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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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/utr8-de9a9120/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr8-de9a9120/inputs/seq.fa: 1 curr_seq: _GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GACUGCAAGUGCACAGGUUUUGGACCUCGCGCUAGACUCACUUUACAGACUAGAAUUGUGAAUAGAAAAAAAACUUACAAACGAUUGUUGAGAACUUUAA 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 100 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: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 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: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 1 Temperature: 1.000000 Total energy: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -407.228038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.228038 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 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: 2 Temperature: 0.900000 Total energy: -482.988098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.988098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.988098 (E_RNA) where: Base-Base interactions energy: -200.228 where: short stacking energy: -192.473 Base-Backbone interact. energy: -0.362 local terms energy: -282.397878 where: bonds (distance) C4'-P energy: -64.276 bonds (distance) P-C4' energy: -72.572 flat angles C4'-P-C4' energy: -61.655 flat angles P-C4'-P energy: -36.689 tors. eta vs tors. theta energy: -47.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -467.381453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.381453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.381453 (E_RNA) where: Base-Base interactions energy: -206.887 where: short stacking energy: -187.623 Base-Backbone interact. energy: 1.519 local terms energy: -262.012715 where: bonds (distance) C4'-P energy: -57.530 bonds (distance) P-C4' energy: -61.128 flat angles C4'-P-C4' energy: -66.121 flat angles P-C4'-P energy: -36.652 tors. eta vs tors. theta energy: -40.582 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -499.143494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.143494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.143494 (E_RNA) where: Base-Base interactions energy: -245.364 where: short stacking energy: -177.067 Base-Backbone interact. energy: 1.465 local terms energy: -255.243995 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -66.859 flat angles C4'-P-C4' energy: -52.105 flat angles P-C4'-P energy: -39.706 tors. eta vs tors. theta energy: -31.589 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -406.853329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.853329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.853329 (E_RNA) where: Base-Base interactions energy: -17.747 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.000 local terms energy: -389.106246 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -90.353 flat angles C4'-P-C4' energy: -73.126 flat angles P-C4'-P energy: -83.913 tors. eta vs tors. theta energy: -44.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -406.853329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.853329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.853329 (E_RNA) where: Base-Base interactions energy: -17.747 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.000 local terms energy: -389.106246 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -90.353 flat angles C4'-P-C4' energy: -73.126 flat angles P-C4'-P energy: -83.913 tors. eta vs tors. theta energy: -44.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -406.565176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.565176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.565176 (E_RNA) where: Base-Base interactions energy: -17.747 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.000 local terms energy: -388.818093 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -90.353 flat angles C4'-P-C4' energy: -72.838 flat angles P-C4'-P energy: -83.913 tors. eta vs tors. theta energy: -44.673 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -406.565176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.565176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.565176 (E_RNA) where: Base-Base interactions energy: -17.747 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.000 local terms energy: -388.818093 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -90.353 flat angles C4'-P-C4' energy: -72.838 flat angles P-C4'-P energy: -83.913 tors. eta vs tors. theta energy: -44.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -406.602418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.602418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.602418 (E_RNA) where: Base-Base interactions energy: -17.747 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.000 local terms energy: -388.855335 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -90.353 flat angles C4'-P-C4' energy: -72.838 flat angles P-C4'-P energy: -83.950 tors. eta vs tors. theta energy: -44.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -406.825363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.825363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.825363 (E_RNA) where: Base-Base interactions energy: -22.448 where: short stacking energy: -22.448 Base-Backbone interact. energy: -0.000 local terms energy: -384.377232 where: bonds (distance) C4'-P energy: -95.742 bonds (distance) P-C4' energy: -87.017 flat angles C4'-P-C4' energy: -73.622 flat angles P-C4'-P energy: -83.245 tors. eta vs tors. theta energy: -44.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -406.754614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.754614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.754614 (E_RNA) where: Base-Base interactions energy: -22.447 where: short stacking energy: -22.447 Base-Backbone interact. energy: -0.000 local terms energy: -384.307184 where: bonds (distance) C4'-P energy: -95.742 bonds (distance) P-C4' energy: -87.017 flat angles C4'-P-C4' energy: -73.552 flat angles P-C4'-P energy: -83.245 tors. eta vs tors. theta energy: -44.752 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: 3 Temperature: 0.900000 Total energy: -550.007817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.007817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.007817 (E_RNA) where: Base-Base interactions energy: -265.769 where: short stacking energy: -201.589 Base-Backbone interact. energy: -0.241 local terms energy: -283.998205 where: bonds (distance) C4'-P energy: -63.006 bonds (distance) P-C4' energy: -69.586 flat angles C4'-P-C4' energy: -58.293 flat angles P-C4'-P energy: -44.150 tors. eta vs tors. theta energy: -48.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -570.681347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.681347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.681347 (E_RNA) where: Base-Base interactions energy: -284.118 where: short stacking energy: -173.734 Base-Backbone interact. energy: -1.348 local terms energy: -285.215255 where: bonds (distance) C4'-P energy: -65.582 bonds (distance) P-C4' energy: -66.358 flat angles C4'-P-C4' energy: -70.634 flat angles P-C4'-P energy: -36.572 tors. eta vs tors. theta energy: -46.069 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: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -500.230474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.230474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.230474 (E_RNA) where: Base-Base interactions energy: -272.855 where: short stacking energy: -162.549 Base-Backbone interact. energy: -0.065 local terms energy: -227.310992 where: bonds (distance) C4'-P energy: -47.455 bonds (distance) P-C4' energy: -58.853 flat angles C4'-P-C4' energy: -52.858 flat angles P-C4'-P energy: -40.623 tors. eta vs tors. theta energy: -27.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -433.647041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.647041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.647041 (E_RNA) where: Base-Base interactions energy: -191.925 where: short stacking energy: -139.202 Base-Backbone interact. energy: -1.528 local terms energy: -240.193770 where: bonds (distance) C4'-P energy: -58.810 bonds (distance) P-C4' energy: -64.234 flat angles C4'-P-C4' energy: -58.008 flat angles P-C4'-P energy: -34.848 tors. eta vs tors. theta energy: -24.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -434.197149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.197149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.197149 (E_RNA) where: Base-Base interactions energy: -209.218 where: short stacking energy: -161.405 Base-Backbone interact. energy: -1.207 local terms energy: -223.772378 where: bonds (distance) C4'-P energy: -48.517 bonds (distance) P-C4' energy: -54.877 flat angles C4'-P-C4' energy: -56.280 flat angles P-C4'-P energy: -28.603 tors. eta vs tors. theta energy: -35.496 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -360.694054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.694054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.694054 (E_RNA) where: Base-Base interactions energy: -156.201 where: short stacking energy: -135.100 Base-Backbone interact. energy: -1.126 local terms energy: -203.366553 where: bonds (distance) C4'-P energy: -52.366 bonds (distance) P-C4' energy: -54.266 flat angles C4'-P-C4' energy: -54.623 flat angles P-C4'-P energy: -26.233 tors. eta vs tors. theta energy: -15.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -313.518124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.518124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.518124 (E_RNA) where: Base-Base interactions energy: -111.401 where: short stacking energy: -102.349 Base-Backbone interact. energy: -1.074 local terms energy: -201.043346 where: bonds (distance) C4'-P energy: -61.254 bonds (distance) P-C4' energy: -60.585 flat angles C4'-P-C4' energy: -38.186 flat angles P-C4'-P energy: -35.345 tors. eta vs tors. theta energy: -5.674 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -308.261868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.261868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.261868 (E_RNA) where: Base-Base interactions energy: -151.273 where: short stacking energy: -82.075 Base-Backbone interact. energy: 0.328 local terms energy: -157.316347 where: bonds (distance) C4'-P energy: -56.195 bonds (distance) P-C4' energy: -49.473 flat angles C4'-P-C4' energy: -28.443 flat angles P-C4'-P energy: -29.960 tors. eta vs tors. theta energy: 6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -271.091777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.091777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.091777 (E_RNA) where: Base-Base interactions energy: -83.342 where: short stacking energy: -77.189 Base-Backbone interact. energy: 0.296 local terms energy: -188.045567 where: bonds (distance) C4'-P energy: -53.181 bonds (distance) P-C4' energy: -59.214 flat angles C4'-P-C4' energy: -57.050 flat angles P-C4'-P energy: -29.635 tors. eta vs tors. theta energy: 11.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -326.503045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.503045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.503045 (E_RNA) where: Base-Base interactions energy: -143.675 where: short stacking energy: -74.623 Base-Backbone interact. energy: 0.226 local terms energy: -183.054762 where: bonds (distance) C4'-P energy: -56.065 bonds (distance) P-C4' energy: -61.983 flat angles C4'-P-C4' energy: -44.869 flat angles P-C4'-P energy: -31.781 tors. eta vs tors. theta energy: 11.643 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: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -658.639966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.639966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.639966 (E_RNA) where: Base-Base interactions energy: -366.050 where: short stacking energy: -224.664 Base-Backbone interact. energy: -0.911 local terms energy: -291.679147 where: bonds (distance) C4'-P energy: -62.791 bonds (distance) P-C4' energy: -71.477 flat angles C4'-P-C4' energy: -65.754 flat angles P-C4'-P energy: -35.366 tors. eta vs tors. theta energy: -56.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -518.796372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.796372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.796372 (E_RNA) where: Base-Base interactions energy: -218.262 where: short stacking energy: -195.280 Base-Backbone interact. energy: 1.325 local terms energy: -301.859571 where: bonds (distance) C4'-P energy: -63.965 bonds (distance) P-C4' energy: -71.504 flat angles C4'-P-C4' energy: -65.760 flat angles P-C4'-P energy: -48.043 tors. eta vs tors. theta energy: -52.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -525.831143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.831143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.831143 (E_RNA) where: Base-Base interactions energy: -277.921 where: short stacking energy: -170.092 Base-Backbone interact. energy: -0.143 local terms energy: -247.767148 where: bonds (distance) C4'-P energy: -55.656 bonds (distance) P-C4' energy: -64.496 flat angles C4'-P-C4' energy: -56.407 flat angles P-C4'-P energy: -39.316 tors. eta vs tors. theta energy: -31.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -531.506886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.506886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.506886 (E_RNA) where: Base-Base interactions energy: -307.270 where: short stacking energy: -169.244 Base-Backbone interact. energy: 3.349 local terms energy: -227.585527 where: bonds (distance) C4'-P energy: -56.045 bonds (distance) P-C4' energy: -52.263 flat angles C4'-P-C4' energy: -55.810 flat angles P-C4'-P energy: -40.872 tors. eta vs tors. theta energy: -22.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -375.984638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.984638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.984638 (E_RNA) where: Base-Base interactions energy: -148.236 where: short stacking energy: -125.210 Base-Backbone interact. energy: -0.465 local terms energy: -227.283184 where: bonds (distance) C4'-P energy: -65.568 bonds (distance) P-C4' energy: -50.713 flat angles C4'-P-C4' energy: -58.302 flat angles P-C4'-P energy: -26.086 tors. eta vs tors. theta energy: -26.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -480.052068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.052068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.052068 (E_RNA) where: Base-Base interactions energy: -254.638 where: short stacking energy: -165.118 Base-Backbone interact. energy: 0.877 local terms energy: -226.291155 where: bonds (distance) C4'-P energy: -49.194 bonds (distance) P-C4' energy: -63.563 flat angles C4'-P-C4' energy: -51.145 flat angles P-C4'-P energy: -35.688 tors. eta vs tors. theta energy: -26.702 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: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -327.741966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.741966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.741966 (E_RNA) where: Base-Base interactions energy: -105.565 where: short stacking energy: -96.994 Base-Backbone interact. energy: -0.079 local terms energy: -222.097108 where: bonds (distance) C4'-P energy: -67.583 bonds (distance) P-C4' energy: -47.922 flat angles C4'-P-C4' energy: -61.931 flat angles P-C4'-P energy: -33.606 tors. eta vs tors. theta energy: -11.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -311.230844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.230844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.230844 (E_RNA) where: Base-Base interactions energy: -140.031 where: short stacking energy: -104.041 Base-Backbone interact. energy: -1.885 local terms energy: -169.315171 where: bonds (distance) C4'-P energy: -48.825 bonds (distance) P-C4' energy: -57.846 flat angles C4'-P-C4' energy: -38.695 flat angles P-C4'-P energy: -25.781 tors. eta vs tors. theta energy: 1.832 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: 4 Temperature: 1.300000 Total energy: -345.372348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.372348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.372348 (E_RNA) where: Base-Base interactions energy: -167.814 where: short stacking energy: -90.415 Base-Backbone interact. energy: 1.170 local terms energy: -178.728949 where: bonds (distance) C4'-P energy: -47.312 bonds (distance) P-C4' energy: -45.753 flat angles C4'-P-C4' energy: -45.081 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -4.078 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: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -257.265657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.265657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.265657 (E_RNA) where: Base-Base interactions energy: -71.046 where: short stacking energy: -55.104 Base-Backbone interact. energy: -0.908 local terms energy: -185.311822 where: bonds (distance) C4'-P energy: -53.722 bonds (distance) P-C4' energy: -63.275 flat angles C4'-P-C4' energy: -39.528 flat angles P-C4'-P energy: -33.535 tors. eta vs tors. theta energy: 4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -727.264376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.264376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.264376 (E_RNA) where: Base-Base interactions energy: -428.284 where: short stacking energy: -244.414 Base-Backbone interact. energy: -1.013 local terms energy: -297.968018 where: bonds (distance) C4'-P energy: -63.476 bonds (distance) P-C4' energy: -65.514 flat angles C4'-P-C4' energy: -51.746 flat angles P-C4'-P energy: -47.160 tors. eta vs tors. theta energy: -70.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -665.739151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.739151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.739151 (E_RNA) where: Base-Base interactions energy: -387.898 where: short stacking energy: -199.498 Base-Backbone interact. energy: -1.322 local terms energy: -276.518765 where: bonds (distance) C4'-P energy: -62.762 bonds (distance) P-C4' energy: -59.882 flat angles C4'-P-C4' energy: -66.300 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: -45.305 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: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -470.672309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.672309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.672309 (E_RNA) where: Base-Base interactions energy: -214.377 where: short stacking energy: -193.078 Base-Backbone interact. energy: 0.147 local terms energy: -256.441903 where: bonds (distance) C4'-P energy: -54.009 bonds (distance) P-C4' energy: -60.951 flat angles C4'-P-C4' energy: -58.542 flat angles P-C4'-P energy: -37.196 tors. eta vs tors. theta energy: -45.744 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: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -525.451632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.451632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.451632 (E_RNA) where: Base-Base interactions energy: -276.374 where: short stacking energy: -148.454 Base-Backbone interact. energy: -1.259 local terms energy: -247.818332 where: bonds (distance) C4'-P energy: -66.520 bonds (distance) P-C4' energy: -54.978 flat angles C4'-P-C4' energy: -64.441 flat angles P-C4'-P energy: -35.957 tors. eta vs tors. theta energy: -25.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -421.767263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.767263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.767263 (E_RNA) where: Base-Base interactions energy: -201.446 where: short stacking energy: -165.802 Base-Backbone interact. energy: 2.916 local terms energy: -223.237617 where: bonds (distance) C4'-P energy: -55.421 bonds (distance) P-C4' energy: -59.519 flat angles C4'-P-C4' energy: -49.888 flat angles P-C4'-P energy: -40.750 tors. eta vs tors. theta energy: -17.659 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: 6, replica: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -509.735915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.735915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.735915 (E_RNA) where: Base-Base interactions energy: -269.094 where: short stacking energy: -140.572 Base-Backbone interact. energy: 2.259 local terms energy: -242.900067 where: bonds (distance) C4'-P energy: -44.705 bonds (distance) P-C4' energy: -61.694 flat angles C4'-P-C4' energy: -60.240 flat angles P-C4'-P energy: -38.039 tors. eta vs tors. theta energy: -38.223 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: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -341.641366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.641366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.641366 (E_RNA) where: Base-Base interactions energy: -148.358 where: short stacking energy: -96.726 Base-Backbone interact. energy: -1.122 local terms energy: -192.161109 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -53.092 flat angles C4'-P-C4' energy: -44.033 flat angles P-C4'-P energy: -35.156 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: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -371.800874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.800874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.800874 (E_RNA) where: Base-Base interactions energy: -153.715 where: short stacking energy: -93.293 Base-Backbone interact. energy: -0.595 local terms energy: -217.491208 where: bonds (distance) C4'-P energy: -65.680 bonds (distance) P-C4' energy: -64.284 flat angles C4'-P-C4' energy: -50.849 flat angles P-C4'-P energy: -35.759 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -303.372943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.372943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.372943 (E_RNA) where: Base-Base interactions energy: -113.577 where: short stacking energy: -69.113 Base-Backbone interact. energy: -1.727 local terms energy: -188.068474 where: bonds (distance) C4'-P energy: -52.253 bonds (distance) P-C4' energy: -63.877 flat angles C4'-P-C4' energy: -57.887 flat angles P-C4'-P energy: -19.708 tors. eta vs tors. theta energy: 5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -238.922293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.922293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.922293 (E_RNA) where: Base-Base interactions energy: -74.739 where: short stacking energy: -50.171 Base-Backbone interact. energy: -2.252 local terms energy: -161.931162 where: bonds (distance) C4'-P energy: -45.618 bonds (distance) P-C4' energy: -54.907 flat angles C4'-P-C4' energy: -53.408 flat angles P-C4'-P energy: -28.675 tors. eta vs tors. theta energy: 20.676 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: 6 Temperature: 0.900000 Total energy: -727.185733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.185733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.185733 (E_RNA) where: Base-Base interactions energy: -428.280 where: short stacking energy: -225.469 Base-Backbone interact. energy: -0.636 local terms energy: -298.269281 where: bonds (distance) C4'-P energy: -56.060 bonds (distance) P-C4' energy: -70.615 flat angles C4'-P-C4' energy: -70.193 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -57.997 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -681.322793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.322793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.322793 (E_RNA) where: Base-Base interactions energy: -396.740 where: short stacking energy: -202.172 Base-Backbone interact. energy: -3.759 local terms energy: -280.824652 where: bonds (distance) C4'-P energy: -55.025 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -62.462 flat angles P-C4'-P energy: -46.916 tors. eta vs tors. theta energy: -52.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -597.351083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.351083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.351083 (E_RNA) where: Base-Base interactions energy: -332.850 where: short stacking energy: -180.525 Base-Backbone interact. energy: 1.933 local terms energy: -266.434931 where: bonds (distance) C4'-P energy: -50.907 bonds (distance) P-C4' energy: -71.486 flat angles C4'-P-C4' energy: -62.151 flat angles P-C4'-P energy: -36.255 tors. eta vs tors. theta energy: -45.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -582.532391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.532391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.532391 (E_RNA) where: Base-Base interactions energy: -322.130 where: short stacking energy: -155.864 Base-Backbone interact. energy: -1.630 local terms energy: -258.772513 where: bonds (distance) C4'-P energy: -63.759 bonds (distance) P-C4' energy: -57.668 flat angles C4'-P-C4' energy: -63.094 flat angles P-C4'-P energy: -35.936 tors. eta vs tors. theta energy: -38.316 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: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -531.377473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.377473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.377473 (E_RNA) where: Base-Base interactions energy: -272.129 where: short stacking energy: -155.364 Base-Backbone interact. energy: -0.548 local terms energy: -258.700024 where: bonds (distance) C4'-P energy: -57.874 bonds (distance) P-C4' energy: -67.171 flat angles C4'-P-C4' energy: -50.847 flat angles P-C4'-P energy: -48.664 tors. eta vs tors. theta energy: -34.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -392.891672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.891672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.891672 (E_RNA) where: Base-Base interactions energy: -188.190 where: short stacking energy: -130.161 Base-Backbone interact. energy: -0.190 local terms energy: -204.511695 where: bonds (distance) C4'-P energy: -52.479 bonds (distance) P-C4' energy: -64.418 flat angles C4'-P-C4' energy: -50.336 flat angles P-C4'-P energy: -18.711 tors. eta vs tors. theta energy: -18.567 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: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -449.080632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.080632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.080632 (E_RNA) where: Base-Base interactions energy: -220.415 where: short stacking energy: -106.768 Base-Backbone interact. energy: 1.976 local terms energy: -230.642262 where: bonds (distance) C4'-P energy: -62.525 bonds (distance) P-C4' energy: -59.308 flat angles C4'-P-C4' energy: -50.790 flat angles P-C4'-P energy: -39.957 tors. eta vs tors. theta energy: -18.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -351.831269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.831269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.831269 (E_RNA) where: Base-Base interactions energy: -150.803 where: short stacking energy: -101.172 Base-Backbone interact. energy: -0.280 local terms energy: -200.747473 where: bonds (distance) C4'-P energy: -48.290 bonds (distance) P-C4' energy: -61.126 flat angles C4'-P-C4' energy: -51.633 flat angles P-C4'-P energy: -33.524 tors. eta vs tors. theta energy: -6.174 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: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -281.120619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.120619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.120619 (E_RNA) where: Base-Base interactions energy: -85.279 where: short stacking energy: -71.018 Base-Backbone interact. energy: -0.280 local terms energy: -195.561017 where: bonds (distance) C4'-P energy: -61.903 bonds (distance) P-C4' energy: -60.726 flat angles C4'-P-C4' energy: -54.173 flat angles P-C4'-P energy: -17.887 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: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -255.720597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.720597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.720597 (E_RNA) where: Base-Base interactions energy: -91.276 where: short stacking energy: -67.196 Base-Backbone interact. energy: 0.414 local terms energy: -164.858627 where: bonds (distance) C4'-P energy: -55.305 bonds (distance) P-C4' energy: -57.602 flat angles C4'-P-C4' energy: -38.487 flat angles P-C4'-P energy: -20.467 tors. eta vs tors. theta energy: 7.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -710.533469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.533469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.533469 (E_RNA) where: Base-Base interactions energy: -418.506 where: short stacking energy: -234.752 Base-Backbone interact. energy: -0.702 local terms energy: -291.325970 where: bonds (distance) C4'-P energy: -69.919 bonds (distance) P-C4' energy: -56.856 flat angles C4'-P-C4' energy: -65.381 flat angles P-C4'-P energy: -44.972 tors. eta vs tors. theta energy: -54.