4'-P energy: -75.537 tors. eta vs tors. theta energy: -37.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1009.872114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.872114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.872114 (E_RNA) where: Base-Base interactions energy: -578.667 where: short stacking energy: -274.323 Base-Backbone interact. energy: 2.060 local terms energy: -433.264992 where: bonds (distance) C4'-P energy: -114.153 bonds (distance) P-C4' energy: -135.854 flat angles C4'-P-C4' energy: -121.066 flat angles P-C4'-P energy: -67.471 tors. eta vs tors. theta energy: 5.280 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) out arg RESULTS//1/168_Riboswitch-a0a2398b_01 DONE DONE DONE DONE DONE DONE