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -727.439552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.439552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.439552 (E_RNA) where: Base-Base interactions energy: -432.274 where: short stacking energy: -231.651 Base-Backbone interact. energy: -1.479 local terms energy: -293.686128 where: bonds (distance) C4'-P energy: -70.500 bonds (distance) P-C4' energy: -60.515 flat angles C4'-P-C4' energy: -63.021 flat angles P-C4'-P energy: -35.430 tors. eta vs tors. theta energy: -64.220 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: 4 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -603.087778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.087778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.087778 (E_RNA) where: Base-Base interactions energy: -316.009 where: short stacking energy: -197.870 Base-Backbone interact. energy: -0.074 local terms energy: -287.004916 where: bonds (distance) C4'-P energy: -63.865 bonds (distance) P-C4' energy: -63.819 flat angles C4'-P-C4' energy: -71.395 flat angles P-C4'-P energy: -44.668 tors. eta vs tors. theta energy: -43.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -617.292344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.292344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.292344 (E_RNA) where: Base-Base interactions energy: -378.736 where: short stacking energy: -175.133 Base-Backbone interact. energy: -0.004 local terms energy: -238.552152 where: bonds (distance) C4'-P energy: -51.339 bonds (distance) P-C4' energy: -64.871 flat angles C4'-P-C4' energy: -52.334 flat angles P-C4'-P energy: -33.799 tors. eta vs tors. theta energy: -36.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -543.968785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.968785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.968785 (E_RNA) where: Base-Base interactions energy: -306.166 where: short stacking energy: -172.452 Base-Backbone interact. energy: -1.991 local terms energy: -235.811890 where: bonds (distance) C4'-P energy: -55.281 bonds (distance) P-C4' energy: -59.463 flat angles C4'-P-C4' energy: -55.011 flat angles P-C4'-P energy: -29.742 tors. eta vs tors. theta energy: -36.314 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: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -444.715113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.715113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.715113 (E_RNA) where: Base-Base interactions energy: -227.793 where: short stacking energy: -116.092 Base-Backbone interact. energy: -0.805 local terms energy: -216.117119 where: bonds (distance) C4'-P energy: -57.046 bonds (distance) P-C4' energy: -62.649 flat angles C4'-P-C4' energy: -56.305 flat angles P-C4'-P energy: -28.568 tors. eta vs tors. theta energy: -11.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -370.942932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.942932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.942932 (E_RNA) where: Base-Base interactions energy: -156.507 where: short stacking energy: -104.619 Base-Backbone interact. energy: -1.475 local terms energy: -212.961114 where: bonds (distance) C4'-P energy: -44.857 bonds (distance) P-C4' energy: -62.641 flat angles C4'-P-C4' energy: -57.929 flat angles P-C4'-P energy: -31.093 tors. eta vs tors. theta energy: -16.441 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: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -305.513324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.513324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.513324 (E_RNA) where: Base-Base interactions energy: -122.032 where: short stacking energy: -95.500 Base-Backbone interact. energy: 0.101 local terms energy: -183.582090 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -48.182 flat angles C4'-P-C4' energy: -60.361 flat angles P-C4'-P energy: -22.616 tors. eta vs tors. theta energy: 4.651 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: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -291.453352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.453352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.453352 (E_RNA) where: Base-Base interactions energy: -125.231 where: short stacking energy: -88.688 Base-Backbone interact. energy: 3.750 local terms energy: -169.971815 where: bonds (distance) C4'-P energy: -40.152 bonds (distance) P-C4' energy: -51.558 flat angles C4'-P-C4' energy: -42.829 flat angles P-C4'-P energy: -31.621 tors. eta vs tors. theta energy: -3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -264.385024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.385024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.385024 (E_RNA) where: Base-Base interactions energy: -107.692 where: short stacking energy: -75.055 Base-Backbone interact. energy: 0.483 local terms energy: -157.175595 where: bonds (distance) C4'-P energy: -46.761 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -28.720 flat angles P-C4'-P energy: -24.909 tors. eta vs tors. theta energy: -0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -768.575387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.575387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.575387 (E_RNA) where: Base-Base interactions energy: -472.789 where: short stacking energy: -233.488 Base-Backbone interact. energy: -0.992 local terms energy: -294.794531 where: bonds (distance) C4'-P energy: -61.704 bonds (distance) P-C4' energy: -62.529 flat angles C4'-P-C4' energy: -72.022 flat angles P-C4'-P energy: -47.592 tors. eta vs tors. theta energy: -50.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -748.111723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.111723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.111723 (E_RNA) where: Base-Base interactions energy: -445.105 where: short stacking energy: -231.965 Base-Backbone interact. energy: 1.084 local terms energy: -304.090633 where: bonds (distance) C4'-P energy: -69.220 bonds (distance) P-C4' energy: -67.310 flat angles C4'-P-C4' energy: -67.390 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: -53.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -701.501008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.501008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.501008 (E_RNA) where: Base-Base interactions energy: -430.031 where: short stacking energy: -182.168 Base-Backbone interact. energy: 1.278 local terms energy: -272.747733 where: bonds (distance) C4'-P energy: -57.276 bonds (distance) P-C4' energy: -62.788 flat angles C4'-P-C4' energy: -62.773 flat angles P-C4'-P energy: -39.837 tors. eta vs tors. theta energy: -50.073 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: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -523.058432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.058432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.058432 (E_RNA) where: Base-Base interactions energy: -272.857 where: short stacking energy: -152.189 Base-Backbone interact. energy: -1.804 local terms energy: -248.397046 where: bonds (distance) C4'-P energy: -63.188 bonds (distance) P-C4' energy: -61.883 flat angles C4'-P-C4' energy: -59.903 flat angles P-C4'-P energy: -35.123 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: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -575.424425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.424425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.424425 (E_RNA) where: Base-Base interactions energy: -333.325 where: short stacking energy: -163.014 Base-Backbone interact. energy: -1.112 local terms energy: -240.987243 where: bonds (distance) C4'-P energy: -52.262 bonds (distance) P-C4' energy: -59.487 flat angles C4'-P-C4' energy: -58.342 flat angles P-C4'-P energy: -41.859 tors. eta vs tors. theta energy: -29.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -454.559099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.559099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.559099 (E_RNA) where: Base-Base interactions energy: -244.224 where: short stacking energy: -140.837 Base-Backbone interact. energy: -0.179 local terms energy: -210.155622 where: bonds (distance) C4'-P energy: -57.549 bonds (distance) P-C4' energy: -47.681 flat angles C4'-P-C4' energy: -51.512 flat angles P-C4'-P energy: -33.757 tors. eta vs tors. theta energy: -19.655 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: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -397.868378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.868378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.868378 (E_RNA) where: Base-Base interactions energy: -210.688 where: short stacking energy: -125.503 Base-Backbone interact. energy: -1.231 local terms energy: -185.949238 where: bonds (distance) C4'-P energy: -57.531 bonds (distance) P-C4' energy: -46.215 flat angles C4'-P-C4' energy: -35.599 flat angles P-C4'-P energy: -29.424 tors. eta vs tors. theta energy: -17.179 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: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -302.423111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.423111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.423111 (E_RNA) where: Base-Base interactions energy: -115.427 where: short stacking energy: -79.079 Base-Backbone interact. energy: -0.728 local terms energy: -186.268376 where: bonds (distance) C4'-P energy: -57.761 bonds (distance) P-C4' energy: -57.000 flat angles C4'-P-C4' energy: -51.574 flat angles P-C4'-P energy: -23.528 tors. eta vs tors. theta energy: 3.595 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: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -272.674499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.674499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.674499 (E_RNA) where: Base-Base interactions energy: -118.188 where: short stacking energy: -79.089 Base-Backbone interact. energy: -0.320 local terms energy: -154.166428 where: bonds (distance) C4'-P energy: -49.937 bonds (distance) P-C4' energy: -54.516 flat angles C4'-P-C4' energy: -32.263 flat angles P-C4'-P energy: -22.594 tors. eta vs tors. theta energy: 5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -262.803006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.803006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.803006 (E_RNA) where: Base-Base interactions energy: -95.068 where: short stacking energy: -69.222 Base-Backbone interact. energy: 1.193 local terms energy: -168.927815 where: bonds (distance) C4'-P energy: -50.129 bonds (distance) P-C4' energy: -52.622 flat angles C4'-P-C4' energy: -44.891 flat angles P-C4'-P energy: -39.249 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: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -835.403127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.403127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.403127 (E_RNA) where: Base-Base interactions energy: -525.011 where: short stacking energy: -236.822 Base-Backbone interact. energy: -5.220 local terms energy: -305.172200 where: bonds (distance) C4'-P energy: -64.373 bonds (distance) P-C4' energy: -70.776 flat angles C4'-P-C4' energy: -72.490 flat angles P-C4'-P energy: -33.839 tors. eta vs tors. theta energy: -63.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -756.174029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.174029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.174029 (E_RNA) where: Base-Base interactions energy: -469.775 where: short stacking energy: -197.494 Base-Backbone interact. energy: -2.695 local terms energy: -283.703755 where: bonds (distance) C4'-P energy: -57.639 bonds (distance) P-C4' energy: -61.890 flat angles C4'-P-C4' energy: -60.092 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -56.161 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: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -704.384842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.384842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.384842 (E_RNA) where: Base-Base interactions energy: -414.506 where: short stacking energy: -219.743 Base-Backbone interact. energy: -1.419 local terms energy: -288.460194 where: bonds (distance) C4'-P energy: -61.644 bonds (distance) P-C4' energy: -64.132 flat angles C4'-P-C4' energy: -65.555 flat angles P-C4'-P energy: -40.379 tors. eta vs tors. theta energy: -56.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -642.518994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.518994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.518994 (E_RNA) where: Base-Base interactions energy: -374.635 where: short stacking energy: -184.677 Base-Backbone interact. energy: -1.893 local terms energy: -265.990763 where: bonds (distance) C4'-P energy: -54.251 bonds (distance) P-C4' energy: -61.954 flat angles C4'-P-C4' energy: -58.571 flat angles P-C4'-P energy: -42.241 tors. eta vs tors. theta energy: -48.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -520.782177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.782177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.782177 (E_RNA) where: Base-Base interactions energy: -285.018 where: short stacking energy: -164.138 Base-Backbone interact. energy: -2.388 local terms energy: -233.376388 where: bonds (distance) C4'-P energy: -57.369 bonds (distance) P-C4' energy: -60.351 flat angles C4'-P-C4' energy: -56.211 flat angles P-C4'-P energy: -30.142 tors. eta vs tors. theta energy: -29.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -444.242315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.242315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.242315 (E_RNA) where: Base-Base interactions energy: -220.074 where: short stacking energy: -132.267 Base-Backbone interact. energy: -0.978 local terms energy: -223.190533 where: bonds (distance) C4'-P energy: -56.078 bonds (distance) P-C4' energy: -59.174 flat angles C4'-P-C4' energy: -54.233 flat angles P-C4'-P energy: -36.920 tors. eta vs tors. theta energy: -16.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -399.405192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.405192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.405192 (E_RNA) where: Base-Base interactions energy: -200.020 where: short stacking energy: -109.590 Base-Backbone interact. energy: 0.423 local terms energy: -199.808509 where: bonds (distance) C4'-P energy: -49.811 bonds (distance) P-C4' energy: -61.350 flat angles C4'-P-C4' energy: -43.031 flat angles P-C4'-P energy: -28.758 tors. eta vs tors. theta energy: -16.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -308.145361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.145361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.145361 (E_RNA) where: Base-Base interactions energy: -124.192 where: short stacking energy: -103.232 Base-Backbone interact. energy: -2.282 local terms energy: -181.671616 where: bonds (distance) C4'-P energy: -53.285 bonds (distance) P-C4' energy: -52.425 flat angles C4'-P-C4' energy: -39.765 flat angles P-C4'-P energy: -24.748 tors. eta vs tors. theta energy: -11.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -318.874672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.874672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.874672 (E_RNA) where: Base-Base interactions energy: -128.847 where: short stacking energy: -100.312 Base-Backbone interact. energy: -0.385 local terms energy: -189.642253 where: bonds (distance) C4'-P energy: -52.713 bonds (distance) P-C4' energy: -50.011 flat angles C4'-P-C4' energy: -41.834 flat angles P-C4'-P energy: -37.867 tors. eta vs tors. theta energy: -7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -253.909038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.909038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.909038 (E_RNA) where: Base-Base interactions energy: -93.744 where: short stacking energy: -72.588 Base-Backbone interact. energy: -1.831 local terms energy: -158.333925 where: bonds (distance) C4'-P energy: -44.912 bonds (distance) P-C4' energy: -56.563 flat angles C4'-P-C4' energy: -47.239 flat angles P-C4'-P energy: -25.539 tors. eta vs tors. theta energy: 15.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -815.607399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.607399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.607399 (E_RNA) where: Base-Base interactions energy: -503.742 where: short stacking energy: -239.405 Base-Backbone interact. energy: -3.172 local terms energy: -308.693663 where: bonds (distance) C4'-P energy: -64.563 bonds (distance) P-C4' energy: -66.986 flat angles C4'-P-C4' energy: -66.757 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -62.485 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: 10 Temperature: 0.950000 Total energy: -834.169264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.169264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.169264 (E_RNA) where: Base-Base interactions energy: -534.790 where: short stacking energy: -227.689 Base-Backbone interact. energy: -0.673 local terms energy: -298.705349 where: bonds (distance) C4'-P energy: -58.827 bonds (distance) P-C4' energy: -64.558 flat angles C4'-P-C4' energy: -63.127 flat angles P-C4'-P energy: -44.438 tors. eta vs tors. theta energy: -67.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -703.216005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.216005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.216005 (E_RNA) where: Base-Base interactions energy: -424.445 where: short stacking energy: -208.911 Base-Backbone interact. energy: -0.275 local terms energy: -278.496213 where: bonds (distance) C4'-P energy: -55.479 bonds (distance) P-C4' energy: -58.212 flat angles C4'-P-C4' energy: -69.928 flat angles P-C4'-P energy: -45.301 tors. eta vs tors. theta energy: -49.576 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: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -612.018719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.018719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.018719 (E_RNA) where: Base-Base interactions energy: -354.433 where: short stacking energy: -199.563 Base-Backbone interact. energy: -0.984 local terms energy: -256.601350 where: bonds (distance) C4'-P energy: -54.814 bonds (distance) P-C4' energy: -56.130 flat angles C4'-P-C4' energy: -66.039 flat angles P-C4'-P energy: -30.295 tors. eta vs tors. theta energy: -49.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -502.485309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.485309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.485309 (E_RNA) where: Base-Base interactions energy: -293.655 where: short stacking energy: -189.227 Base-Backbone interact. energy: 2.451 local terms energy: -211.281699 where: bonds (distance) C4'-P energy: -59.102 bonds (distance) P-C4' energy: -50.185 flat angles C4'-P-C4' energy: -59.848 flat angles P-C4'-P energy: -18.395 tors. eta vs tors. theta energy: -23.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -449.700319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.700319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.700319 (E_RNA) where: Base-Base interactions energy: -259.900 where: short stacking energy: -132.155 Base-Backbone interact. energy: -0.664 local terms energy: -189.136372 where: bonds (distance) C4'-P energy: -44.688 bonds (distance) P-C4' energy: -54.354 flat angles C4'-P-C4' energy: -46.339 flat angles P-C4'-P energy: -33.820 tors. eta vs tors. theta energy: -9.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -434.027917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.027917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.027917 (E_RNA) where: Base-Base interactions energy: -231.268 where: short stacking energy: -141.485 Base-Backbone interact. energy: -1.703 local terms energy: -201.056607 where: bonds (distance) C4'-P energy: -56.387 bonds (distance) P-C4' energy: -46.789 flat angles C4'-P-C4' energy: -58.322 flat angles P-C4'-P energy: -23.482 tors. eta vs tors. theta energy: -16.077 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: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -309.029060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.029060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.029060 (E_RNA) where: Base-Base interactions energy: -137.295 where: short stacking energy: -78.560 Base-Backbone interact. energy: -2.086 local terms energy: -169.648565 where: bonds (distance) C4'-P energy: -61.853 bonds (distance) P-C4' energy: -54.780 flat angles C4'-P-C4' energy: -37.113 flat angles P-C4'-P energy: -21.645 tors. eta vs tors. theta energy: 5.743 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: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -297.693528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.693528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.693528 (E_RNA) where: Base-Base interactions energy: -129.746 where: short stacking energy: -85.885 Base-Backbone interact. energy: -0.309 local terms energy: -167.639185 where: bonds (distance) C4'-P energy: -60.178 bonds (distance) P-C4' energy: -55.061 flat angles C4'-P-C4' energy: -38.458 flat angles P-C4'-P energy: -27.468 tors. eta vs tors. theta energy: 13.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -245.937709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.937709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.937709 (E_RNA) where: Base-Base interactions energy: -110.988 where: short stacking energy: -84.834 Base-Backbone interact. energy: 0.567 local terms energy: -135.517134 where: bonds (distance) C4'-P energy: -33.348 bonds (distance) P-C4' energy: -48.507 flat angles C4'-P-C4' energy: -46.231 flat angles P-C4'-P energy: -16.846 tors. eta vs tors. theta energy: 9.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -833.041143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.041143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.041143 (E_RNA) where: Base-Base interactions energy: -535.928 where: short stacking energy: -233.950 Base-Backbone interact. energy: 0.769 local terms energy: -297.883036 where: bonds (distance) C4'-P energy: -62.366 bonds (distance) P-C4' energy: -65.249 flat angles C4'-P-C4' energy: -64.580 flat angles P-C4'-P energy: -40.638 tors. eta vs tors. theta energy: -65.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -826.404315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.404315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.404315 (E_RNA) where: Base-Base interactions energy: -535.411 where: short stacking energy: -230.976 Base-Backbone interact. energy: -0.943 local terms energy: -290.050766 where: bonds (distance) C4'-P energy: -61.830 bonds (distance) P-C4' energy: -49.543 flat angles C4'-P-C4' energy: -73.189 flat angles P-C4'-P energy: -40.224 tors. eta vs tors. theta energy: -65.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -697.829313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.829313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.829313 (E_RNA) where: Base-Base interactions energy: -413.869 where: short stacking energy: -206.889 Base-Backbone interact. energy: -1.097 local terms energy: -282.863138 where: bonds (distance) C4'-P energy: -55.787 bonds (distance) P-C4' energy: -65.067 flat angles C4'-P-C4' energy: -69.279 flat angles P-C4'-P energy: -39.543 tors. eta vs tors. theta energy: -53.186 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: 4, replica: 7 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -558.730038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.730038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.730038 (E_RNA) where: Base-Base interactions energy: -302.692 where: short stacking energy: -165.042 Base-Backbone interact. energy: -0.724 local terms energy: -255.314484 where: bonds (distance) C4'-P energy: -49.233 bonds (distance) P-C4' energy: -64.554 flat angles C4'-P-C4' energy: -69.789 flat angles P-C4'-P energy: -38.866 tors. eta vs tors. theta energy: -32.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -539.526479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.526479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.526479 (E_RNA) where: Base-Base interactions energy: -311.297 where: short stacking energy: -185.614 Base-Backbone interact. energy: -0.503 local terms energy: -227.726590 where: bonds (distance) C4'-P energy: -53.898 bonds (distance) P-C4' energy: -51.112 flat angles C4'-P-C4' energy: -57.524 flat angles P-C4'-P energy: -37.655 tors. eta vs tors. theta energy: -27.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -497.601650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.601650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.601650 (E_RNA) where: Base-Base interactions energy: -265.625 where: short stacking energy: -152.625 Base-Backbone interact. energy: -1.416 local terms energy: -230.561302 where: bonds (distance) C4'-P energy: -63.267 bonds (distance) P-C4' energy: -56.730 flat angles C4'-P-C4' energy: -46.566 flat angles P-C4'-P energy: -29.761 tors. eta vs tors. theta energy: -34.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -403.513761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.513761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.513761 (E_RNA) where: Base-Base interactions energy: -186.932 where: short stacking energy: -121.876 Base-Backbone interact. energy: -0.627 local terms energy: -215.954779 where: bonds (distance) C4'-P energy: -51.281 bonds (distance) P-C4' energy: -52.897 flat angles C4'-P-C4' energy: -57.708 flat angles P-C4'-P energy: -34.453 tors. eta vs tors. theta energy: -19.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -340.308486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.308486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.308486 (E_RNA) where: Base-Base interactions energy: -153.783 where: short stacking energy: -109.333 Base-Backbone interact. energy: 4.132 local terms energy: -190.658285 where: bonds (distance) C4'-P energy: -50.212 bonds (distance) P-C4' energy: -59.996 flat angles C4'-P-C4' energy: -51.528 flat angles P-C4'-P energy: -20.295 tors. eta vs tors. theta energy: -8.627 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: 6 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -279.894374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.894374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.894374 (E_RNA) where: Base-Base interactions energy: -102.883 where: short stacking energy: -69.629 Base-Backbone interact. energy: -2.175 local terms energy: -174.835901 where: bonds (distance) C4'-P energy: -57.842 bonds (distance) P-C4' energy: -54.682 flat angles C4'-P-C4' energy: -44.318 flat angles P-C4'-P energy: -22.949 tors. eta vs tors. theta energy: 4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -248.089425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.089425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.089425 (E_RNA) where: Base-Base interactions energy: -82.634 where: short stacking energy: -63.303 Base-Backbone interact. energy: 0.689 local terms energy: -166.145018 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -54.114 flat angles C4'-P-C4' energy: -33.493 flat angles P-C4'-P energy: -24.239 tors. eta vs tors. theta energy: 4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -860.187065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.187065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.187065 (E_RNA) where: Base-Base interactions energy: -548.170 where: short stacking energy: -261.711 Base-Backbone interact. energy: -0.683 local terms energy: -311.334081 where: bonds (distance) C4'-P energy: -66.655 bonds (distance) P-C4' energy: -63.476 flat angles C4'-P-C4' energy: -73.080 flat angles P-C4'-P energy: -40.572 tors. eta vs tors. theta energy: -67.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -786.760561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.760561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.760561 (E_RNA) where: Base-Base interactions energy: -500.246 where: short stacking energy: -240.399 Base-Backbone interact. energy: -1.218 local terms energy: -285.296533 where: bonds (distance) C4'-P energy: -59.925 bonds (distance) P-C4' energy: -62.592 flat angles C4'-P-C4' energy: -58.532 flat angles P-C4'-P energy: -33.848 tors. eta vs tors. theta energy: -70.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -695.453234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.453234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.453234 (E_RNA) where: Base-Base interactions energy: -433.501 where: short stacking energy: -200.557 Base-Backbone interact. energy: -1.278 local terms energy: -260.674636 where: bonds (distance) C4'-P energy: -60.320 bonds (distance) P-C4' energy: -68.992 flat angles C4'-P-C4' energy: -65.408 flat angles P-C4'-P energy: -29.417 tors. eta vs tors. theta energy: -36.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -624.476434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.476434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.476434 (E_RNA) where: Base-Base interactions energy: -363.471 where: short stacking energy: -194.434 Base-Backbone interact. energy: -1.407 local terms energy: -259.599047 where: bonds (distance) C4'-P energy: -58.967 bonds (distance) P-C4' energy: -61.620 flat angles C4'-P-C4' energy: -65.625 flat angles P-C4'-P energy: -33.923 tors. eta vs tors. theta energy: -39.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -603.916510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.916510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.916510 (E_RNA) where: Base-Base interactions energy: -362.033 where: short stacking energy: -164.563 Base-Backbone interact. energy: -1.323 local terms energy: -240.560394 where: bonds (distance) C4'-P energy: -53.239 bonds (distance) P-C4' energy: -59.108 flat angles C4'-P-C4' energy: -53.540 flat angles P-C4'-P energy: -30.645 tors. eta vs tors. theta energy: -44.029 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: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -519.487899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.487899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.487899 (E_RNA) where: Base-Base interactions energy: -281.284 where: short stacking energy: -141.070 Base-Backbone interact. energy: -1.144 local terms energy: -237.059994 where: bonds (distance) C4'-P energy: -51.161 bonds (distance) P-C4' energy: -55.583 flat angles C4'-P-C4' energy: -57.532 flat angles P-C4'-P energy: -41.265 tors. eta vs tors. theta energy: -31.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -436.968768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.968768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.968768 (E_RNA) where: Base-Base interactions energy: -217.571 where: short stacking energy: -116.154 Base-Backbone interact. energy: 1.759 local terms energy: -221.157151 where: bonds (distance) C4'-P energy: -61.428 bonds (distance) P-C4' energy: -62.264 flat angles C4'-P-C4' energy: -58.393 flat angles P-C4'-P energy: -33.829 tors. eta vs tors. theta energy: -5.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -317.248848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.248848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.248848 (E_RNA) where: Base-Base interactions energy: -121.484 where: short stacking energy: -100.867 Base-Backbone interact. energy: 2.416 local terms energy: -198.181428 where: bonds (distance) C4'-P energy: -52.334 bonds (distance) P-C4' energy: -61.695 flat angles C4'-P-C4' energy: -47.146 flat angles P-C4'-P energy: -32.891 tors. eta vs tors. theta energy: -4.116 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: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -298.472256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.472256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.472256 (E_RNA) where: Base-Base interactions energy: -103.494 where: short stacking energy: -69.640 Base-Backbone interact. energy: -1.361 local terms energy: -193.617243 where: bonds (distance) C4'-P energy: -53.403 bonds (distance) P-C4' energy: -58.078 flat angles C4'-P-C4' energy: -59.912 flat angles P-C4'-P energy: -26.124 tors. eta vs tors. theta energy: 3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -262.676192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.676192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.676192 (E_RNA) where: Base-Base interactions energy: -89.061 where: short stacking energy: -81.867 Base-Backbone interact. energy: 0.499 local terms energy: -174.113696 where: bonds (distance) C4'-P energy: -48.110 bonds (distance) P-C4' energy: -45.200 flat angles C4'-P-C4' energy: -43.022 flat angles P-C4'-P energy: -31.878 tors. eta vs tors. theta energy: -5.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -888.385983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.385983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.385983 (E_RNA) where: Base-Base interactions energy: -568.127 where: short stacking energy: -244.751 Base-Backbone interact. energy: -1.207 local terms energy: -319.051860 where: bonds (distance) C4'-P energy: -63.203 bonds (distance) P-C4' energy: -70.966 flat angles C4'-P-C4' energy: -64.287 flat angles P-C4'-P energy: -44.707 tors. eta vs tors. theta energy: -75.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -810.516536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.516536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.516536 (E_RNA) where: Base-Base interactions energy: -502.241 where: short stacking energy: -231.457 Base-Backbone interact. energy: -4.260 local terms energy: -304.015597 where: bonds (distance) C4'-P energy: -65.606 bonds (distance) P-C4' energy: -64.317 flat angles C4'-P-C4' energy: -72.685 flat angles P-C4'-P energy: -46.289 tors. eta vs tors. theta energy: -55.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -720.041461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.041461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.041461 (E_RNA) where: Base-Base interactions energy: -439.180 where: short stacking energy: -215.978 Base-Backbone interact. energy: -2.836 local terms energy: -278.025934 where: bonds (distance) C4'-P energy: -62.048 bonds (distance) P-C4' energy: -54.316 flat angles C4'-P-C4' energy: -60.819 flat angles P-C4'-P energy: -41.146 tors. eta vs tors. theta energy: -59.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -647.330358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.330358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.330358 (E_RNA) where: Base-Base interactions energy: -381.376 where: short stacking energy: -186.968 Base-Backbone interact. energy: -2.376 local terms energy: -263.577531 where: bonds (distance) C4'-P energy: -58.512 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -66.508 flat angles P-C4'-P energy: -32.994 tors. eta vs tors. theta energy: -41.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -589.063969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.063969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.063969 (E_RNA) where: Base-Base interactions energy: -322.954 where: short stacking energy: -166.552 Base-Backbone interact. energy: -0.396 local terms energy: -265.713565 where: bonds (distance) C4'-P energy: -60.335 bonds (distance) P-C4' energy: -64.683 flat angles C4'-P-C4' energy: -61.424 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: -35.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -521.881940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.881940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.881940 (E_RNA) where: Base-Base interactions energy: -289.969 where: short stacking energy: -160.072 Base-Backbone interact. energy: -2.843 local terms energy: -229.070737 where: bonds (distance) C4'-P energy: -52.719 bonds (distance) P-C4' energy: -51.436 flat angles C4'-P-C4' energy: -64.151 flat angles P-C4'-P energy: -31.176 tors. eta vs tors. theta energy: -29.589 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: 4 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -399.910938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.910938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.910938 (E_RNA) where: Base-Base interactions energy: -192.086 where: short stacking energy: -115.383 Base-Backbone interact. energy: -0.989 local terms energy: -206.836176 where: bonds (distance) C4'-P energy: -58.024 bonds (distance) P-C4' energy: -59.869 flat angles C4'-P-C4' energy: -54.880 flat angles P-C4'-P energy: -22.002 tors. eta vs tors. theta energy: -12.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -334.847426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.847426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.847426 (E_RNA) where: Base-Base interactions energy: -158.089 where: short stacking energy: -88.110 Base-Backbone interact. energy: 0.391 local terms energy: -177.149890 where: bonds (distance) C4'-P energy: -48.927 bonds (distance) P-C4' energy: -42.220 flat angles C4'-P-C4' energy: -59.863 flat angles P-C4'-P energy: -27.122 tors. eta vs tors. theta energy: 0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -303.370349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.370349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.370349 (E_RNA) where: Base-Base interactions energy: -116.818 where: short stacking energy: -97.286 Base-Backbone interact. energy: 0.785 local terms energy: -187.337187 where: bonds (distance) C4'-P energy: -56.031 bonds (distance) P-C4' energy: -58.148 flat angles C4'-P-C4' energy: -45.838 flat angles P-C4'-P energy: -20.556 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -276.572741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.572741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.572741 (E_RNA) where: Base-Base interactions energy: -135.468 where: short stacking energy: -64.630 Base-Backbone interact. energy: 1.846 local terms energy: -142.950553 where: bonds (distance) C4'-P energy: -48.162 bonds (distance) P-C4' energy: -51.126 flat angles C4'-P-C4' energy: -34.043 flat angles P-C4'-P energy: -26.574 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: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -915.315128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.315128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.315128 (E_RNA) where: Base-Base interactions energy: -611.155 where: short stacking energy: -263.966 Base-Backbone interact. energy: -2.517 local terms energy: -301.642834 where: bonds (distance) C4'-P energy: -53.436 bonds (distance) P-C4' energy: -70.385 flat angles C4'-P-C4' energy: -60.161 flat angles P-C4'-P energy: -41.397 tors. eta vs tors. theta energy: -76.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -801.793665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.793665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.793665 (E_RNA) where: Base-Base interactions energy: -506.192 where: short stacking energy: -198.722 Base-Backbone interact. energy: -2.806 local terms energy: -292.795359 where: bonds (distance) C4'-P energy: -66.790 bonds (distance) P-C4' energy: -71.130 flat angles C4'-P-C4' energy: -60.212 flat angles P-C4'-P energy: -35.370 tors. eta vs tors. theta energy: -59.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -668.020635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.020635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.020635 (E_RNA) where: Base-Base interactions energy: -414.161 where: short stacking energy: -198.386 Base-Backbone interact. energy: -1.455 local terms energy: -252.404901 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -51.186 flat angles C4'-P-C4' energy: -58.695 flat angles P-C4'-P energy: -31.180 tors. eta vs tors. theta energy: -46.360 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: 10 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -676.148216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.148216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.148216 (E_RNA) where: Base-Base interactions energy: -394.712 where: short stacking energy: -200.518 Base-Backbone interact. energy: -0.437 local terms energy: -280.998721 where: bonds (distance) C4'-P energy: -57.053 bonds (distance) P-C4' energy: -57.854 flat angles C4'-P-C4' energy: -64.858 flat angles P-C4'-P energy: -42.145 tors. eta vs tors. theta energy: -59.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -575.454927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.454927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.454927 (E_RNA) where: Base-Base interactions energy: -343.390 where: short stacking energy: -154.599 Base-Backbone interact. energy: -1.927 local terms energy: -230.137936 where: bonds (distance) C4'-P energy: -49.476 bonds (distance) P-C4' energy: -56.965 flat angles C4'-P-C4' energy: -64.227 flat angles P-C4'-P energy: -29.694 tors. eta vs tors. theta energy: -29.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -530.090612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.090612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.090612 (E_RNA) where: Base-Base interactions energy: -278.814 where: short stacking energy: -148.720 Base-Backbone interact. energy: 0.789 local terms energy: -252.065577 where: bonds (distance) C4'-P energy: -55.976 bonds (distance) P-C4' energy: -59.961 flat angles C4'-P-C4' energy: -58.506 flat angles P-C4'-P energy: -46.635 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: 7, replica: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -401.676259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.676259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.676259 (E_RNA) where: Base-Base interactions energy: -187.720 where: short stacking energy: -122.363 Base-Backbone interact. energy: -2.860 local terms energy: -211.096260 where: bonds (distance) C4'-P energy: -50.700 bonds (distance) P-C4' energy: -68.938 flat angles C4'-P-C4' energy: -55.360 flat angles P-C4'-P energy: -17.859 tors. eta vs tors. theta energy: -18.240 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: 8, replica: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -361.065020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.065020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.065020 (E_RNA) where: Base-Base interactions energy: -159.329 where: short stacking energy: -92.395 Base-Backbone interact. energy: -1.692 local terms energy: -200.043614 where: bonds (distance) C4'-P energy: -57.135 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -49.347 flat angles P-C4'-P energy: -25.200 tors. eta vs tors. theta energy: 0.440 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: 9, replica: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -283.674212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.674212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.674212 (E_RNA) where: Base-Base interactions energy: -109.841 where: short stacking energy: -89.065 Base-Backbone interact. energy: -2.070 local terms energy: -171.763103 where: bonds (distance) C4'-P energy: -40.464 bonds (distance) P-C4' energy: -51.680 flat angles C4'-P-C4' energy: -52.169 flat angles P-C4'-P energy: -25.893 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -249.428887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.428887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.428887 (E_RNA) where: Base-Base interactions energy: -106.358 where: short stacking energy: -60.696 Base-Backbone interact. energy: 1.550 local terms energy: -144.621003 where: bonds (distance) C4'-P energy: -52.220 bonds (distance) P-C4' energy: -49.756 flat angles C4'-P-C4' energy: -40.359 flat angles P-C4'-P energy: -13.263 tors. eta vs tors. theta energy: 10.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -916.957338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.957338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.957338 (E_RNA) where: Base-Base interactions energy: -592.634 where: short stacking energy: -273.867 Base-Backbone interact. energy: -1.954 local terms energy: -322.369718 where: bonds (distance) C4'-P energy: -69.428 bonds (distance) P-C4' energy: -63.768 flat angles C4'-P-C4' energy: -65.489 flat angles P-C4'-P energy: -43.603 tors. eta vs tors. theta energy: -80.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -809.867801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.867801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.867801 (E_RNA) where: Base-Base interactions energy: -513.829 where: short stacking energy: -225.713 Base-Backbone interact. energy: -1.178 local terms energy: -294.860747 where: bonds (distance) C4'-P energy: -62.809 bonds (distance) P-C4' energy: -62.248 flat angles C4'-P-C4' energy: -67.925 flat angles P-C4'-P energy: -36.077 tors. eta vs tors. theta energy: -65.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -662.705856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.705856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.705856 (E_RNA) where: Base-Base interactions energy: -396.635 where: short stacking energy: -178.345 Base-Backbone interact. energy: -0.362 local terms energy: -265.708958 where: bonds (distance) C4'-P energy: -67.873 bonds (distance) P-C4' energy: -62.787 flat angles C4'-P-C4' energy: -53.856 flat angles P-C4'-P energy: -44.085 tors. eta vs tors. theta energy: -37.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -692.096927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.096927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.096927 (E_RNA) where: Base-Base interactions energy: -420.151 where: short stacking energy: -210.937 Base-Backbone interact. energy: 1.726 local terms energy: -273.671320 where: bonds (distance) C4'-P energy: -44.344 bonds (distance) P-C4' energy: -60.447 flat angles C4'-P-C4' energy: -67.014 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -57.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -564.932776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.932776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.932776 (E_RNA) where: Base-Base interactions energy: -309.857 where: short stacking energy: -151.662 Base-Backbone interact. energy: -1.949 local terms energy: -253.127432 where: bonds (distance) C4'-P energy: -57.904 bonds (distance) P-C4' energy: -60.450 flat angles C4'-P-C4' energy: -50.477 flat angles P-C4'-P energy: -52.197 tors. eta vs tors. theta energy: -32.099 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: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -589.987991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.987991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.987991 (E_RNA) where: Base-Base interactions energy: -322.589 where: short stacking energy: -164.675 Base-Backbone interact. energy: -1.896 local terms energy: -265.503030 where: bonds (distance) C4'-P energy: -66.746 bonds (distance) P-C4' energy: -63.198 flat angles C4'-P-C4' energy: -59.517 flat angles P-C4'-P energy: -38.184 tors. eta vs tors. theta energy: -37.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -378.600727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.600727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.600727 (E_RNA) where: Base-Base interactions energy: -188.365 where: short stacking energy: -117.869 Base-Backbone interact. energy: 3.142 local terms energy: -193.378155 where: bonds (distance) C4'-P energy: -65.589 bonds (distance) P-C4' energy: -64.912 flat angles C4'-P-C4' energy: -34.078 flat angles P-C4'-P energy: -15.084 tors. eta vs tors. theta energy: -13.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -337.397855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.397855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.397855 (E_RNA) where: Base-Base interactions energy: -138.080 where: short stacking energy: -72.954 Base-Backbone interact. energy: 2.514 local terms energy: -201.831878 where: bonds (distance) C4'-P energy: -53.671 bonds (distance) P-C4' energy: -64.577 flat angles C4'-P-C4' energy: -49.629 flat angles P-C4'-P energy: -37.606 tors. eta vs tors. theta energy: 3.651 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: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -350.811019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.811019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.811019 (E_RNA) where: Base-Base interactions energy: -171.382 where: short stacking energy: -113.769 Base-Backbone interact. energy: 4.815 local terms energy: -184.243981 where: bonds (distance) C4'-P energy: -50.725 bonds (distance) P-C4' energy: -55.508 flat angles C4'-P-C4' energy: -43.877 flat angles P-C4'-P energy: -26.384 tors. eta vs tors. theta energy: -7.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -271.147198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.147198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.147198 (E_RNA) where: Base-Base interactions energy: -92.243 where: short stacking energy: -85.141 Base-Backbone interact. energy: 6.373 local terms energy: -185.277610 where: bonds (distance) C4'-P energy: -51.010 bonds (distance) P-C4' energy: -65.491 flat angles C4'-P-C4' energy: -39.963 flat angles P-C4'-P energy: -28.787 tors. eta vs tors. theta energy: -0.027 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: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -924.215680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.215680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.215680 (E_RNA) where: Base-Base interactions energy: -607.163 where: short stacking energy: -255.545 Base-Backbone interact. energy: -1.993 local terms energy: -315.060221 where: bonds (distance) C4'-P energy: -66.672 bonds (distance) P-C4' energy: -69.010 flat angles C4'-P-C4' energy: -62.161 flat angles P-C4'-P energy: -39.550 tors. eta vs tors. theta energy: -77.668 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: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -818.843706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.843706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.843706 (E_RNA) where: Base-Base interactions energy: -520.795 where: short stacking energy: -244.138 Base-Backbone interact. energy: -3.223 local terms energy: -294.825366 where: bonds (distance) C4'-P energy: -69.880 bonds (distance) P-C4' energy: -58.745 flat angles C4'-P-C4' energy: -57.501 flat angles P-C4'-P energy: -38.679 tors. eta vs tors. theta energy: -70.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -729.149205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.149205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.149205 (E_RNA) where: Base-Base interactions energy: -432.134 where: short stacking energy: -199.202 Base-Backbone interact. energy: -1.654 local terms energy: -295.361595 where: bonds (distance) C4'-P energy: -70.723 bonds (distance) P-C4' energy: -66.518 flat angles C4'-P-C4' energy: -73.987 flat angles P-C4'-P energy: -38.797 tors. eta vs tors. theta energy: -45.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -657.411492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.411492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.411492 (E_RNA) where: Base-Base interactions energy: -388.723 where: short stacking energy: -196.705 Base-Backbone interact. energy: -0.593 local terms energy: -268.095805 where: bonds (distance) C4'-P energy: -68.082 bonds (distance) P-C4' energy: -63.394 flat angles C4'-P-C4' energy: -56.233 flat angles P-C4'-P energy: -39.624 tors. eta vs tors. theta energy: -40.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -640.262021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.262021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.262021 (E_RNA) where: Base-Base interactions energy: -385.571 where: short stacking energy: -180.772 Base-Backbone interact. energy: -1.177 local terms energy: -253.513776 where: bonds (distance) C4'-P energy: -60.871 bonds (distance) P-C4' energy: -65.922 flat angles C4'-P-C4' energy: -55.007 flat angles P-C4'-P energy: -33.125 tors. eta vs tors. theta energy: -38.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -499.473076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.473076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.473076 (E_RNA) where: Base-Base interactions energy: -294.370 where: short stacking energy: -169.771 Base-Backbone interact. energy: -3.152 local terms energy: -201.951161 where: bonds (distance) C4'-P energy: -36.941 bonds (distance) P-C4' energy: -58.957 flat angles C4'-P-C4' energy: -39.659 flat angles P-C4'-P energy: -36.611 tors. eta vs tors. theta energy: -29.784 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: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -387.043759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.043759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.043759 (E_RNA) where: Base-Base interactions energy: -184.009 where: short stacking energy: -127.732 Base-Backbone interact. energy: 1.151 local terms energy: -204.185634 where: bonds (distance) C4'-P energy: -51.955 bonds (distance) P-C4' energy: -57.638 flat angles C4'-P-C4' energy: -50.547 flat angles P-C4'-P energy: -32.343 tors. eta vs tors. theta energy: -11.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -302.159552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.159552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.159552 (E_RNA) where: Base-Base interactions energy: -106.237 where: short stacking energy: -83.448 Base-Backbone interact. energy: 3.227 local terms energy: -199.150203 where: bonds (distance) C4'-P energy: -53.306 bonds (distance) P-C4' energy: -64.047 flat angles C4'-P-C4' energy: -60.883 flat angles P-C4'-P energy: -28.743 tors. eta vs tors. theta energy: 7.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -355.733009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.733009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.733009 (E_RNA) where: Base-Base interactions energy: -175.612 where: short stacking energy: -90.989 Base-Backbone interact. energy: 3.829 local terms energy: -183.949510 where: bonds (distance) C4'-P energy: -52.217 bonds (distance) P-C4' energy: -58.455 flat angles C4'-P-C4' energy: -51.622 flat angles P-C4'-P energy: -17.803 tors. eta vs tors. theta energy: -3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -274.722866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.722866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.722866 (E_RNA) where: Base-Base interactions energy: -100.941 where: short stacking energy: -73.258 Base-Backbone interact. energy: -0.987 local terms energy: -172.795189 where: bonds (distance) C4'-P energy: -51.814 bonds (distance) P-C4' energy: -52.877 flat angles C4'-P-C4' energy: -43.312 flat angles P-C4'-P energy: -24.966 tors. eta vs tors. theta energy: 0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -892.023702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.023702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.023702 (E_RNA) where: Base-Base interactions energy: -589.041 where: short stacking energy: -258.758 Base-Backbone interact. energy: -1.843 local terms energy: -301.140222 where: bonds (distance) C4'-P energy: -57.251 bonds (distance) P-C4' energy: -65.073 flat angles C4'-P-C4' energy: -65.200 flat angles P-C4'-P energy: -42.496 tors. eta vs tors. theta energy: -71.120 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: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -801.063986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.063986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.063986 (E_RNA) where: Base-Base interactions energy: -517.082 where: short stacking energy: -249.797 Base-Backbone interact. energy: -1.300 local terms energy: -282.682143 where: bonds (distance) C4'-P energy: -63.509 bonds (distance) P-C4' energy: -63.415 flat angles C4'-P-C4' energy: -54.995 flat angles P-C4'-P energy: -39.153 tors. eta vs tors. theta energy: -61.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -781.339996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.339996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.339996 (E_RNA) where: Base-Base interactions energy: -498.394 where: short stacking energy: -236.601 Base-Backbone interact. energy: -1.238 local terms energy: -281.708134 where: bonds (distance) C4'-P energy: -56.640 bonds (distance) P-C4' energy: -70.991 flat angles C4'-P-C4' energy: -56.383 flat angles P-C4'-P energy: -32.407 tors. eta vs tors. theta energy: -65.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -687.042257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.042257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.042257 (E_RNA) where: Base-Base interactions energy: -404.735 where: short stacking energy: -177.382 Base-Backbone interact. energy: -1.414 local terms energy: -280.893651 where: bonds (distance) C4'-P energy: -60.802 bonds (distance) P-C4' energy: -65.251 flat angles C4'-P-C4' energy: -60.639 flat angles P-C4'-P energy: -44.460 tors. eta vs tors. theta energy: -49.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -565.510593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.510593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.510593 (E_RNA) where: Base-Base interactions energy: -312.479 where: short stacking energy: -189.482 Base-Backbone interact. energy: -3.009 local terms energy: -250.022142 where: bonds (distance) C4'-P energy: -56.654 bonds (distance) P-C4' energy: -56.925 flat angles C4'-P-C4' energy: -58.562 flat angles P-C4'-P energy: -34.859 tors. eta vs tors. theta energy: -43.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -526.200931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.200931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.200931 (E_RNA) where: Base-Base interactions energy: -299.441 where: short stacking energy: -163.427 Base-Backbone interact. energy: -1.751 local terms energy: -225.008605 where: bonds (distance) C4'-P energy: -49.859 bonds (distance) P-C4' energy: -64.894 flat angles C4'-P-C4' energy: -46.122 flat angles P-C4'-P energy: -30.734 tors. eta vs tors. theta energy: -33.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -335.957733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.957733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.957733 (E_RNA) where: Base-Base interactions energy: -126.106 where: short stacking energy: -105.779 Base-Backbone interact. energy: -0.492 local terms energy: -209.360090 where: bonds (distance) C4'-P energy: -55.597 bonds (distance) P-C4' energy: -60.505 flat angles C4'-P-C4' energy: -41.596 flat angles P-C4'-P energy: -41.122 tors. eta vs tors. theta energy: -10.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -364.691322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.691322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.691322 (E_RNA) where: Base-Base interactions energy: -161.727 where: short stacking energy: -82.996 Base-Backbone interact. energy: -1.919 local terms energy: -201.045351 where: bonds (distance) C4'-P energy: -46.711 bonds (distance) P-C4' energy: -56.066 flat angles C4'-P-C4' energy: -54.956 flat angles P-C4'-P energy: -37.426 tors. eta vs tors. theta energy: -5.887 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: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -288.943210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.943210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.943210 (E_RNA) where: Base-Base interactions energy: -112.322 where: short stacking energy: -98.853 Base-Backbone interact. energy: -0.024 local terms energy: -176.596952 where: bonds (distance) C4'-P energy: -53.864 bonds (distance) P-C4' energy: -59.753 flat angles C4'-P-C4' energy: -43.261 flat angles P-C4'-P energy: -26.775 tors. eta vs tors. theta energy: 7.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -274.652314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.652314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.652314 (E_RNA) where: Base-Base interactions energy: -90.616 where: short stacking energy: -69.954 Base-Backbone interact. energy: -1.496 local terms energy: -182.540788 where: bonds (distance) C4'-P energy: -39.757 bonds (distance) P-C4' energy: -56.662 flat angles C4'-P-C4' energy: -47.094 flat angles P-C4'-P energy: -36.090 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -919.923579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.923579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.923579 (E_RNA) where: Base-Base interactions energy: -630.206 where: short stacking energy: -277.628 Base-Backbone interact. energy: -1.158 local terms energy: -288.559955 where: bonds (distance) C4'-P energy: -54.635 bonds (distance) P-C4' energy: -66.911 flat angles C4'-P-C4' energy: -64.916 flat angles P-C4'-P energy: -36.215 tors. eta vs tors. theta energy: -65.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -802.556370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.556370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.556370 (E_RNA) where: Base-Base interactions energy: -520.591 where: short stacking energy: -222.300 Base-Backbone interact. energy: -1.455 local terms energy: -280.510471 where: bonds (distance) C4'-P energy: -55.827 bonds (distance) P-C4' energy: -66.218 flat angles C4'-P-C4' energy: -58.802 flat angles P-C4'-P energy: -30.379 tors. eta vs tors. theta energy: -69.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -763.882330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.882330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.882330 (E_RNA) where: Base-Base interactions energy: -487.133 where: short stacking energy: -241.778 Base-Backbone interact. energy: -0.405 local terms energy: -276.344107 where: bonds (distance) C4'-P energy: -59.381 bonds (distance) P-C4' energy: -56.292 flat angles C4'-P-C4' energy: -62.894 flat angles P-C4'-P energy: -39.232 tors. eta vs tors. theta energy: -58.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -694.930663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.930663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.930663 (E_RNA) where: Base-Base interactions energy: -413.807 where: short stacking energy: -201.024 Base-Backbone interact. energy: -3.096 local terms energy: -278.027556 where: bonds (distance) C4'-P energy: -64.498 bonds (distance) P-C4' energy: -54.863 flat angles C4'-P-C4' energy: -62.670 flat angles P-C4'-P energy: -52.498 tors. eta vs tors. theta energy: -43.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -545.707207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.707207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.707207 (E_RNA) where: Base-Base interactions energy: -296.149 where: short stacking energy: -142.200 Base-Backbone interact. energy: -0.720 local terms energy: -248.837745 where: bonds (distance) C4'-P energy: -64.357 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -47.114 flat angles P-C4'-P energy: -37.528 tors. eta vs tors. theta energy: -34.928 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: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -552.507922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.507922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.507922 (E_RNA) where: Base-Base interactions energy: -317.202 where: short stacking energy: -148.815 Base-Backbone interact. energy: -0.765 local terms energy: -234.540904 where: bonds (distance) C4'-P energy: -50.219 bonds (distance) P-C4' energy: -59.015 flat angles C4'-P-C4' energy: -53.875 flat angles P-C4'-P energy: -45.182 tors. eta vs tors. theta energy: -26.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -368.484916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.484916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.484916 (E_RNA) where: Base-Base interactions energy: -159.045 where: short stacking energy: -113.909 Base-Backbone interact. energy: 1.151 local terms energy: -210.591309 where: bonds (distance) C4'-P energy: -51.829 bonds (distance) P-C4' energy: -56.290 flat angles C4'-P-C4' energy: -54.956 flat angles P-C4'-P energy: -31.812 tors. eta vs tors. theta energy: -15.704 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: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -292.240985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.240985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.240985 (E_RNA) where: Base-Base interactions energy: -115.525 where: short stacking energy: -92.086 Base-Backbone interact. energy: -1.318 local terms energy: -175.397724 where: bonds (distance) C4'-P energy: -54.910 bonds (distance) P-C4' energy: -45.491 flat angles C4'-P-C4' energy: -43.822 flat angles P-C4'-P energy: -37.820 tors. eta vs tors. theta energy: 6.645 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: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -305.816525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.816525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.816525 (E_RNA) where: Base-Base interactions energy: -127.005 where: short stacking energy: -87.197 Base-Backbone interact. energy: -1.514 local terms energy: -177.297957 where: bonds (distance) C4'-P energy: -49.814 bonds (distance) P-C4' energy: -54.251 flat angles C4'-P-C4' energy: -51.781 flat angles P-C4'-P energy: -24.350 tors. eta vs tors. theta energy: 2.897 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: 10, replica: 6 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -258.190860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.190860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.190860 (E_RNA) where: Base-Base interactions energy: -88.783 where: short stacking energy: -60.405 Base-Backbone interact. energy: 0.118 local terms energy: -169.526446 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -55.613 flat angles C4'-P-C4' energy: -37.878 flat angles P-C4'-P energy: -14.092 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -889.789620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.789620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.789620 (E_RNA) where: Base-Base interactions energy: -579.579 where: short stacking energy: -260.627 Base-Backbone interact. energy: -2.831 local terms energy: -307.380232 where: bonds (distance) C4'-P energy: -51.630 bonds (distance) P-C4' energy: -74.846 flat angles C4'-P-C4' energy: -64.884 flat angles P-C4'-P energy: -44.724 tors. eta vs tors. theta energy: -71.296 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: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -845.126935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.126935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.126935 (E_RNA) where: Base-Base interactions energy: -532.940 where: short stacking energy: -256.686 Base-Backbone interact. energy: 0.841 local terms energy: -313.027547 where: bonds (distance) C4'-P energy: -61.105 bonds (distance) P-C4' energy: -60.566 flat angles C4'-P-C4' energy: -67.924 flat angles P-C4'-P energy: -41.488 tors. eta vs tors. theta energy: -81.945 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: 10 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -743.752301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.752301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.752301 (E_RNA) where: Base-Base interactions energy: -447.645 where: short stacking energy: -221.820 Base-Backbone interact. energy: 0.395 local terms energy: -296.502410 where: bonds (distance) C4'-P energy: -56.903 bonds (distance) P-C4' energy: -72.625 flat angles C4'-P-C4' energy: -67.604 flat angles P-C4'-P energy: -43.890 tors. eta vs tors. theta energy: -55.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -699.237765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.237765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.237765 (E_RNA) where: Base-Base interactions energy: -425.422 where: short stacking energy: -209.415 Base-Backbone interact. energy: -0.923 local terms energy: -272.891986 where: bonds (distance) C4'-P energy: -60.530 bonds (distance) P-C4' energy: -59.442 flat angles C4'-P-C4' energy: -66.958 flat angles P-C4'-P energy: -41.063 tors. eta vs tors. theta energy: -44.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -535.107315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.107315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.107315 (E_RNA) where: Base-Base interactions energy: -275.041 where: short stacking energy: -148.362 Base-Backbone interact. energy: 0.308 local terms energy: -260.375009 where: bonds (distance) C4'-P energy: -62.888 bonds (distance) P-C4' energy: -60.480 flat angles C4'-P-C4' energy: -64.841 flat angles P-C4'-P energy: -47.141 tors. eta vs tors. theta energy: -25.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -531.470510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.470510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.470510 (E_RNA) where: Base-Base interactions energy: -307.815 where: short stacking energy: -159.647 Base-Backbone interact. energy: 1.465 local terms energy: -225.120546 where: bonds (distance) C4'-P energy: -53.258 bonds (distance) P-C4' energy: -55.383 flat angles C4'-P-C4' energy: -52.847 flat angles P-C4'-P energy: -31.707 tors. eta vs tors. theta energy: -31.926 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: 7, replica: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -405.662780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.662780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.662780 (E_RNA) where: Base-Base interactions energy: -196.789 where: short stacking energy: -121.476 Base-Backbone interact. energy: 1.405 local terms energy: -210.278465 where: bonds (distance) C4'-P energy: -50.342 bonds (distance) P-C4' energy: -64.787 flat angles C4'-P-C4' energy: -52.140 flat angles P-C4'-P energy: -29.979 tors. eta vs tors. theta energy: -13.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -326.822883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.822883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.822883 (E_RNA) where: Base-Base interactions energy: -123.353 where: short stacking energy: -90.221 Base-Backbone interact. energy: -0.959 local terms energy: -202.510859 where: bonds (distance) C4'-P energy: -66.030 bonds (distance) P-C4' energy: -48.046 flat angles C4'-P-C4' energy: -57.927 flat angles P-C4'-P energy: -31.280 tors. eta vs tors. theta energy: 0.771 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: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -280.707358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.707358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.707358 (E_RNA) where: Base-Base interactions energy: -107.831 where: short stacking energy: -73.664 Base-Backbone interact. energy: 2.094 local terms energy: -174.969549 where: bonds (distance) C4'-P energy: -45.520 bonds (distance) P-C4' energy: -53.768 flat angles C4'-P-C4' energy: -39.586 flat angles P-C4'-P energy: -34.635 tors. eta vs tors. theta energy: -1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -255.539027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.539027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.539027 (E_RNA) where: Base-Base interactions energy: -76.924 where: short stacking energy: -64.544 Base-Backbone interact. energy: -0.778 local terms energy: -177.836973 where: bonds (distance) C4'-P energy: -56.921 bonds (distance) P-C4' energy: -51.807 flat angles C4'-P-C4' energy: -46.346 flat angles P-C4'-P energy: -27.396 tors. eta vs tors. theta energy: 4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -914.078180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.078180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.078180 (E_RNA) where: Base-Base interactions energy: -613.153 where: short stacking energy: -267.349 Base-Backbone interact. energy: -3.013 local terms energy: -297.911932 where: bonds (distance) C4'-P energy: -49.904 bonds (distance) P-C4' energy: -64.323 flat angles C4'-P-C4' energy: -63.160 flat angles P-C4'-P energy: -43.341 tors. eta vs tors. theta energy: -77.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -822.886460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.886460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.886460 (E_RNA) where: Base-Base interactions energy: -524.742 where: short stacking energy: -240.508 Base-Backbone interact. energy: -1.194 local terms energy: -296.950294 where: bonds (distance) C4'-P energy: -63.114 bonds (distance) P-C4' energy: -60.978 flat angles C4'-P-C4' energy: -61.931 flat angles P-C4'-P energy: -39.676 tors. eta vs tors. theta energy: -71.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -739.147940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.147940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.147940 (E_RNA) where: Base-Base interactions energy: -452.529 where: short stacking energy: -204.890 Base-Backbone interact. energy: -0.537 local terms energy: -286.081119 where: bonds (distance) C4'-P energy: -70.226 bonds (distance) P-C4' energy: -51.748 flat angles C4'-P-C4' energy: -61.008 flat angles P-C4'-P energy: -51.697 tors. eta vs tors. theta energy: -51.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -687.953706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.953706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.953706 (E_RNA) where: Base-Base interactions energy: -427.245 where: short stacking energy: -199.143 Base-Backbone interact. energy: -0.258 local terms energy: -260.450833 where: bonds (distance) C4'-P energy: -56.582 bonds (distance) P-C4' energy: -54.123 flat angles C4'-P-C4' energy: -56.102 flat angles P-C4'-P energy: -39.377 tors. eta vs tors. theta energy: -54.266 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: 5, replica: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -546.480734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.480734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.480734 (E_RNA) where: Base-Base interactions energy: -291.757 where: short stacking energy: -167.687 Base-Backbone interact. energy: -0.475 local terms energy: -254.248373 where: bonds (distance) C4'-P energy: -44.066 bonds (distance) P-C4' energy: -70.197 flat angles C4'-P-C4' energy: -62.950 flat angles P-C4'-P energy: -39.916 tors. eta vs tors. theta energy: -37.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -499.270386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.270386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.270386 (E_RNA) where: Base-Base interactions energy: -264.237 where: short stacking energy: -132.046 Base-Backbone interact. energy: -1.250 local terms energy: -233.783805 where: bonds (distance) C4'-P energy: -66.129 bonds (distance) P-C4' energy: -63.681 flat angles C4'-P-C4' energy: -51.232 flat angles P-C4'-P energy: -34.336 tors. eta vs tors. theta energy: -18.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -369.584359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.584359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.584359 (E_RNA) where: Base-Base interactions energy: -153.907 where: short stacking energy: -100.089 Base-Backbone interact. energy: -0.227 local terms energy: -215.450703 where: bonds (distance) C4'-P energy: -63.634 bonds (distance) P-C4' energy: -56.055 flat angles C4'-P-C4' energy: -46.635 flat angles P-C4'-P energy: -42.290 tors. eta vs tors. theta energy: -6.837 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: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -297.273025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.273025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.273025 (E_RNA) where: Base-Base interactions energy: -109.393 where: short stacking energy: -72.317 Base-Backbone interact. energy: -2.109 local terms energy: -185.771131 where: bonds (distance) C4'-P energy: -60.527 bonds (distance) P-C4' energy: -53.167 flat angles C4'-P-C4' energy: -47.510 flat angles P-C4'-P energy: -34.838 tors. eta vs tors. theta energy: 10.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -269.028838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.028838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.028838 (E_RNA) where: Base-Base interactions energy: -99.805 where: short stacking energy: -72.969 Base-Backbone interact. energy: 0.189 local terms energy: -169.412588 where: bonds (distance) C4'-P energy: -63.726 bonds (distance) P-C4' energy: -54.638 flat angles C4'-P-C4' energy: -41.263 flat angles P-C4'-P energy: -19.290 tors. eta vs tors. theta energy: 9.504 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: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -277.315448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.315448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.315448 (E_RNA) where: Base-Base interactions energy: -105.247 where: short stacking energy: -78.293 Base-Backbone interact. energy: -0.851 local terms energy: -171.217112 where: bonds (distance) C4'-P energy: -36.866 bonds (distance) P-C4' energy: -57.243 flat angles C4'-P-C4' energy: -55.723 flat angles P-C4'-P energy: -26.771 tors. eta vs tors. theta energy: 5.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -916.615597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.615597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.615597 (E_RNA) where: Base-Base interactions energy: -612.007 where: short stacking energy: -262.177 Base-Backbone interact. energy: -2.270 local terms energy: -302.338638 where: bonds (distance) C4'-P energy: -54.499 bonds (distance) P-C4' energy: -53.722 flat angles C4'-P-C4' energy: -68.612 flat angles P-C4'-P energy: -46.940 tors. eta vs tors. theta energy: -78.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -837.658410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.658410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.658410 (E_RNA) where: Base-Base interactions energy: -534.910 where: short stacking energy: -225.471 Base-Backbone interact. energy: 6.743 local terms energy: -309.491903 where: bonds (distance) C4'-P energy: -59.627 bonds (distance) P-C4' energy: -64.663 flat angles C4'-P-C4' energy: -60.382 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: -72.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -766.112463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.112463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.112463 (E_RNA) where: Base-Base interactions energy: -462.218 where: short stacking energy: -210.871 Base-Backbone interact. energy: -1.426 local terms energy: -302.468129 where: bonds (distance) C4'-P energy: -68.379 bonds (distance) P-C4' energy: -69.760 flat angles C4'-P-C4' energy: -65.803 flat angles P-C4'-P energy: -39.728 tors. eta vs tors. theta energy: -58.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -717.804153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.804153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.804153 (E_RNA) where: Base-Base interactions energy: -441.923 where: short stacking energy: -212.893 Base-Backbone interact. energy: -1.533 local terms energy: -274.347746 where: bonds (distance) C4'-P energy: -47.908 bonds (distance) P-C4' energy: -66.339 flat angles C4'-P-C4' energy: -50.231 flat angles P-C4'-P energy: -40.981 tors. eta vs tors. theta energy: -68.889 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: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -543.802616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.802616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.802616 (E_RNA) where: Base-Base interactions energy: -292.601 where: short stacking energy: -166.744 Base-Backbone interact. energy: 0.253 local terms energy: -251.454192 where: bonds (distance) C4'-P energy: -64.563 bonds (distance) P-C4' energy: -49.578 flat angles C4'-P-C4' energy: -55.737 flat angles P-C4'-P energy: -42.024 tors. eta vs tors. theta energy: -39.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -468.093320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.093320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.093320 (E_RNA) where: Base-Base interactions energy: -234.429 where: short stacking energy: -150.468 Base-Backbone interact. energy: 1.805 local terms energy: -235.468458 where: bonds (distance) C4'-P energy: -56.617 bonds (distance) P-C4' energy: -59.435 flat angles C4'-P-C4' energy: -52.273 flat angles P-C4'-P energy: -37.552 tors. eta vs tors. theta energy: -29.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -382.196659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.196659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.196659 (E_RNA) where: Base-Base interactions energy: -156.095 where: short stacking energy: -111.362 Base-Backbone interact. energy: -1.094 local terms energy: -225.008063 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -65.109 flat angles C4'-P-C4' energy: -59.874 flat angles P-C4'-P energy: -29.004 tors. eta vs tors. theta energy: -17.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -295.149257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.149257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.149257 (E_RNA) where: Base-Base interactions energy: -114.828 where: short stacking energy: -84.014 Base-Backbone interact. energy: 1.408 local terms energy: -181.729234 where: bonds (distance) C4'-P energy: -43.209 bonds (distance) P-C4' energy: -58.141 flat angles C4'-P-C4' energy: -37.946 flat angles P-C4'-P energy: -32.240 tors. eta vs tors. theta energy: -10.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -284.806998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.806998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.806998 (E_RNA) where: Base-Base interactions energy: -111.774 where: short stacking energy: -93.970 Base-Backbone interact. energy: -0.851 local terms energy: -172.181659 where: bonds (distance) C4'-P energy: -55.903 bonds (distance) P-C4' energy: -63.989 flat angles C4'-P-C4' energy: -32.607 flat angles P-C4'-P energy: -18.807 tors. eta vs tors. theta energy: -0.876 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: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -278.998910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.998910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.998910 (E_RNA) where: Base-Base interactions energy: -115.587 where: short stacking energy: -83.036 Base-Backbone interact. energy: 1.227 local terms energy: -164.638570 where: bonds (distance) C4'-P energy: -40.287 bonds (distance) P-C4' energy: -51.546 flat angles C4'-P-C4' energy: -43.980 flat angles P-C4'-P energy: -40.292 tors. eta vs tors. theta energy: 11.466 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: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -906.633071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.633071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.633071 (E_RNA) where: Base-Base interactions energy: -602.008 where: short stacking energy: -256.504 Base-Backbone interact. energy: -0.144 local terms energy: -304.480957 where: bonds (distance) C4'-P energy: -59.210 bonds (distance) P-C4' energy: -70.813 flat angles C4'-P-C4' energy: -59.034 flat angles P-C4'-P energy: -43.667 tors. eta vs tors. theta energy: -71.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -856.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.359153 (E_RNA) where: Base-Base interactions energy: -540.701 where: short stacking energy: -234.837 Base-Backbone interact. energy: -3.259 local terms energy: -312.399313 where: bonds (distance) C4'-P energy: -66.114 bonds (distance) P-C4' energy: -64.953 flat angles C4'-P-C4' energy: -69.587 flat angles P-C4'-P energy: -50.115 tors. eta vs tors. theta energy: -61.630 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: 10 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -733.537571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.537571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.537571 (E_RNA) where: Base-Base interactions energy: -442.552 where: short stacking energy: -213.782 Base-Backbone interact. energy: -0.474 local terms energy: -290.511954 where: bonds (distance) C4'-P energy: -62.020 bonds (distance) P-C4' energy: -60.667 flat angles C4'-P-C4' energy: -61.261 flat angles P-C4'-P energy: -45.463 tors. eta vs tors. theta energy: -61.101 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: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -699.149489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.149489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.149489 (E_RNA) where: Base-Base interactions energy: -417.947 where: short stacking energy: -207.922 Base-Backbone interact. energy: -1.064 local terms energy: -280.138816 where: bonds (distance) C4'-P energy: -58.126 bonds (distance) P-C4' energy: -53.812 flat angles C4'-P-C4' energy: -69.201 flat angles P-C4'-P energy: -48.571 tors. eta vs tors. theta energy: -50.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -560.205387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.205387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.205387 (E_RNA) where: Base-Base interactions energy: -314.728 where: short stacking energy: -197.993 Base-Backbone interact. energy: -0.723 local terms energy: -244.754441 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -56.550 flat angles C4'-P-C4' energy: -52.802 flat angles P-C4'-P energy: -35.103 tors. eta vs tors. theta energy: -40.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -445.623143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.623143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.623143 (E_RNA) where: Base-Base interactions energy: -223.198 where: short stacking energy: -125.693 Base-Backbone interact. energy: -1.684 local terms energy: -220.741388 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -61.505 flat angles C4'-P-C4' energy: -49.190 flat angles P-C4'-P energy: -35.881 tors. eta vs tors. theta energy: -16.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -410.531621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.531621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.531621 (E_RNA) where: Base-Base interactions energy: -189.210 where: short stacking energy: -124.767 Base-Backbone interact. energy: -0.174 local terms energy: -221.147672 where: bonds (distance) C4'-P energy: -52.430 bonds (distance) P-C4' energy: -54.475 flat angles C4'-P-C4' energy: -60.210 flat angles P-C4'-P energy: -43.316 tors. eta vs tors. theta energy: -10.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -321.809353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.809353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.809353 (E_RNA) where: Base-Base interactions energy: -134.646 where: short stacking energy: -93.457 Base-Backbone interact. energy: 0.320 local terms energy: -187.482961 where: bonds (distance) C4'-P energy: -48.498 bonds (distance) P-C4' energy: -61.117 flat angles C4'-P-C4' energy: -44.206 flat angles P-C4'-P energy: -38.240 tors. eta vs tors. theta energy: 4.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -281.153691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.153691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.153691 (E_RNA) where: Base-Base interactions energy: -100.232 where: short stacking energy: -81.386 Base-Backbone interact. energy: 0.784 local terms energy: -181.706148 where: bonds (distance) C4'-P energy: -53.849 bonds (distance) P-C4' energy: -58.209 flat angles C4'-P-C4' energy: -54.579 flat angles P-C4'-P energy: -22.566 tors. eta vs tors. theta energy: 7.497 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: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -260.629683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.629683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.629683 (E_RNA) where: Base-Base interactions energy: -86.575 where: short stacking energy: -80.229 Base-Backbone interact. energy: 0.568 local terms energy: -174.622245 where: bonds (distance) C4'-P energy: -55.714 bonds (distance) P-C4' energy: -60.643 flat angles C4'-P-C4' energy: -41.296 flat angles P-C4'-P energy: -24.435 tors. eta vs tors. theta energy: 7.465 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: 23 Temperature: 0.900000 Total energy: -942.379771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.379771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.379771 (E_RNA) where: Base-Base interactions energy: -606.480 where: short stacking energy: -271.045 Base-Backbone interact. energy: -0.701 local terms energy: -335.198571 where: bonds (distance) C4'-P energy: -62.646 bonds (distance) P-C4' energy: -65.908 flat angles C4'-P-C4' energy: -71.099 flat angles P-C4'-P energy: -53.736 tors. eta vs tors. theta energy: -81.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -853.502542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.502542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.502542 (E_RNA) where: Base-Base interactions energy: -545.408 where: short stacking energy: -244.365 Base-Backbone interact. energy: -1.461 local terms energy: -306.633176 where: bonds (distance) C4'-P energy: -55.592 bonds (distance) P-C4' energy: -63.405 flat angles C4'-P-C4' energy: -69.070 flat angles P-C4'-P energy: -45.191 tors. eta vs tors. theta energy: -73.376 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: 10 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -805.795571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.795571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.795571 (E_RNA) where: Base-Base interactions energy: -518.134 where: short stacking energy: -240.128 Base-Backbone interact. energy: -1.220 local terms energy: -286.441264 where: bonds (distance) C4'-P energy: -55.613 bonds (distance) P-C4' energy: -63.324 flat angles C4'-P-C4' energy: -63.571 flat angles P-C4'-P energy: -39.319 tors. eta vs tors. theta energy: -64.615 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: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -722.406312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.406312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.406312 (E_RNA) where: Base-Base interactions energy: -476.076 where: short stacking energy: -207.039 Base-Backbone interact. energy: -2.366 local terms energy: -243.964414 where: bonds (distance) C4'-P energy: -42.516 bonds (distance) P-C4' energy: -55.818 flat angles C4'-P-C4' energy: -59.804 flat angles P-C4'-P energy: -38.964 tors. eta vs tors. theta energy: -46.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -586.236855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.236855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.236855 (E_RNA) where: Base-Base interactions energy: -341.631 where: short stacking energy: -179.660 Base-Backbone interact. energy: -0.132 local terms energy: -244.474474 where: bonds (distance) C4'-P energy: -55.790 bonds (distance) P-C4' energy: -54.686 flat angles C4'-P-C4' energy: -52.144 flat angles P-C4'-P energy: -34.550 tors. eta vs tors. theta energy: -47.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -476.373422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.373422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.373422 (E_RNA) where: Base-Base interactions energy: -245.342 where: short stacking energy: -141.889 Base-Backbone interact. energy: -0.737 local terms energy: -230.294673 where: bonds (distance) C4'-P energy: -46.517 bonds (distance) P-C4' energy: -65.144 flat angles C4'-P-C4' energy: -56.613 flat angles P-C4'-P energy: -37.934 tors. eta vs tors. theta energy: -24.086 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: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -379.084987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.084987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.084987 (E_RNA) where: Base-Base interactions energy: -166.131 where: short stacking energy: -108.754 Base-Backbone interact. energy: 1.510 local terms energy: -214.463999 where: bonds (distance) C4'-P energy: -51.419 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -51.286 flat angles P-C4'-P energy: -35.314 tors. eta vs tors. theta energy: -14.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -311.418243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.418243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.418243 (E_RNA) where: Base-Base interactions energy: -129.427 where: short stacking energy: -93.423 Base-Backbone interact. energy: -0.038 local terms energy: -181.953249 where: bonds (distance) C4'-P energy: -49.331 bonds (distance) P-C4' energy: -56.456 flat angles C4'-P-C4' energy: -43.273 flat angles P-C4'-P energy: -34.162 tors. eta vs tors. theta energy: 1.269 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: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -355.015249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.015249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.015249 (E_RNA) where: Base-Base interactions energy: -183.398 where: short stacking energy: -108.454 Base-Backbone interact. energy: -1.969 local terms energy: -169.647693 where: bonds (distance) C4'-P energy: -53.278 bonds (distance) P-C4' energy: -45.766 flat angles C4'-P-C4' energy: -44.491 flat angles P-C4'-P energy: -16.105 tors. eta vs tors. theta energy: -10.007 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: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -243.769611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.769611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.769611 (E_RNA) where: Base-Base interactions energy: -93.565 where: short stacking energy: -68.688 Base-Backbone interact. energy: -1.342 local terms energy: -148.861960 where: bonds (distance) C4'-P energy: -45.628 bonds (distance) P-C4' energy: -57.124 flat angles C4'-P-C4' energy: -37.687 flat angles P-C4'-P energy: -15.374 tors. eta vs tors. theta energy: 6.952 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: 24 Temperature: 0.900000 Total energy: -918.342916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.342916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.342916 (E_RNA) where: Base-Base interactions energy: -608.857 where: short stacking energy: -285.173 Base-Backbone interact. energy: 1.913 local terms energy: -311.399699 where: bonds (distance) C4'-P energy: -60.221 bonds (distance) P-C4' energy: -56.777 flat angles C4'-P-C4' energy: -67.448 flat angles P-C4'-P energy: -46.420 tors. eta vs tors. theta energy: -80.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -803.166946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.166946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.166946 (E_RNA) where: Base-Base interactions energy: -519.146 where: short stacking energy: -241.089 Base-Backbone interact. energy: 0.887 local terms energy: -284.907698 where: bonds (distance) C4'-P energy: -54.559 bonds (distance) P-C4' energy: -63.585 flat angles C4'-P-C4' energy: -71.052 flat angles P-C4'-P energy: -38.360 tors. eta vs tors. theta energy: -57.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -813.087139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.087139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.087139 (E_RNA) where: Base-Base interactions energy: -526.446 where: short stacking energy: -233.068 Base-Backbone interact. energy: -1.277 local terms energy: -285.363961 where: bonds (distance) C4'-P energy: -45.016 bonds (distance) P-C4' energy: -61.111 flat angles C4'-P-C4' energy: -70.275 flat angles P-C4'-P energy: -43.095 tors. eta vs tors. theta energy: -65.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -726.463035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.463035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.463035 (E_RNA) where: Base-Base interactions energy: -463.642 where: short stacking energy: -196.582 Base-Backbone interact. energy: -1.371 local terms energy: -261.450245 where: bonds (distance) C4'-P energy: -51.713 bonds (distance) P-C4' energy: -64.746 flat angles C4'-P-C4' energy: -64.843 flat angles P-C4'-P energy: -39.852 tors. eta vs tors. theta energy: -40.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -628.971107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.971107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.971107 (E_RNA) where: Base-Base interactions energy: -376.433 where: short stacking energy: -181.750 Base-Backbone interact. energy: -1.483 local terms energy: -251.054880 where: bonds (distance) C4'-P energy: -59.952 bonds (distance) P-C4' energy: -56.337 flat angles C4'-P-C4' energy: -61.541 flat angles P-C4'-P energy: -33.365 tors. eta vs tors. theta energy: -39.860 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: 3 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -472.278213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.278213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.278213 (E_RNA) where: Base-Base interactions energy: -253.311 where: short stacking energy: -136.932 Base-Backbone interact. energy: 3.626 local terms energy: -222.593532 where: bonds (distance) C4'-P energy: -61.029 bonds (distance) P-C4' energy: -61.539 flat angles C4'-P-C4' energy: -54.352 flat angles P-C4'-P energy: -28.855 tors. eta vs tors. theta energy: -16.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -392.876528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.876528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.876528 (E_RNA) where: Base-Base interactions energy: -181.984 where: short stacking energy: -110.181 Base-Backbone interact. energy: 0.518 local terms energy: -211.410009 where: bonds (distance) C4'-P energy: -54.423 bonds (distance) P-C4' energy: -54.037 flat angles C4'-P-C4' energy: -49.283 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: -13.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -332.664179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.664179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.664179 (E_RNA) where: Base-Base interactions energy: -152.134 where: short stacking energy: -117.969 Base-Backbone interact. energy: -1.685 local terms energy: -178.844945 where: bonds (distance) C4'-P energy: -43.682 bonds (distance) P-C4' energy: -54.594 flat angles C4'-P-C4' energy: -38.296 flat angles P-C4'-P energy: -27.604 tors. eta vs tors. theta energy: -14.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -362.276751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.276751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.276751 (E_RNA) where: Base-Base interactions energy: -174.845 where: short stacking energy: -120.307 Base-Backbone interact. energy: -0.951 local terms energy: -186.481046 where: bonds (distance) C4'-P energy: -48.843 bonds (distance) P-C4' energy: -53.639 flat angles C4'-P-C4' energy: -49.376 flat angles P-C4'-P energy: -26.571 tors. eta vs tors. theta energy: -8.052 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: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -264.871827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.871827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.871827 (E_RNA) where: Base-Base interactions energy: -92.235 where: short stacking energy: -71.531 Base-Backbone interact. energy: -0.559 local terms energy: -172.077510 where: bonds (distance) C4'-P energy: -46.040 bonds (distance) P-C4' energy: -56.441 flat angles C4'-P-C4' energy: -41.433 flat angles P-C4'-P energy: -33.152 tors. eta vs tors. theta energy: 4.989 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: 25 Temperature: 0.900000 Total energy: -929.171893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.171893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.171893 (E_RNA) where: Base-Base interactions energy: -611.838 where: short stacking energy: -254.143 Base-Backbone interact. energy: -1.806 local terms energy: -315.527325 where: bonds (distance) C4'-P energy: -69.151 bonds (distance) P-C4' energy: -61.400 flat angles C4'-P-C4' energy: -62.790 flat angles P-C4'-P energy: -45.974 tors. eta vs tors. theta energy: -76.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -821.609987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.609987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.609987 (E_RNA) where: Base-Base interactions energy: -531.941 where: short stacking energy: -238.732 Base-Backbone interact. energy: -1.010 local terms energy: -288.658726 where: bonds (distance) C4'-P energy: -68.268 bonds (distance) P-C4' energy: -54.349 flat angles C4'-P-C4' energy: -64.983 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -59.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -795.664884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.664884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.664884 (E_RNA) where: Base-Base interactions energy: -523.539 where: short stacking energy: -223.116 Base-Backbone interact. energy: -3.093 local terms energy: -269.032942 where: bonds (distance) C4'-P energy: -61.624 bonds (distance) P-C4' energy: -61.772 flat angles C4'-P-C4' energy: -54.633 flat angles P-C4'-P energy: -34.321 tors. eta vs tors. theta energy: -56.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -701.130890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.130890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.130890 (E_RNA) where: Base-Base interactions energy: -439.055 where: short stacking energy: -205.337 Base-Backbone interact. energy: -1.082 local terms energy: -260.993816 where: bonds (distance) C4'-P energy: -51.907 bonds (distance) P-C4' energy: -66.677 flat angles C4'-P-C4' energy: -54.569 flat angles P-C4'-P energy: -43.531 tors. eta vs tors. theta energy: -44.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -588.435652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.435652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.435652 (E_RNA) where: Base-Base interactions energy: -354.424 where: short stacking energy: -187.149 Base-Backbone interact. energy: 1.066 local terms energy: -235.077157 where: bonds (distance) C4'-P energy: -53.162 bonds (distance) P-C4' energy: -65.218 flat angles C4'-P-C4' energy: -51.075 flat angles P-C4'-P energy: -22.713 tors. eta vs tors. theta energy: -42.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -417.952604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952604 (E_RNA) where: Base-Base interactions energy: -216.382 where: short stacking energy: -113.241 Base-Backbone interact. energy: -1.468 local terms energy: -200.102998 where: bonds (distance) C4'-P energy: -57.529 bonds (distance) P-C4' energy: -56.766 flat angles C4'-P-C4' energy: -48.961 flat angles P-C4'-P energy: -33.684 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -396.326056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.326056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.326056 (E_RNA) where: Base-Base interactions energy: -183.888 where: short stacking energy: -101.541 Base-Backbone interact. energy: -1.279 local terms energy: -211.158278 where: bonds (distance) C4'-P energy: -56.094 bonds (distance) P-C4' energy: -60.507 flat angles C4'-P-C4' energy: -58.565 flat angles P-C4'-P energy: -28.903 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -373.937933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.937933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.937933 (E_RNA) where: Base-Base interactions energy: -168.733 where: short stacking energy: -105.474 Base-Backbone interact. energy: -1.616 local terms energy: -203.588495 where: bonds (distance) C4'-P energy: -47.073 bonds (distance) P-C4' energy: -65.770 flat angles C4'-P-C4' energy: -56.368 flat angles P-C4'-P energy: -34.293 tors. eta vs tors. theta energy: -0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -267.246774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.246774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.246774 (E_RNA) where: Base-Base interactions energy: -95.947 where: short stacking energy: -77.827 Base-Backbone interact. energy: 0.614 local terms energy: -171.914179 where: bonds (distance) C4'-P energy: -51.071 bonds (distance) P-C4' energy: -54.167 flat angles C4'-P-C4' energy: -38.482 flat angles P-C4'-P energy: -31.460 tors. eta vs tors. theta energy: 3.266 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: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -269.917059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.917059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.917059 (E_RNA) where: Base-Base interactions energy: -120.637 where: short stacking energy: -88.864 Base-Backbone interact. energy: 1.049 local terms energy: -150.329298 where: bonds (distance) C4'-P energy: -42.893 bonds (distance) P-C4' energy: -49.192 flat angles C4'-P-C4' energy: -52.679 flat angles P-C4'-P energy: -20.943 tors. eta vs tors. theta energy: 15.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -936.554595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.554595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.554595 (E_RNA) where: Base-Base interactions energy: -614.004 where: short stacking energy: -275.453 Base-Backbone interact. energy: 0.006 local terms energy: -322.556209 where: bonds (distance) C4'-P energy: -65.591 bonds (distance) P-C4' energy: -64.219 flat angles C4'-P-C4' energy: -68.539 flat angles P-C4'-P energy: -48.350 tors. eta vs tors. theta energy: -75.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -839.979780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.979780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.979780 (E_RNA) where: Base-Base interactions energy: -529.311 where: short stacking energy: -242.730 Base-Backbone interact. energy: -2.670 local terms energy: -307.998252 where: bonds (distance) C4'-P energy: -64.286 bonds (distance) P-C4' energy: -67.167 flat angles C4'-P-C4' energy: -74.771 flat angles P-C4'-P energy: -37.354 tors. eta vs tors. theta energy: -64.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -810.670183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.670183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.670183 (E_RNA) where: Base-Base interactions energy: -527.332 where: short stacking energy: -218.979 Base-Backbone interact. energy: -0.513 local terms energy: -282.824914 where: bonds (distance) C4'-P energy: -57.694 bonds (distance) P-C4' energy: -71.602 flat angles C4'-P-C4' energy: -64.106 flat angles P-C4'-P energy: -32.558 tors. eta vs tors. theta energy: -56.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -758.393208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.393208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.393208 (E_RNA) where: Base-Base interactions energy: -471.420 where: short stacking energy: -232.930 Base-Backbone interact. energy: -1.219 local terms energy: -285.754106 where: bonds (distance) C4'-P energy: -57.897 bonds (distance) P-C4' energy: -62.466 flat angles C4'-P-C4' energy: -61.888 flat angles P-C4'-P energy: -36.242 tors. eta vs tors. theta energy: -67.260 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: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -580.484049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.484049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.484049 (E_RNA) where: Base-Base interactions energy: -333.066 where: short stacking energy: -170.502 Base-Backbone interact. energy: 2.164 local terms energy: -249.581913 where: bonds (distance) C4'-P energy: -55.884 bonds (distance) P-C4' energy: -54.694 flat angles C4'-P-C4' energy: -62.646 flat angles P-C4'-P energy: -40.598 tors. eta vs tors. theta energy: -35.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -444.005816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.005816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.005816 (E_RNA) where: Base-Base interactions energy: -216.316 where: short stacking energy: -130.881 Base-Backbone interact. energy: 0.892 local terms energy: -228.582420 where: bonds (distance) C4'-P energy: -59.824 bonds (distance) P-C4' energy: -68.585 flat angles C4'-P-C4' energy: -55.541 flat angles P-C4'-P energy: -33.564 tors. eta vs tors. theta energy: -11.069 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: 7, replica: 4 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -439.463344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.463344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.463344 (E_RNA) where: Base-Base interactions energy: -216.547 where: short stacking energy: -121.692 Base-Backbone interact. energy: -2.195 local terms energy: -220.720535 where: bonds (distance) C4'-P energy: -60.965 bonds (distance) P-C4' energy: -58.855 flat angles C4'-P-C4' energy: -53.949 flat angles P-C4'-P energy: -35.028 tors. eta vs tors. theta energy: -11.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -411.675101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.675101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.675101 (E_RNA) where: Base-Base interactions energy: -199.665 where: short stacking energy: -109.430 Base-Backbone interact. energy: 1.045 local terms energy: -213.055829 where: bonds (distance) C4'-P energy: -59.786 bonds (distance) P-C4' energy: -57.543 flat angles C4'-P-C4' energy: -54.936 flat angles P-C4'-P energy: -29.428 tors. eta vs tors. theta energy: -11.363 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: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -319.193903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.193903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.193903 (E_RNA) where: Base-Base interactions energy: -133.669 where: short stacking energy: -88.505 Base-Backbone interact. energy: -0.231 local terms energy: -185.294041 where: bonds (distance) C4'-P energy: -50.817 bonds (distance) P-C4' energy: -53.047 flat angles C4'-P-C4' energy: -53.327 flat angles P-C4'-P energy: -32.777 tors. eta vs tors. theta energy: 4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -253.150682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.150682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.150682 (E_RNA) where: Base-Base interactions energy: -83.971 where: short stacking energy: -81.699 Base-Backbone interact. energy: -0.229 local terms energy: -168.950684 where: bonds (distance) C4'-P energy: -42.143 bonds (distance) P-C4' energy: -51.183 flat angles C4'-P-C4' energy: -52.285 flat angles P-C4'-P energy: -25.759 tors. eta vs tors. theta energy: 2.418 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: 1, replica: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -936.420635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.420635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.420635 (E_RNA) where: Base-Base interactions energy: -627.134 where: short stacking energy: -275.272 Base-Backbone interact. energy: -5.136 local terms energy: -304.151135 where: bonds (distance) C4'-P energy: -61.999 bonds (distance) P-C4' energy: -65.957 flat angles C4'-P-C4' energy: -60.742 flat angles P-C4'-P energy: -46.301 tors. eta vs tors. theta energy: -69.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -828.255905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.255905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.255905 (E_RNA) where: Base-Base interactions energy: -529.039 where: short stacking energy: -251.184 Base-Backbone interact. energy: -3.212 local terms energy: -296.004809 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -60.189 flat angles C4'-P-C4' energy: -69.614 flat angles P-C4'-P energy: -39.681 tors. eta vs tors. theta energy: -70.582 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: 3, replica: 10 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -856.978508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.978508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.978508 (E_RNA) where: Base-Base interactions energy: -552.062 where: short stacking energy: -244.770 Base-Backbone interact. energy: -1.363 local terms energy: -303.553588 where: bonds (distance) C4'-P energy: -60.697 bonds (distance) P-C4' energy: -57.257 flat angles C4'-P-C4' energy: -69.282 flat angles P-C4'-P energy: -41.073 tors. eta vs tors. theta energy: -75.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -751.569286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.569286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.569286 (E_RNA) where: Base-Base interactions energy: -457.662 where: short stacking energy: -216.190 Base-Backbone interact. energy: -0.776 local terms energy: -293.131552 where: bonds (distance) C4'-P energy: -57.368 bonds (distance) P-C4' energy: -58.602 flat angles C4'-P-C4' energy: -77.542 flat angles P-C4'-P energy: -51.002 tors. eta vs tors. theta energy: -48.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -565.851340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.851340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.851340 (E_RNA) where: Base-Base interactions energy: -326.785 where: short stacking energy: -149.486 Base-Backbone interact. energy: 0.335 local terms energy: -239.401070 where: bonds (distance) C4'-P energy: -57.449 bonds (distance) P-C4' energy: -62.776 flat angles C4'-P-C4' energy: -45.302 flat angles P-C4'-P energy: -38.907 tors. eta vs tors. theta energy: -34.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -442.998603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.998603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.998603 (E_RNA) where: Base-Base interactions energy: -245.315 where: short stacking energy: -125.800 Base-Backbone interact. energy: 3.858 local terms energy: -201.542039 where: bonds (distance) C4'-P energy: -61.872 bonds (distance) P-C4' energy: -57.589 flat angles C4'-P-C4' energy: -50.978 flat angles P-C4'-P energy: -24.372 tors. eta vs tors. theta energy: -6.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -387.883869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.883869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.883869 (E_RNA) where: Base-Base interactions energy: -185.164 where: short stacking energy: -118.007 Base-Backbone interact. energy: 0.668 local terms energy: -203.388774 where: bonds (distance) C4'-P energy: -53.537 bonds (distance) P-C4' energy: -57.388 flat angles C4'-P-C4' energy: -49.972 flat angles P-C4'-P energy: -28.866 tors. eta vs tors. theta energy: -13.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -421.594279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.594279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.594279 (E_RNA) where: Base-Base interactions energy: -226.418 where: short stacking energy: -124.300 Base-Backbone interact. energy: -1.545 local terms energy: -193.631723 where: bonds (distance) C4'-P energy: -50.293 bonds (distance) P-C4' energy: -54.302 flat angles C4'-P-C4' energy: -44.808 flat angles P-C4'-P energy: -20.235 tors. eta vs tors. theta energy: -23.994 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: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -337.165346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.165346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.165346 (E_RNA) where: Base-Base interactions energy: -141.450 where: short stacking energy: -90.485 Base-Backbone interact. energy: -0.028 local terms energy: -195.687559 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -54.893 flat angles C4'-P-C4' energy: -48.061 flat angles P-C4'-P energy: -26.684 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -266.282063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.282063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.282063 (E_RNA) where: Base-Base interactions energy: -85.469 where: short stacking energy: -76.927 Base-Backbone interact. energy: 1.424 local terms energy: -182.237574 where: bonds (distance) C4'-P energy: -46.065 bonds (distance) P-C4' energy: -50.648 flat angles C4'-P-C4' energy: -58.828 flat angles P-C4'-P energy: -21.558 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -940.840448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.840448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.840448 (E_RNA) where: Base-Base interactions energy: -635.587 where: short stacking energy: -269.612 Base-Backbone interact. energy: -0.614 local terms energy: -304.639775 where: bonds (distance) C4'-P energy: -65.353 bonds (distance) P-C4' energy: -61.183 flat angles C4'-P-C4' energy: -59.019 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -74.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -834.685593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.685593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.685593 (E_RNA) where: Base-Base interactions energy: -528.234 where: short stacking energy: -236.953 Base-Backbone interact. energy: -1.846 local terms energy: -304.605392 where: bonds (distance) C4'-P energy: -60.898 bonds (distance) P-C4' energy: -70.010 flat angles C4'-P-C4' energy: -72.728 flat angles P-C4'-P energy: -36.935 tors. eta vs tors. theta energy: -64.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -833.161128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.161128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.161128 (E_RNA) where: Base-Base interactions energy: -533.760 where: short stacking energy: -253.675 Base-Backbone interact. energy: -0.084 local terms energy: -299.317213 where: bonds (distance) C4'-P energy: -48.544 bonds (distance) P-C4' energy: -62.367 flat angles C4'-P-C4' energy: -65.561 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -72.671 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: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -773.055446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.055446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.055446 (E_RNA) where: Base-Base interactions energy: -472.934 where: short stacking energy: -225.904 Base-Backbone interact. energy: -0.854 local terms energy: -299.266569 where: bonds (distance) C4'-P energy: -65.231 bonds (distance) P-C4' energy: -66.778 flat angles C4'-P-C4' energy: -57.579 flat angles P-C4'-P energy: -45.258 tors. eta vs tors. theta energy: -64.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -572.013879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.013879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.013879 (E_RNA) where: Base-Base interactions energy: -329.873 where: short stacking energy: -165.932 Base-Backbone interact. energy: -3.386 local terms energy: -238.755176 where: bonds (distance) C4'-P energy: -54.495 bonds (distance) P-C4' energy: -57.613 flat angles C4'-P-C4' energy: -60.790 flat angles P-C4'-P energy: -39.943 tors. eta vs tors. theta energy: -25.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -423.625726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.625726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.625726 (E_RNA) where: Base-Base interactions energy: -191.085 where: short stacking energy: -114.512 Base-Backbone interact. energy: -2.748 local terms energy: -229.792984 where: bonds (distance) C4'-P energy: -57.832 bonds (distance) P-C4' energy: -66.497 flat angles C4'-P-C4' energy: -57.343 flat angles P-C4'-P energy: -29.409 tors. eta vs tors. theta energy: -18.712 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: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -507.733418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.733418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.733418 (E_RNA) where: Base-Base interactions energy: -303.499 where: short stacking energy: -145.406 Base-Backbone interact. energy: 5.996 local terms energy: -210.230535 where: bonds (distance) C4'-P energy: -45.491 bonds (distance) P-C4' energy: -53.901 flat angles C4'-P-C4' energy: -56.429 flat angles P-C4'-P energy: -34.871 tors. eta vs tors. theta energy: -19.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -383.984685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.984685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.984685 (E_RNA) where: Base-Base interactions energy: -166.126 where: short stacking energy: -98.361 Base-Backbone interact. energy: -2.170 local terms energy: -215.688211 where: bonds (distance) C4'-P energy: -50.558 bonds (distance) P-C4' energy: -64.479 flat angles C4'-P-C4' energy: -52.875 flat angles P-C4'-P energy: -31.621 tors. eta vs tors. theta energy: -16.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -285.366006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.366006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.366006 (E_RNA) where: Base-Base interactions energy: -104.998 where: short stacking energy: -80.604 Base-Backbone interact. energy: -1.364 local terms energy: -179.004260 where: bonds (distance) C4'-P energy: -52.788 bonds (distance) P-C4' energy: -59.616 flat angles C4'-P-C4' energy: -46.758 flat angles P-C4'-P energy: -29.923 tors. eta vs tors. theta energy: 10.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -262.962481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.962481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.962481 (E_RNA) where: Base-Base interactions energy: -95.508 where: short stacking energy: -65.967 Base-Backbone interact. energy: -0.569 local terms energy: -166.885759 where: bonds (distance) C4'-P energy: -57.849 bonds (distance) P-C4' energy: -44.883 flat angles C4'-P-C4' energy: -38.457 flat angles P-C4'-P energy: -36.414 tors. eta vs tors. theta energy: 10.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -949.855019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.855019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.855019 (E_RNA) where: Base-Base interactions energy: -625.141 where: short stacking energy: -273.977 Base-Backbone interact. energy: -2.528 local terms energy: -322.186311 where: bonds (distance) C4'-P energy: -66.787 bonds (distance) P-C4' energy: -61.825 flat angles C4'-P-C4' energy: -67.635 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: -80.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -823.957957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.957957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.957957 (E_RNA) where: Base-Base interactions energy: -520.029 where: short stacking energy: -241.731 Base-Backbone interact. energy: -2.687 local terms energy: -301.241437 where: bonds (distance) C4'-P energy: -65.173 bonds (distance) P-C4' energy: -66.356 flat angles C4'-P-C4' energy: -69.279 flat angles P-C4'-P energy: -40.039 tors. eta vs tors. theta energy: -60.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -831.508593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.508593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.508593 (E_RNA) where: Base-Base interactions energy: -539.032 where: short stacking energy: -230.544 Base-Backbone interact. energy: -0.169 local terms energy: -292.307213 where: bonds (distance) C4'-P energy: -54.562 bonds (distance) P-C4' energy: -64.113 flat angles C4'-P-C4' energy: -64.547 flat angles P-C4'-P energy: -45.377 tors. eta vs tors. theta energy: -63.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -781.800363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.800363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.800363 (E_RNA) where: Base-Base interactions energy: -509.596 where: short stacking energy: -226.708 Base-Backbone interact. energy: -3.130 local terms energy: -269.074037 where: bonds (distance) C4'-P energy: -53.434 bonds (distance) P-C4' energy: -53.834 flat angles C4'-P-C4' energy: -64.794 flat angles P-C4'-P energy: -35.193 tors. eta vs tors. theta energy: -61.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -654.856271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.856271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.856271 (E_RNA) where: Base-Base interactions energy: -372.767 where: short stacking energy: -193.992 Base-Backbone interact. energy: 0.307 local terms energy: -282.396324 where: bonds (distance) C4'-P energy: -53.193 bonds (distance) P-C4' energy: -71.930 flat angles C4'-P-C4' energy: -70.484 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -47.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -591.340098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.340098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.340098 (E_RNA) where: Base-Base interactions energy: -351.207 where: short stacking energy: -169.231 Base-Backbone interact. energy: 0.018 local terms energy: -240.151058 where: bonds (distance) C4'-P energy: -45.546 bonds (distance) P-C4' energy: -58.126 flat angles C4'-P-C4' energy: -57.367 flat angles P-C4'-P energy: -31.523 tors. eta vs tors. theta energy: -47.589 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: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -405.977693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.977693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.977693 (E_RNA) where: Base-Base interactions energy: -175.259 where: short stacking energy: -113.993 Base-Backbone interact. energy: -0.696 local terms energy: -230.023032 where: bonds (distance) C4'-P energy: -54.188 bonds (distance) P-C4' energy: -62.277 flat angles C4'-P-C4' energy: -49.270 flat angles P-C4'-P energy: -37.226 tors. eta vs tors. theta energy: -27.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -296.114218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.114218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.114218 (E_RNA) where: Base-Base interactions energy: -115.928 where: short stacking energy: -88.927 Base-Backbone interact. energy: 1.121 local terms energy: -181.307938 where: bonds (distance) C4'-P energy: -51.157 bonds (distance) P-C4' energy: -55.346 flat angles C4'-P-C4' energy: -39.348 flat angles P-C4'-P energy: -34.801 tors. eta vs tors. theta energy: -0.656 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: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -319.417306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.417306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.417306 (E_RNA) where: Base-Base interactions energy: -142.317 where: short stacking energy: -83.026 Base-Backbone interact. energy: 0.050 local terms energy: -177.149730 where: bonds (distance) C4'-P energy: -45.584 bonds (distance) P-C4' energy: -55.934 flat angles C4'-P-C4' energy: -57.538 flat angles P-C4'-P energy: -23.441 tors. eta vs tors. theta energy: 5.347 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: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -272.313153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.313153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.313153 (E_RNA) where: Base-Base interactions energy: -101.827 where: short stacking energy: -61.590 Base-Backbone interact. energy: 2.929 local terms energy: -173.415347 where: bonds (distance) C4'-P energy: -46.815 bonds (distance) P-C4' energy: -60.988 flat angles C4'-P-C4' energy: -41.829 flat angles P-C4'-P energy: -25.684 tors. eta vs tors. theta energy: 1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -937.037489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.037489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.037489 (E_RNA) where: Base-Base interactions energy: -617.478 where: short stacking energy: -268.785 Base-Backbone interact. energy: 2.059 local terms energy: -321.618678 where: bonds (distance) C4'-P energy: -64.839 bonds (distance) P-C4' energy: -63.707 flat angles C4'-P-C4' energy: -59.913 flat angles P-C4'-P energy: -52.296 tors. eta vs tors. theta energy: -80.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -864.471365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.471365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.471365 (E_RNA) where: Base-Base interactions energy: -552.383 where: short stacking energy: -254.249 Base-Backbone interact. energy: -0.783 local terms energy: -311.305823 where: bonds (distance) C4'-P energy: -64.040 bonds (distance) P-C4' energy: -65.854 flat angles C4'-P-C4' energy: -65.706 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: -73.140 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: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -824.470006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.470006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.470006 (E_RNA) where: Base-Base interactions energy: -550.612 where: short stacking energy: -227.884 Base-Backbone interact. energy: -0.398 local terms energy: -273.459376 where: bonds (distance) C4'-P energy: -52.994 bonds (distance) P-C4' energy: -67.470 flat angles C4'-P-C4' energy: -54.960 flat angles P-C4'-P energy: -35.973 tors. eta vs tors. theta energy: -62.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -786.585378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.585378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.585378 (E_RNA) where: Base-Base interactions energy: -500.262 where: short stacking energy: -228.394 Base-Backbone interact. energy: -1.206 local terms energy: -285.117785 where: bonds (distance) C4'-P energy: -48.128 bonds (distance) P-C4' energy: -67.299 flat angles C4'-P-C4' energy: -68.944 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: -57.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -680.661903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.661903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.661903 (E_RNA) where: Base-Base interactions energy: -402.711 where: short stacking energy: -227.527 Base-Backbone interact. energy: -1.136 local terms energy: -276.815225 where: bonds (distance) C4'-P energy: -36.457 bonds (distance) P-C4' energy: -61.357 flat angles C4'-P-C4' energy: -66.162 flat angles P-C4'-P energy: -44.343 tors. eta vs tors. theta energy: -68.496 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: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -590.026822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.026822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.026822 (E_RNA) where: Base-Base interactions energy: -362.062 where: short stacking energy: -171.516 Base-Backbone interact. energy: -1.174 local terms energy: -226.790653 where: bonds (distance) C4'-P energy: -38.908 bonds (distance) P-C4' energy: -52.770 flat angles C4'-P-C4' energy: -70.190 flat angles P-C4'-P energy: -35.932 tors. eta vs tors. theta energy: -28.990 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: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -409.090201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.090201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.090201 (E_RNA) where: Base-Base interactions energy: -205.298 where: short stacking energy: -132.608 Base-Backbone interact. energy: -0.663 local terms energy: -203.129237 where: bonds (distance) C4'-P energy: -57.808 bonds (distance) P-C4' energy: -57.511 flat angles C4'-P-C4' energy: -45.726 flat angles P-C4'-P energy: -30.499 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: 8, replica: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -311.328954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.328954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.328954 (E_RNA) where: Base-Base interactions energy: -99.090 where: short stacking energy: -91.064 Base-Backbone interact. energy: 1.049 local terms energy: -213.287966 where: bonds (distance) C4'-P energy: -63.481 bonds (distance) P-C4' energy: -70.386 flat angles C4'-P-C4' energy: -50.087 flat angles P-C4'-P energy: -30.269 tors. eta vs tors. theta energy: 0.934 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: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -333.136261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.136261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.136261 (E_RNA) where: Base-Base interactions energy: -142.744 where: short stacking energy: -95.103 Base-Backbone interact. energy: -2.022 local terms energy: -188.370407 where: bonds (distance) C4'-P energy: -54.209 bonds (distance) P-C4' energy: -52.713 flat angles C4'-P-C4' energy: -44.759 flat angles P-C4'-P energy: -37.385 tors. eta vs tors. theta energy: 0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -272.765116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.765116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.765116 (E_RNA) where: Base-Base interactions energy: -121.118 where: short stacking energy: -73.605 Base-Backbone interact. energy: 1.034 local terms energy: -152.681242 where: bonds (distance) C4'-P energy: -46.544 bonds (distance) P-C4' energy: -47.890 flat angles C4'-P-C4' energy: -41.704 flat angles P-C4'-P energy: -24.225 tors. eta vs tors. theta energy: 7.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -926.434718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.434718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.434718 (E_RNA) where: Base-Base interactions energy: -631.767 where: short stacking energy: -272.683 Base-Backbone interact. energy: 1.035 local terms energy: -295.702402 where: bonds (distance) C4'-P energy: -56.094 bonds (distance) P-C4' energy: -58.758 flat angles C4'-P-C4' energy: -55.665 flat angles P-C4'-P energy: -49.757 tors. eta vs tors. theta energy: -75.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -859.271667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.271667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.271667 (E_RNA) where: Base-Base interactions energy: -548.717 where: short stacking energy: -243.896 Base-Backbone interact. energy: -2.343 local terms energy: -308.211619 where: bonds (distance) C4'-P energy: -64.126 bonds (distance) P-C4' energy: -61.111 flat angles C4'-P-C4' energy: -66.379 flat angles P-C4'-P energy: -49.571 tors. eta vs tors. theta energy: -67.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -823.048088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.048088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.048088 (E_RNA) where: Base-Base interactions energy: -529.116 where: short stacking energy: -245.356 Base-Backbone interact. energy: -0.141 local terms energy: -293.791744 where: bonds (distance) C4'-P energy: -48.979 bonds (distance) P-C4' energy: -64.445 flat angles C4'-P-C4' energy: -66.269 flat angles P-C4'-P energy: -39.445 tors. eta vs tors. theta energy: -74.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -764.048578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.048578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.048578 (E_RNA) where: Base-Base interactions energy: -488.042 where: short stacking energy: -237.004 Base-Backbone interact. energy: -0.561 local terms energy: -275.445678 where: bonds (distance) C4'-P energy: -57.126 bonds (distance) P-C4' energy: -61.244 flat angles C4'-P-C4' energy: -61.763 flat angles P-C4'-P energy: -35.897 tors. eta vs tors. theta energy: -59.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -616.178568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.178568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.178568 (E_RNA) where: Base-Base interactions energy: -356.925 where: short stacking energy: -193.039 Base-Backbone interact. energy: -0.225 local terms energy: -259.028005 where: bonds (distance) C4'-P energy: -62.499 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -57.270 flat angles P-C4'-P energy: -28.109 tors. eta vs tors. theta energy: -50.520 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: 31 Temperature: 1.150000 Total energy: -579.242206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.242206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.242206 (E_RNA) where: Base-Base interactions energy: -333.184 where: short stacking energy: -161.240 Base-Backbone interact. energy: -0.528 local terms energy: -245.529618 where: bonds (distance) C4'-P energy: -52.509 bonds (distance) P-C4' energy: -62.886 flat angles C4'-P-C4' energy: -55.532 flat angles P-C4'-P energy: -29.287 tors. eta vs tors. theta energy: -45.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -438.771969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.771969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.771969 (E_RNA) where: Base-Base interactions energy: -230.070 where: short stacking energy: -121.694 Base-Backbone interact. energy: -0.803 local terms energy: -207.899223 where: bonds (distance) C4'-P energy: -62.505 bonds (distance) P-C4' energy: -63.808 flat angles C4'-P-C4' energy: -44.703 flat angles P-C4'-P energy: -28.160 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -385.037662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.037662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.037662 (E_RNA) where: Base-Base interactions energy: -178.226 where: short stacking energy: -96.300 Base-Backbone interact. energy: -0.088 local terms energy: -206.723976 where: bonds (distance) C4'-P energy: -57.415 bonds (distance) P-C4' energy: -52.728 flat angles C4'-P-C4' energy: -56.835 flat angles P-C4'-P energy: -33.881 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -296.130173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.130173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.130173 (E_RNA) where: Base-Base interactions energy: -121.044 where: short stacking energy: -83.205 Base-Backbone interact. energy: -1.656 local terms energy: -173.430316 where: bonds (distance) C4'-P energy: -46.917 bonds (distance) P-C4' energy: -49.370 flat angles C4'-P-C4' energy: -52.436 flat angles P-C4'-P energy: -32.496 tors. eta vs tors. theta energy: 7.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -245.753448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.753448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.753448 (E_RNA) where: Base-Base interactions energy: -67.598 where: short stacking energy: -45.484 Base-Backbone interact. energy: -1.167 local terms energy: -176.989190 where: bonds (distance) C4'-P energy: -53.923 bonds (distance) P-C4' energy: -58.597 flat angles C4'-P-C4' energy: -51.239 flat angles P-C4'-P energy: -26.708 tors. eta vs tors. theta energy: 13.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -961.649425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.649425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.649425 (E_RNA) where: Base-Base interactions energy: -640.538 where: short stacking energy: -277.422 Base-Backbone interact. energy: 1.056 local terms energy: -322.167567 where: bonds (distance) C4'-P energy: -69.045 bonds (distance) P-C4' energy: -66.326 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -46.666 tors. eta vs tors. theta energy: -75.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -858.137328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.137328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.137328 (E_RNA) where: Base-Base interactions energy: -556.770 where: short stacking energy: -246.072 Base-Backbone interact. energy: -1.231 local terms energy: -300.136266 where: bonds (distance) C4'-P energy: -64.256 bonds (distance) P-C4' energy: -63.591 flat angles C4'-P-C4' energy: -66.193 flat angles P-C4'-P energy: -38.974 tors. eta vs tors. theta energy: -67.122 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: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -804.675872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.675872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.675872 (E_RNA) where: Base-Base interactions energy: -503.288 where: short stacking energy: -225.262 Base-Backbone interact. energy: -2.918 local terms energy: -298.469835 where: bonds (distance) C4'-P energy: -63.507 bonds (distance) P-C4' energy: -68.781 flat angles C4'-P-C4' energy: -64.198 flat angles P-C4'-P energy: -36.050 tors. eta vs tors. theta energy: -65.934 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: 5 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -773.148140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.148140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.148140 (E_RNA) where: Base-Base interactions energy: -479.800 where: short stacking energy: -214.919 Base-Backbone interact. energy: -1.396 local terms energy: -291.951187 where: bonds (distance) C4'-P energy: -65.478 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -71.901 flat angles P-C4'-P energy: -37.139 tors. eta vs tors. theta energy: -56.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -608.663230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.663230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.663230 (E_RNA) where: Base-Base interactions energy: -341.531 where: short stacking energy: -189.199 Base-Backbone interact. energy: 0.857 local terms energy: -267.989287 where: bonds (distance) C4'-P energy: -57.003 bonds (distance) P-C4' energy: -69.847 flat angles C4'-P-C4' energy: -52.421 flat angles P-C4'-P energy: -39.242 tors. eta vs tors. theta energy: -49.477 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: 8 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -568.553084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.553084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.553084 (E_RNA) where: Base-Base interactions energy: -330.687 where: short stacking energy: -155.040 Base-Backbone interact. energy: 2.103 local terms energy: -239.968650 where: bonds (distance) C4'-P energy: -62.120 bonds (distance) P-C4' energy: -70.135 flat angles C4'-P-C4' energy: -43.193 flat angles P-C4'-P energy: -39.166 tors. eta vs tors. theta energy: -25.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -457.804714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.804714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.804714 (E_RNA) where: Base-Base interactions energy: -253.451 where: short stacking energy: -109.843 Base-Backbone interact. energy: -1.153 local terms energy: -203.200942 where: bonds (distance) C4'-P energy: -53.227 bonds (distance) P-C4' energy: -51.998 flat angles C4'-P-C4' energy: -50.223 flat angles P-C4'-P energy: -38.015 tors. eta vs tors. theta energy: -9.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -419.505990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.505990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.505990 (E_RNA) where: Base-Base interactions energy: -200.732 where: short stacking energy: -96.446 Base-Backbone interact. energy: 0.985 local terms energy: -219.759523 where: bonds (distance) C4'-P energy: -63.449 bonds (distance) P-C4' energy: -71.157 flat angles C4'-P-C4' energy: -48.157 flat angles P-C4'-P energy: -34.303 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -280.640714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.640714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.640714 (E_RNA) where: Base-Base interactions energy: -82.427 where: short stacking energy: -68.890 Base-Backbone interact. energy: 4.517 local terms energy: -202.730838 where: bonds (distance) C4'-P energy: -63.789 bonds (distance) P-C4' energy: -61.066 flat angles C4'-P-C4' energy: -46.159 flat angles P-C4'-P energy: -25.864 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -244.660552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.660552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.660552 (E_RNA) where: Base-Base interactions energy: -84.113 where: short stacking energy: -62.981 Base-Backbone interact. energy: -0.939 local terms energy: -159.608423 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -50.018 flat angles C4'-P-C4' energy: -43.240 flat angles P-C4'-P energy: -21.016 tors. eta vs tors. theta energy: 11.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -990.522964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.522964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.522964 (E_RNA) where: Base-Base interactions energy: -662.182 where: short stacking energy: -283.370 Base-Backbone interact. energy: -1.629 local terms energy: -326.712364 where: bonds (distance) C4'-P energy: -61.246 bonds (distance) P-C4' energy: -64.431 flat angles C4'-P-C4' energy: -68.927 flat angles P-C4'-P energy: -50.906 tors. eta vs tors. theta energy: -81.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -837.468299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.468299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.468299 (E_RNA) where: Base-Base interactions energy: -535.561 where: short stacking energy: -241.477 Base-Backbone interact. energy: -0.766 local terms energy: -301.141612 where: bonds (distance) C4'-P energy: -58.002 bonds (distance) P-C4' energy: -68.503 flat angles C4'-P-C4' energy: -71.379 flat angles P-C4'-P energy: -37.154 tors. eta vs tors. theta energy: -66.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -752.736686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.736686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.736686 (E_RNA) where: Base-Base interactions energy: -470.811 where: short stacking energy: -205.471 Base-Backbone interact. energy: 0.093 local terms energy: -282.018267 where: bonds (distance) C4'-P energy: -71.353 bonds (distance) P-C4' energy: -63.193 flat angles C4'-P-C4' energy: -59.162 flat angles P-C4'-P energy: -35.846 tors. eta vs tors. theta energy: -52.465 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: 4, replica: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -833.419833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.419833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.419833 (E_RNA) where: Base-Base interactions energy: -536.825 where: short stacking energy: -242.355 Base-Backbone interact. energy: -0.114 local terms energy: -296.480848 where: bonds (distance) C4'-P energy: -64.310 bonds (distance) P-C4' energy: -54.074 flat angles C4'-P-C4' energy: -72.263 flat angles P-C4'-P energy: -36.500 tors. eta vs tors. theta energy: -69.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -624.024753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.024753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.024753 (E_RNA) where: Base-Base interactions energy: -372.745 where: short stacking energy: -186.763 Base-Backbone interact. energy: -1.189 local terms energy: -250.090784 where: bonds (distance) C4'-P energy: -52.005 bonds (distance) P-C4' energy: -58.511 flat angles C4'-P-C4' energy: -54.896 flat angles P-C4'-P energy: -35.153 tors. eta vs tors. theta energy: -49.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -590.746355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.746355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.746355 (E_RNA) where: Base-Base interactions energy: -374.029 where: short stacking energy: -181.784 Base-Backbone interact. energy: 1.916 local terms energy: -218.633912 where: bonds (distance) C4'-P energy: -38.055 bonds (distance) P-C4' energy: -58.272 flat angles C4'-P-C4' energy: -55.798 flat angles P-C4'-P energy: -31.731 tors. eta vs tors. theta energy: -34.778 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: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -508.168924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.168924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.168924 (E_RNA) where: Base-Base interactions energy: -286.562 where: short stacking energy: -127.180 Base-Backbone interact. energy: 1.676 local terms energy: -223.283063 where: bonds (distance) C4'-P energy: -65.261 bonds (distance) P-C4' energy: -54.903 flat angles C4'-P-C4' energy: -48.251 flat angles P-C4'-P energy: -35.366 tors. eta vs tors. theta energy: -19.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -422.894490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.894490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.894490 (E_RNA) where: Base-Base interactions energy: -226.165 where: short stacking energy: -134.408 Base-Backbone interact. energy: -1.700 local terms energy: -195.028884 where: bonds (distance) C4'-P energy: -48.216 bonds (distance) P-C4' energy: -53.637 flat angles C4'-P-C4' energy: -48.899 flat angles P-C4'-P energy: -37.166 tors. eta vs tors. theta energy: -7.112 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: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -312.161869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.161869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.161869 (E_RNA) where: Base-Base interactions energy: -118.123 where: short stacking energy: -81.631 Base-Backbone interact. energy: -0.322 local terms energy: -193.717058 where: bonds (distance) C4'-P energy: -58.130 bonds (distance) P-C4' energy: -63.636 flat angles C4'-P-C4' energy: -39.523 flat angles P-C4'-P energy: -29.714 tors. eta vs tors. theta energy: -2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -278.184892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.184892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.184892 (E_RNA) where: Base-Base interactions energy: -91.560 where: short stacking energy: -71.823 Base-Backbone interact. energy: -0.838 local terms energy: -185.787536 where: bonds (distance) C4'-P energy: -56.464 bonds (distance) P-C4' energy: -61.388 flat angles C4'-P-C4' energy: -46.965 flat angles P-C4'-P energy: -21.619 tors. eta vs tors. theta energy: 0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -985.367355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.367355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.367355 (E_RNA) where: Base-Base interactions energy: -660.413 where: short stacking energy: -267.738 Base-Backbone interact. energy: -2.483 local terms energy: -322.471448 where: bonds (distance) C4'-P energy: -61.690 bonds (distance) P-C4' energy: -62.067 flat angles C4'-P-C4' energy: -66.981 flat angles P-C4'-P energy: -51.417 tors. eta vs tors. theta energy: -80.315 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: 10 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -886.631071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.631071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.631071 (E_RNA) where: Base-Base interactions energy: -582.093 where: short stacking energy: -268.172 Base-Backbone interact. energy: -1.165 local terms energy: -303.372327 where: bonds (distance) C4'-P energy: -61.075 bonds (distance) P-C4' energy: -69.125 flat angles C4'-P-C4' energy: -61.093 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -74.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -874.262897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.262897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.262897 (E_RNA) where: Base-Base interactions energy: -555.863 where: short stacking energy: -273.855 Base-Backbone interact. energy: 1.612 local terms energy: -320.012121 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -58.749 flat angles C4'-P-C4' energy: -67.974 flat angles P-C4'-P energy: -45.387 tors. eta vs tors. theta energy: -81.297 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: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -730.199185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.199185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.199185 (E_RNA) where: Base-Base interactions energy: -462.680 where: short stacking energy: -207.792 Base-Backbone interact. energy: -1.085 local terms energy: -266.434223 where: bonds (distance) C4'-P energy: -59.928 bonds (distance) P-C4' energy: -65.647 flat angles C4'-P-C4' energy: -53.000 flat angles P-C4'-P energy: -34.545 tors. eta vs tors. theta energy: -53.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -609.671340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.671340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.671340 (E_RNA) where: Base-Base interactions energy: -374.107 where: short stacking energy: -179.891 Base-Backbone interact. energy: -2.812 local terms energy: -232.752248 where: bonds (distance) C4'-P energy: -47.260 bonds (distance) P-C4' energy: -58.996 flat angles C4'-P-C4' energy: -55.425 flat angles P-C4'-P energy: -34.252 tors. eta vs tors. theta energy: -36.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -573.406895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.406895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.406895 (E_RNA) where: Base-Base interactions energy: -336.686 where: short stacking energy: -158.720 Base-Backbone interact. energy: -0.396 local terms energy: -236.324517 where: bonds (distance) C4'-P energy: -46.134 bonds (distance) P-C4' energy: -55.146 flat angles C4'-P-C4' energy: -57.049 flat angles P-C4'-P energy: -42.333 tors. eta vs tors. theta energy: -35.662 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: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -455.581280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.581280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.581280 (E_RNA) where: Base-Base interactions energy: -239.115 where: short stacking energy: -115.303 Base-Backbone interact. energy: -1.102 local terms energy: -215.364436 where: bonds (distance) C4'-P energy: -61.704 bonds (distance) P-C4' energy: -49.195 flat angles C4'-P-C4' energy: -61.661 flat angles P-C4'-P energy: -32.388 tors. eta vs tors. theta energy: -10.416 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: 3 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -425.987305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.987305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.987305 (E_RNA) where: Base-Base interactions energy: -216.273 where: short stacking energy: -123.328 Base-Backbone interact. energy: 1.915 local terms energy: -211.629837 where: bonds (distance) C4'-P energy: -53.018 bonds (distance) P-C4' energy: -57.718 flat angles C4'-P-C4' energy: -42.541 flat angles P-C4'-P energy: -27.381 tors. eta vs tors. theta energy: -30.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -289.872986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.872986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.872986 (E_RNA) where: Base-Base interactions energy: -106.846 where: short stacking energy: -90.877 Base-Backbone interact. energy: -0.584 local terms energy: -182.442610 where: bonds (distance) C4'-P energy: -48.354 bonds (distance) P-C4' energy: -58.651 flat angles C4'-P-C4' energy: -39.054 flat angles P-C4'-P energy: -27.820 tors. eta vs tors. theta energy: -8.563 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: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -262.321253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.321253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.321253 (E_RNA) where: Base-Base interactions energy: -107.020 where: short stacking energy: -84.263 Base-Backbone interact. energy: 0.404 local terms energy: -155.705440 where: bonds (distance) C4'-P energy: -43.337 bonds (distance) P-C4' energy: -46.611 flat angles C4'-P-C4' energy: -28.918 flat angles P-C4'-P energy: -35.787 tors. eta vs tors. theta energy: -1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -976.424805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.424805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.424805 (E_RNA) where: Base-Base interactions energy: -650.365 where: short stacking energy: -269.403 Base-Backbone interact. energy: -0.596 local terms energy: -325.463659 where: bonds (distance) C4'-P energy: -67.879 bonds (distance) P-C4' energy: -65.642 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -44.117 tors. eta vs tors. theta energy: -77.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -916.562797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.562797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.562797 (E_RNA) where: Base-Base interactions energy: -594.539 where: short stacking energy: -256.504 Base-Backbone interact. energy: -0.878 local terms energy: -321.145402 where: bonds (distance) C4'-P energy: -67.819 bonds (distance) P-C4' energy: -63.654 flat angles C4'-P-C4' energy: -65.368 flat angles P-C4'-P energy: -46.797 tors. eta vs tors. theta energy: -77.507 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: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -821.823785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.823785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.823785 (E_RNA) where: Base-Base interactions energy: -531.102 where: short stacking energy: -239.592 Base-Backbone interact. energy: 0.055 local terms energy: -290.776909 where: bonds (distance) C4'-P energy: -59.273 bonds (distance) P-C4' energy: -61.625 flat angles C4'-P-C4' energy: -56.552 flat angles P-C4'-P energy: -47.230 tors. eta vs tors. theta energy: -66.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -719.319382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.319382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.319382 (E_RNA) where: Base-Base interactions energy: -455.429 where: short stacking energy: -185.586 Base-Backbone interact. energy: -1.146 local terms energy: -262.744581 where: bonds (distance) C4'-P energy: -58.856 bonds (distance) P-C4' energy: -61.698 flat angles C4'-P-C4' energy: -63.938 flat angles P-C4'-P energy: -30.054 tors. eta vs tors. theta energy: -48.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -586.891692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.891692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.891692 (E_RNA) where: Base-Base interactions energy: -351.502 where: short stacking energy: -180.023 Base-Backbone interact. energy: -1.564 local terms energy: -233.825884 where: bonds (distance) C4'-P energy: -56.340 bonds (distance) P-C4' energy: -57.467 flat angles C4'-P-C4' energy: -64.662 flat angles P-C4'-P energy: -23.341 tors. eta vs tors. theta energy: -32.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -586.277765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.277765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.277765 (E_RNA) where: Base-Base interactions energy: -337.268 where: short stacking energy: -166.765 Base-Backbone interact. energy: -2.511 local terms energy: -246.498806 where: bonds (distance) C4'-P energy: -51.873 bonds (distance) P-C4' energy: -53.854 flat angles C4'-P-C4' energy: -64.677 flat angles P-C4'-P energy: -40.256 tors. eta vs tors. theta energy: -35.839 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: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -464.883638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.883638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.883638 (E_RNA) where: Base-Base interactions energy: -236.734 where: short stacking energy: -136.861 Base-Backbone interact. energy: -0.099 local terms energy: -228.050219 where: bonds (distance) C4'-P energy: -56.563 bonds (distance) P-C4' energy: -54.102 flat angles C4'-P-C4' energy: -56.397 flat angles P-C4'-P energy: -39.278 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: 8, replica: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -472.353268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.353268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.353268 (E_RNA) where: Base-Base interactions energy: -249.686 where: short stacking energy: -126.459 Base-Backbone interact. energy: -2.023 local terms energy: -220.644608 where: bonds (distance) C4'-P energy: -44.303 bonds (distance) P-C4' energy: -62.468 flat angles C4'-P-C4' energy: -56.187 flat angles P-C4'-P energy: -32.795 tors. eta vs tors. theta energy: -24.892 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: 6 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -258.887417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.887417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.887417 (E_RNA) where: Base-Base interactions energy: -85.269 where: short stacking energy: -69.567 Base-Backbone interact. energy: 0.062 local terms energy: -173.680745 where: bonds (distance) C4'-P energy: -49.206 bonds (distance) P-C4' energy: -54.460 flat angles C4'-P-C4' energy: -45.393 flat angles P-C4'-P energy: -24.676 tors. eta vs tors. theta energy: 0.055 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: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -261.840070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.840070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.840070 (E_RNA) where: Base-Base interactions energy: -112.341 where: short stacking energy: -85.953 Base-Backbone interact. energy: 6.034 local terms energy: -155.533074 where: bonds (distance) C4'-P energy: -52.992 bonds (distance) P-C4' energy: -39.976 flat angles C4'-P-C4' energy: -37.695 flat angles P-C4'-P energy: -25.604 tors. eta vs tors. theta energy: 0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -950.450661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.450661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.450661 (E_RNA) where: Base-Base interactions energy: -631.610 where: short stacking energy: -285.146 Base-Backbone interact. energy: -0.473 local terms energy: -318.367688 where: bonds (distance) C4'-P energy: -64.139 bonds (distance) P-C4' energy: -60.653 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -47.193 tors. eta vs tors. theta energy: -81.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -957.752121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.752121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.752121 (E_RNA) where: Base-Base interactions energy: -650.067 where: short stacking energy: -254.788 Base-Backbone interact. energy: 0.727 local terms energy: -308.412285 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -65.263 flat angles C4'-P-C4' energy: -67.271 flat angles P-C4'-P energy: -41.079 tors. eta vs tors. theta energy: -74.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -838.879704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.879704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.879704 (E_RNA) where: Base-Base interactions energy: -536.691 where: short stacking energy: -261.260 Base-Backbone interact. energy: 0.909 local terms energy: -303.097387 where: bonds (distance) C4'-P energy: -66.613 bonds (distance) P-C4' energy: -63.261 flat angles C4'-P-C4' energy: -59.726 flat angles P-C4'-P energy: -44.479 tors. eta vs tors. theta energy: -69.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -795.275067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.275067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.275067 (E_RNA) where: Base-Base interactions energy: -519.365 where: short stacking energy: -187.772 Base-Backbone interact. energy: -1.750 local terms energy: -274.160527 where: bonds (distance) C4'-P energy: -56.603 bonds (distance) P-C4' energy: -64.358 flat angles C4'-P-C4' energy: -58.942 flat angles P-C4'-P energy: -49.704 tors. eta vs tors. theta energy: -44.554 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: 7 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -600.246109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.246109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.246109 (E_RNA) where: Base-Base interactions energy: -349.422 where: short stacking energy: -174.462 Base-Backbone interact. energy: -1.299 local terms energy: -249.525482 where: bonds (distance) C4'-P energy: -61.775 bonds (distance) P-C4' energy: -57.649 flat angles C4'-P-C4' energy: -62.411 flat angles P-C4'-P energy: -39.809 tors. eta vs tors. theta energy: -27.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -567.957586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.957586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.957586 (E_RNA) where: Base-Base interactions energy: -330.505 where: short stacking energy: -166.732 Base-Backbone interact. energy: 3.523 local terms energy: -240.975765 where: bonds (distance) C4'-P energy: -59.175 bonds (distance) P-C4' energy: -53.912 flat angles C4'-P-C4' energy: -56.479 flat angles P-C4'-P energy: -34.065 tors. eta vs tors. theta energy: -37.344 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: 3 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -463.931801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.931801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.931801 (E_RNA) where: Base-Base interactions energy: -265.190 where: short stacking energy: -154.695 Base-Backbone interact. energy: -1.528 local terms energy: -197.213661 where: bonds (distance) C4'-P energy: -37.410 bonds (distance) P-C4' energy: -55.406 flat angles C4'-P-C4' energy: -59.389 flat angles P-C4'-P energy: -25.329 tors. eta vs tors. theta energy: -19.680 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: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -428.065719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.065719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.065719 (E_RNA) where: Base-Base interactions energy: -205.974 where: short stacking energy: -112.864 Base-Backbone interact. energy: -1.535 local terms energy: -220.556579 where: bonds (distance) C4'-P energy: -55.691 bonds (distance) P-C4' energy: -63.083 flat angles C4'-P-C4' energy: -59.128 flat angles P-C4'-P energy: -31.324 tors. eta vs tors. theta energy: -11.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -277.368751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.368751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.368751 (E_RNA) where: Base-Base interactions energy: -79.054 where: short stacking energy: -66.254 Base-Backbone interact. energy: 0.646 local terms energy: -198.960390 where: bonds (distance) C4'-P energy: -64.716 bonds (distance) P-C4' energy: -46.646 flat angles C4'-P-C4' energy: -52.083 flat angles P-C4'-P energy: -31.805 tors. eta vs tors. theta energy: -3.711 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: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -256.143173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.143173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.143173 (E_RNA) where: Base-Base interactions energy: -85.153 where: short stacking energy: -51.460 Base-Backbone interact. energy: -2.480 local terms energy: -168.510580 where: bonds (distance) C4'-P energy: -58.440 bonds (distance) P-C4' energy: -61.345 flat angles C4'-P-C4' energy: -36.158 flat angles P-C4'-P energy: -19.178 tors. eta vs tors. theta energy: 6.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -965.168180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.168180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.168180 (E_RNA) where: Base-Base interactions energy: -651.870 where: short stacking energy: -279.859 Base-Backbone interact. energy: -3.419 local terms energy: -309.879212 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -61.283 flat angles C4'-P-C4' energy: -69.094 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -73.935 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: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -973.794744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.794744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.794744 (E_RNA) where: Base-Base interactions energy: -667.239 where: short stacking energy: -275.578 Base-Backbone interact. energy: -1.221 local terms energy: -305.335666 where: bonds (distance) C4'-P energy: -62.218 bonds (distance) P-C4' energy: -58.316 flat angles C4'-P-C4' energy: -68.800 flat angles P-C4'-P energy: -38.008 tors. eta vs tors. theta energy: -77.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -841.965211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.965211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.965211 (E_RNA) where: Base-Base interactions energy: -541.014 where: short stacking energy: -254.683 Base-Backbone interact. energy: -3.714 local terms energy: -297.237409 where: bonds (distance) C4'-P energy: -58.869 bonds (distance) P-C4' energy: -61.903 flat angles C4'-P-C4' energy: -60.022 flat angles P-C4'-P energy: -42.679 tors. eta vs tors. theta energy: -73.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -815.582054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.582054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.582054 (E_RNA) where: Base-Base interactions energy: -529.222 where: short stacking energy: -240.183 Base-Backbone interact. energy: -1.989 local terms energy: -284.371548 where: bonds (distance) C4'-P energy: -68.086 bonds (distance) P-C4' energy: -50.966 flat angles C4'-P-C4' energy: -64.287 flat angles P-C4'-P energy: -40.622 tors. eta vs tors. theta energy: -60.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -631.793168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.793168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.793168 (E_RNA) where: Base-Base interactions energy: -371.620 where: short stacking energy: -187.473 Base-Backbone interact. energy: -0.939 local terms energy: -259.234666 where: bonds (distance) C4'-P energy: -47.812 bonds (distance) P-C4' energy: -58.378 flat angles C4'-P-C4' energy: -59.927 flat angles P-C4'-P energy: -52.982 tors. eta vs tors. theta energy: -40.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -525.467276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.467276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.467276 (E_RNA) where: Base-Base interactions energy: -300.216 where: short stacking energy: -153.435 Base-Backbone interact. energy: -0.742 local terms energy: -224.509355 where: bonds (distance) C4'-P energy: -48.316 bonds (distance) P-C4' energy: -66.941 flat angles C4'-P-C4' energy: -56.709 flat angles P-C4'-P energy: -25.439 tors. eta vs tors. theta energy: -27.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -490.783947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.783947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.783947 (E_RNA) where: Base-Base interactions energy: -269.715 where: short stacking energy: -135.607 Base-Backbone interact. energy: -1.003 local terms energy: -220.065567 where: bonds (distance) C4'-P energy: -61.105 bonds (distance) P-C4' energy: -53.054 flat angles C4'-P-C4' energy: -53.397 flat angles P-C4'-P energy: -27.198 tors. eta vs tors. theta energy: -25.311 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: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -417.557618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.557618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.557618 (E_RNA) where: Base-Base interactions energy: -224.774 where: short stacking energy: -104.262 Base-Backbone interact. energy: -1.371 local terms energy: -191.412132 where: bonds (distance) C4'-P energy: -50.084 bonds (distance) P-C4' energy: -67.366 flat angles C4'-P-C4' energy: -55.053 flat angles P-C4'-P energy: -19.866 tors. eta vs tors. theta energy: 0.957 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: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -311.780834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.780834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.780834 (E_RNA) where: Base-Base interactions energy: -129.345 where: short stacking energy: -87.527 Base-Backbone interact. energy: 0.516 local terms energy: -182.952397 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -59.202 flat angles C4'-P-C4' energy: -43.969 flat angles P-C4'-P energy: -37.310 tors. eta vs tors. theta energy: 10.601 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: 10, replica: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -244.441969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.441969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.441969 (E_RNA) where: Base-Base interactions energy: -65.715 where: short stacking energy: -60.935 Base-Backbone interact. energy: 0.441 local terms energy: -179.168240 where: bonds (distance) C4'-P energy: -52.526 bonds (distance) P-C4' energy: -52.919 flat angles C4'-P-C4' energy: -50.087 flat angles P-C4'-P energy: -34.313 tors. eta vs tors. theta energy: 10.676 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: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1000.264992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.264992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.264992 (E_RNA) where: Base-Base interactions energy: -675.643 where: short stacking energy: -302.705 Base-Backbone interact. energy: 1.323 local terms energy: -325.945803 where: bonds (distance) C4'-P energy: -57.506 bonds (distance) P-C4' energy: -62.010 flat angles C4'-P-C4' energy: -70.858 flat angles P-C4'-P energy: -48.193 tors. eta vs tors. theta energy: -87.380 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: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -938.226365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.226365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.226365 (E_RNA) where: Base-Base interactions energy: -636.483 where: short stacking energy: -259.201 Base-Backbone interact. energy: -2.331 local terms energy: -299.412983 where: bonds (distance) C4'-P energy: -61.140 bonds (distance) P-C4' energy: -52.070 flat angles C4'-P-C4' energy: -66.289 flat angles P-C4'-P energy: -43.727 tors. eta vs tors. theta energy: -76.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -844.078090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.078090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.078090 (E_RNA) where: Base-Base interactions energy: -555.939 where: short stacking energy: -245.568 Base-Backbone interact. energy: -0.193 local terms energy: -287.945819 where: bonds (distance) C4'-P energy: -59.554 bonds (distance) P-C4' energy: -58.028 flat angles C4'-P-C4' energy: -73.069 flat angles P-C4'-P energy: -30.852 tors. eta vs tors. theta energy: -66.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -837.585852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.585852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.585852 (E_RNA) where: Base-Base interactions energy: -535.581 where: short stacking energy: -248.101 Base-Backbone interact. energy: -0.694 local terms energy: -301.310424 where: bonds (distance) C4'-P energy: -64.794 bonds (distance) P-C4' energy: -62.333 flat angles C4'-P-C4' energy: -65.240 flat angles P-C4'-P energy: -43.366 tors. eta vs tors. theta energy: -65.577 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: 5, replica: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -636.006432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.006432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.006432 (E_RNA) where: Base-Base interactions energy: -372.741 where: short stacking energy: -172.960 Base-Backbone interact. energy: -2.372 local terms energy: -260.893309 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -58.038 flat angles C4'-P-C4' energy: -61.515 flat angles P-C4'-P energy: -41.018 tors. eta vs tors. theta energy: -47.123 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: 6, replica: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -572.707006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.707006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.707006 (E_RNA) where: Base-Base interactions energy: -344.216 where: short stacking energy: -158.296 Base-Backbone interact. energy: -0.106 local terms energy: -228.384541 where: bonds (distance) C4'-P energy: -45.201 bonds (distance) P-C4' energy: -53.974 flat angles C4'-P-C4' energy: -56.193 flat angles P-C4'-P energy: -40.004 tors. eta vs tors. theta energy: -33.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -507.900959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.900959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.900959 (E_RNA) where: Base-Base interactions energy: -279.767 where: short stacking energy: -140.991 Base-Backbone interact. energy: -0.925 local terms energy: -227.208605 where: bonds (distance) C4'-P energy: -52.763 bonds (distance) P-C4' energy: -61.157 flat angles C4'-P-C4' energy: -48.155 flat angles P-C4'-P energy: -39.205 tors. eta vs tors. theta energy: -25.929 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: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -428.822377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.822377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.822377 (E_RNA) where: Base-Base interactions energy: -234.955 where: short stacking energy: -107.101 Base-Backbone interact. energy: 0.277 local terms energy: -194.144454 where: bonds (distance) C4'-P energy: -52.219 bonds (distance) P-C4' energy: -54.578 flat angles C4'-P-C4' energy: -53.910 flat angles P-C4'-P energy: -31.290 tors. eta vs tors. theta energy: -2.148 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: 9, replica: 6 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -276.661904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.661904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.661904 (E_RNA) where: Base-Base interactions energy: -104.117 where: short stacking energy: -68.963 Base-Backbone interact. energy: -1.651 local terms energy: -170.893505 where: bonds (distance) C4'-P energy: -43.484 bonds (distance) P-C4' energy: -58.993 flat angles C4'-P-C4' energy: -48.603 flat angles P-C4'-P energy: -26.851 tors. eta vs tors. theta energy: 7.038 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: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -263.129140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.129140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.129140 (E_RNA) where: Base-Base interactions energy: -108.466 where: short stacking energy: -63.889 Base-Backbone interact. energy: -0.293 local terms energy: -154.370586 where: bonds (distance) C4'-P energy: -63.018 bonds (distance) P-C4' energy: -49.406 flat angles C4'-P-C4' energy: -29.158 flat angles P-C4'-P energy: -26.417 tors. eta vs tors. theta energy: 13.628 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: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1001.077986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.077986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.077986 (E_RNA) where: Base-Base interactions energy: -674.145 where: short stacking energy: -277.591 Base-Backbone interact. energy: -0.357 local terms energy: -326.576248 where: bonds (distance) C4'-P energy: -65.273 bonds (distance) P-C4' energy: -59.723 flat angles C4'-P-C4' energy: -69.192 flat angles P-C4'-P energy: -40.199 tors. eta vs tors. theta energy: -92.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -955.502529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.502529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.502529 (E_RNA) where: Base-Base interactions energy: -641.514 where: short stacking energy: -274.053 Base-Backbone interact. energy: -3.581 local terms energy: -310.407611 where: bonds (distance) C4'-P energy: -60.985 bonds (distance) P-C4' energy: -64.299 flat angles C4'-P-C4' energy: -65.667 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -71.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -826.488404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.488404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.488404 (E_RNA) where: Base-Base interactions energy: -527.119 where: short stacking energy: -232.641 Base-Backbone interact. energy: -3.054 local terms energy: -296.315824 where: bonds (distance) C4'-P energy: -68.404 bonds (distance) P-C4' energy: -60.378 flat angles C4'-P-C4' energy: -62.270 flat angles P-C4'-P energy: -46.175 tors. eta vs tors. theta energy: -59.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -797.165746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.165746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.165746 (E_RNA) where: Base-Base interactions energy: -509.081 where: short stacking energy: -245.811 Base-Backbone interact. energy: -1.844 local terms energy: -286.241347 where: bonds (distance) C4'-P energy: -56.975 bonds (distance) P-C4' energy: -58.291 flat angles C4'-P-C4' energy: -58.931 flat angles P-C4'-P energy: -43.473 tors. eta vs tors. theta energy: -68.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -636.101921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.101921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.101921 (E_RNA) where: Base-Base interactions energy: -368.947 where: short stacking energy: -195.294 Base-Backbone interact. energy: 0.590 local terms energy: -267.744958 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -59.663 flat angles C4'-P-C4' energy: -66.616 flat angles P-C4'-P energy: -37.698 tors. eta vs tors. theta energy: -43.438 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: 6, replica: 8 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -548.602101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.602101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.602101 (E_RNA) where: Base-Base interactions energy: -342.030 where: short stacking energy: -149.836 Base-Backbone interact. energy: -0.925 local terms energy: -205.647756 where: bonds (distance) C4'-P energy: -55.268 bonds (distance) P-C4' energy: -52.100 flat angles C4'-P-C4' energy: -44.861 flat angles P-C4'-P energy: -36.520 tors. eta vs tors. theta energy: -16.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -503.286537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.286537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.286537 (E_RNA) where: Base-Base interactions energy: -289.208 where: short stacking energy: -146.305 Base-Backbone interact. energy: 4.198 local terms energy: -218.277213 where: bonds (distance) C4'-P energy: -52.992 bonds (distance) P-C4' energy: -57.624 flat angles C4'-P-C4' energy: -50.597 flat angles P-C4'-P energy: -44.137 tors. eta vs tors. theta energy: -12.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -430.318602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.318602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.318602 (E_RNA) where: Base-Base interactions energy: -229.290 where: short stacking energy: -106.199 Base-Backbone interact. energy: 1.725 local terms energy: -202.753627 where: bonds (distance) C4'-P energy: -65.947 bonds (distance) P-C4' energy: -48.725 flat angles C4'-P-C4' energy: -57.478 flat angles P-C4'-P energy: -26.944 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -285.140924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.140924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.140924 (E_RNA) where: Base-Base interactions energy: -121.523 where: short stacking energy: -106.757 Base-Backbone interact. energy: 2.026 local terms energy: -165.644288 where: bonds (distance) C4'-P energy: -31.454 bonds (distance) P-C4' energy: -60.562 flat angles C4'-P-C4' energy: -49.506 flat angles P-C4'-P energy: -26.143 tors. eta vs tors. theta energy: 2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -258.329496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.329496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.329496 (E_RNA) where: Base-Base interactions energy: -93.570 where: short stacking energy: -72.754 Base-Backbone interact. energy: 1.649 local terms energy: -166.409352 where: bonds (distance) C4'-P energy: -51.872 bonds (distance) P-C4' energy: -50.347 flat angles C4'-P-C4' energy: -44.276 flat angles P-C4'-P energy: -26.727 tors. eta vs tors. theta energy: 6.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1026.977510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.977510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.977510 (E_RNA) where: Base-Base interactions energy: -711.883 where: short stacking energy: -289.449 Base-Backbone interact. energy: -0.453 local terms energy: -314.641517 where: bonds (distance) C4'-P energy: -64.236 bonds (distance) P-C4' energy: -60.522 flat angles C4'-P-C4' energy: -61.699 flat angles P-C4'-P energy: -38.624 tors. eta vs tors. theta energy: -89.561 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: 40 Temperature: 0.950000 Total energy: -932.327602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.327602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.327602 (E_RNA) where: Base-Base interactions energy: -627.001 where: short stacking energy: -276.686 Base-Backbone interact. energy: -2.194 local terms energy: -303.132598 where: bonds (distance) C4'-P energy: -58.083 bonds (distance) P-C4' energy: -59.421 flat angles C4'-P-C4' energy: -61.132 flat angles P-C4'-P energy: -50.828 tors. eta vs tors. theta energy: -73.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -834.342168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.342168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.342168 (E_RNA) where: Base-Base interactions energy: -548.941 where: short stacking energy: -255.915 Base-Backbone interact. energy: -0.461 local terms energy: -284.940125 where: bonds (distance) C4'-P energy: -51.777 bonds (distance) P-C4' energy: -64.508 flat angles C4'-P-C4' energy: -63.515 flat angles P-C4'-P energy: -37.956 tors. eta vs tors. theta energy: -67.184 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: 4, replica: 2 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -823.315852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.315852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.315852 (E_RNA) where: Base-Base interactions energy: -548.217 where: short stacking energy: -234.830 Base-Backbone interact. energy: 3.055 local terms energy: -278.153547 where: bonds (distance) C4'-P energy: -53.914 bonds (distance) P-C4' energy: -59.690 flat angles C4'-P-C4' energy: -57.127 flat angles P-C4'-P energy: -41.126 tors. eta vs tors. theta energy: -66.297 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: 40 Temperature: 1.100000 Total energy: -646.288407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.288407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.288407 (E_RNA) where: Base-Base interactions energy: -388.173 where: short stacking energy: -204.939 Base-Backbone interact. energy: -1.810 local terms energy: -256.305431 where: bonds (distance) C4'-P energy: -49.754 bonds (distance) P-C4' energy: -58.000 flat angles C4'-P-C4' energy: -63.881 flat angles P-C4'-P energy: -34.873 tors. eta vs tors. theta energy: -49.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -559.093125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.093125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.093125 (E_RNA) where: Base-Base interactions energy: -305.080 where: short stacking energy: -154.762 Base-Backbone interact. energy: 0.220 local terms energy: -254.233220 where: bonds (distance) C4'-P energy: -59.651 bonds (distance) P-C4' energy: -62.031 flat angles C4'-P-C4' energy: -56.315 flat angles P-C4'-P energy: -40.471 tors. eta vs tors. theta energy: -35.766 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: 7, replica: 3 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -505.188897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.188897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.188897 (E_RNA) where: Base-Base interactions energy: -291.400 where: short stacking energy: -147.717 Base-Backbone interact. energy: -1.120 local terms energy: -212.668192 where: bonds (distance) C4'-P energy: -46.702 bonds (distance) P-C4' energy: -58.308 flat angles C4'-P-C4' energy: -50.466 flat angles P-C4'-P energy: -29.656 tors. eta vs tors. theta energy: -27.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -415.127423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.127423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.127423 (E_RNA) where: Base-Base interactions energy: -214.559 where: short stacking energy: -114.451 Base-Backbone interact. energy: -1.994 local terms energy: -198.574678 where: bonds (distance) C4'-P energy: -57.313 bonds (distance) P-C4' energy: -50.630 flat angles C4'-P-C4' energy: -47.729 flat angles P-C4'-P energy: -22.651 tors. eta vs tors. theta energy: -20.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -278.144369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.144369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.144369 (E_RNA) where: Base-Base interactions energy: -115.817 where: short stacking energy: -84.501 Base-Backbone interact. energy: -0.987 local terms energy: -161.340158 where: bonds (distance) C4'-P energy: -47.491 bonds (distance) P-C4' energy: -53.198 flat angles C4'-P-C4' energy: -45.586 flat angles P-C4'-P energy: -23.308 tors. eta vs tors. theta energy: 8.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -248.988785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.988785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.988785 (E_RNA) where: Base-Base interactions energy: -101.059 where: short stacking energy: -68.960 Base-Backbone interact. energy: -0.933 local terms energy: -146.997435 where: bonds (distance) C4'-P energy: -55.659 bonds (distance) P-C4' energy: -53.334 flat angles C4'-P-C4' energy: -29.877 flat angles P-C4'-P energy: -23.558 tors. eta vs tors. theta energy: 15.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1013.106326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.106326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.106326 (E_RNA) where: Base-Base interactions energy: -689.862 where: short stacking energy: -276.366 Base-Backbone interact. energy: -2.215 local terms energy: -321.028822 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -63.997 flat angles C4'-P-C4' energy: -69.874 flat angles P-C4'-P energy: -46.660 tors. eta vs tors. theta energy: -84.030 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: 41 Temperature: 0.950000 Total energy: -915.165547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.165547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.165547 (E_RNA) where: Base-Base interactions energy: -631.791 where: short stacking energy: -246.419 Base-Backbone interact. energy: -2.355 local terms energy: -281.019761 where: bonds (distance) C4'-P energy: -56.291 bonds (distance) P-C4' energy: -58.517 flat angles C4'-P-C4' energy: -58.542 flat angles P-C4'-P energy: -41.778 tors. eta vs tors. theta energy: -65.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -835.454872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.454872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.454872 (E_RNA) where: Base-Base interactions energy: -526.932 where: short stacking energy: -240.665 Base-Backbone interact. energy: -1.287 local terms energy: -307.235736 where: bonds (distance) C4'-P energy: -71.749 bonds (distance) P-C4' energy: -63.496 flat angles C4'-P-C4' energy: -64.593 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -60.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -808.270279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.270279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.270279 (E_RNA) where: Base-Base interactions energy: -542.410 where: short stacking energy: -232.322 Base-Backbone interact. energy: -1.308 local terms energy: -264.551570 where: bonds (distance) C4'-P energy: -57.793 bonds (distance) P-C4' energy: -54.323 flat angles C4'-P-C4' energy: -52.855 flat angles P-C4'-P energy: -45.106 tors. eta vs tors. theta energy: -54.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -639.893894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.893894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.893894 (E_RNA) where: Base-Base interactions energy: -386.762 where: short stacking energy: -193.517 Base-Backbone interact. energy: -0.371 local terms energy: -252.760451 where: bonds (distance) C4'-P energy: -51.810 bonds (distance) P-C4' energy: -67.374 flat angles C4'-P-C4' energy: -54.836 flat angles P-C4'-P energy: -36.704 tors. eta vs tors. theta energy: -42.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -615.330181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.330181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.330181 (E_RNA) where: Base-Base interactions energy: -369.007 where: short stacking energy: -156.144 Base-Backbone interact. energy: 1.006 local terms energy: -247.328926 where: bonds (distance) C4'-P energy: -57.160 bonds (distance) P-C4' energy: -63.815 flat angles C4'-P-C4' energy: -57.048 flat angles P-C4'-P energy: -27.490 tors. eta vs tors. theta energy: -41.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -448.262991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.262991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.262991 (E_RNA) where: Base-Base interactions energy: -232.548 where: short stacking energy: -128.975 Base-Backbone interact. energy: 0.862 local terms energy: -216.576987 where: bonds (distance) C4'-P energy: -50.852 bonds (distance) P-C4' energy: -58.602 flat angles C4'-P-C4' energy: -49.457 flat angles P-C4'-P energy: -38.441 tors. eta vs tors. theta energy: -19.225 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: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -494.829596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.829596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.829596 (E_RNA) where: Base-Base interactions energy: -278.841 where: short stacking energy: -140.809 Base-Backbone interact. energy: -0.662 local terms energy: -215.326680 where: bonds (distance) C4'-P energy: -55.301 bonds (distance) P-C4' energy: -56.263 flat angles C4'-P-C4' energy: -40.803 flat angles P-C4'-P energy: -33.557 tors. eta vs tors. theta energy: -29.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -309.589700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.589700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.589700 (E_RNA) where: Base-Base interactions energy: -124.809 where: short stacking energy: -110.381 Base-Backbone interact. energy: -1.041 local terms energy: -183.739310 where: bonds (distance) C4'-P energy: -48.139 bonds (distance) P-C4' energy: -46.077 flat angles C4'-P-C4' energy: -50.474 flat angles P-C4'-P energy: -30.354 tors. eta vs tors. theta energy: -8.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -257.646633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.646633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.646633 (E_RNA) where: Base-Base interactions energy: -95.886 where: short stacking energy: -71.523 Base-Backbone interact. energy: -2.024 local terms energy: -159.736459 where: bonds (distance) C4'-P energy: -49.528 bonds (distance) P-C4' energy: -57.767 flat angles C4'-P-C4' energy: -47.464 flat angles P-C4'-P energy: -26.711 tors. eta vs tors. theta energy: 21.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1010.804920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.804920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.804920 (E_RNA) where: Base-Base interactions energy: -690.816 where: short stacking energy: -274.226 Base-Backbone interact. energy: 0.367 local terms energy: -320.355624 where: bonds (distance) C4'-P energy: -57.716 bonds (distance) P-C4' energy: -64.468 flat angles C4'-P-C4' energy: -65.855 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -82.984 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: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -890.288376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.288376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.288376 (E_RNA) where: Base-Base interactions energy: -587.906 where: short stacking energy: -244.160 Base-Backbone interact. energy: 0.643 local terms energy: -303.025141 where: bonds (distance) C4'-P energy: -68.126 bonds (distance) P-C4' energy: -57.286 flat angles C4'-P-C4' energy: -68.771 flat angles P-C4'-P energy: -43.172 tors. eta vs tors. theta energy: -65.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -819.652682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.652682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.652682 (E_RNA) where: Base-Base interactions energy: -512.330 where: short stacking energy: -232.916 Base-Backbone interact. energy: 0.802 local terms energy: -308.124971 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -65.358 flat angles C4'-P-C4' energy: -67.283 flat angles P-C4'-P energy: -44.712 tors. eta vs tors. theta energy: -66.854 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: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -845.041338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.041338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.041338 (E_RNA) where: Base-Base interactions energy: -560.192 where: short stacking energy: -266.711 Base-Backbone interact. energy: 1.832 local terms energy: -286.681279 where: bonds (distance) C4'-P energy: -47.369 bonds (distance) P-C4' energy: -59.051 flat angles C4'-P-C4' energy: -58.704 flat angles P-C4'-P energy: -45.157 tors. eta vs tors. theta energy: -76.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -683.413057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.413057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.413057 (E_RNA) where: Base-Base interactions energy: -412.724 where: short stacking energy: -193.864 Base-Backbone interact. energy: -1.615 local terms energy: -269.073692 where: bonds (distance) C4'-P energy: -42.330 bonds (distance) P-C4' energy: -61.092 flat angles C4'-P-C4' energy: -64.800 flat angles P-C4'-P energy: -42.138 tors. eta vs tors. theta energy: -58.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -621.049416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.049416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.049416 (E_RNA) where: Base-Base interactions energy: -363.422 where: short stacking energy: -176.269 Base-Backbone interact. energy: 0.398 local terms energy: -258.024912 where: bonds (distance) C4'-P energy: -49.781 bonds (distance) P-C4' energy: -67.294 flat angles C4'-P-C4' energy: -62.521 flat angles P-C4'-P energy: -32.377 tors. eta vs tors. theta energy: -46.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -564.606622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.606622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.606622 (E_RNA) where: Base-Base interactions energy: -310.438 where: short stacking energy: -167.762 Base-Backbone interact. energy: 1.330 local terms energy: -255.498168 where: bonds (distance) C4'-P energy: -58.331 bonds (distance) P-C4' energy: -54.690 flat angles C4'-P-C4' energy: -59.803 flat angles P-C4'-P energy: -33.360 tors. eta vs tors. theta energy: -49.314 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: 3 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -451.320558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.320558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.320558 (E_RNA) where: Base-Base interactions energy: -227.552 where: short stacking energy: -116.631 Base-Backbone interact. energy: -1.250 local terms energy: -222.518123 where: bonds (distance) C4'-P energy: -58.513 bonds (distance) P-C4' energy: -58.331 flat angles C4'-P-C4' energy: -56.929 flat angles P-C4'-P energy: -30.291 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: 9, replica: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -276.736948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.736948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.736948 (E_RNA) where: Base-Base interactions energy: -98.862 where: short stacking energy: -73.357 Base-Backbone interact. energy: -0.031 local terms energy: -177.843787 where: bonds (distance) C4'-P energy: -63.177 bonds (distance) P-C4' energy: -44.165 flat angles C4'-P-C4' energy: -49.335 flat angles P-C4'-P energy: -29.437 tors. eta vs tors. theta energy: 8.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -263.120513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.120513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.120513 (E_RNA) where: Base-Base interactions energy: -94.980 where: short stacking energy: -66.635 Base-Backbone interact. energy: -4.263 local terms energy: -163.877603 where: bonds (distance) C4'-P energy: -53.837 bonds (distance) P-C4' energy: -57.193 flat angles C4'-P-C4' energy: -44.612 flat angles P-C4'-P energy: -27.919 tors. eta vs tors. theta energy: 19.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1009.132830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.132830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.132830 (E_RNA) where: Base-Base interactions energy: -679.498 where: short stacking energy: -290.232 Base-Backbone interact. energy: -0.419 local terms energy: -329.215074 where: bonds (distance) C4'-P energy: -66.231 bonds (distance) P-C4' energy: -52.299 flat angles C4'-P-C4' energy: -72.411 flat angles P-C4'-P energy: -55.480 tors. eta vs tors. theta energy: -82.794 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: 43 Temperature: 0.950000 Total energy: -882.766915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.766915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.766915 (E_RNA) where: Base-Base interactions energy: -590.194 where: short stacking energy: -257.501 Base-Backbone interact. energy: -3.620 local terms energy: -288.953653 where: bonds (distance) C4'-P energy: -64.571 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -65.727 flat angles P-C4'-P energy: -38.548 tors. eta vs tors. theta energy: -64.826 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: 3, replica: 10 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -835.547012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.547012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.547012 (E_RNA) where: Base-Base interactions energy: -532.784 where: short stacking energy: -247.607 Base-Backbone interact. energy: -0.807 local terms energy: -301.956517 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -50.665 flat angles C4'-P-C4' energy: -65.969 flat angles P-C4'-P energy: -43.084 tors. eta vs tors. theta energy: -74.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -852.853414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.853414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.853414 (E_RNA) where: Base-Base interactions energy: -558.060 where: short stacking energy: -248.761 Base-Backbone interact. energy: 0.700 local terms energy: -295.492957 where: bonds (distance) C4'-P energy: -62.303 bonds (distance) P-C4' energy: -55.036 flat angles C4'-P-C4' energy: -65.184 flat angles P-C4'-P energy: -40.170 tors. eta vs tors. theta energy: -72.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -654.444183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.444183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.444183 (E_RNA) where: Base-Base interactions energy: -401.116 where: short stacking energy: -182.535 Base-Backbone interact. energy: -1.173 local terms energy: -252.154352 where: bonds (distance) C4'-P energy: -54.377 bonds (distance) P-C4' energy: -70.654 flat angles C4'-P-C4' energy: -51.672 flat angles P-C4'-P energy: -24.286 tors. eta vs tors. theta energy: -51.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -643.412411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.412411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.412411 (E_RNA) where: Base-Base interactions energy: -390.138 where: short stacking energy: -185.067 Base-Backbone interact. energy: -1.070 local terms energy: -252.204178 where: bonds (distance) C4'-P energy: -55.175 bonds (distance) P-C4' energy: -47.343 flat angles C4'-P-C4' energy: -54.512 flat angles P-C4'-P energy: -44.853 tors. eta vs tors. theta energy: -50.321 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: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -506.091294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.091294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.091294 (E_RNA) where: Base-Base interactions energy: -295.239 where: short stacking energy: -133.929 Base-Backbone interact. energy: -1.771 local terms energy: -209.082150 where: bonds (distance) C4'-P energy: -51.370 bonds (distance) P-C4' energy: -50.378 flat angles C4'-P-C4' energy: -62.874 flat angles P-C4'-P energy: -26.951 tors. eta vs tors. theta energy: -17.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -438.152307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.152307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.152307 (E_RNA) where: Base-Base interactions energy: -226.881 where: short stacking energy: -121.933 Base-Backbone interact. energy: -0.845 local terms energy: -210.426268 where: bonds (distance) C4'-P energy: -48.074 bonds (distance) P-C4' energy: -60.192 flat angles C4'-P-C4' energy: -55.249 flat angles P-C4'-P energy: -36.022 tors. eta vs tors. theta energy: -10.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -306.994046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.994046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.994046 (E_RNA) where: Base-Base interactions energy: -132.899 where: short stacking energy: -98.320 Base-Backbone interact. energy: -1.345 local terms energy: -172.750528 where: bonds (distance) C4'-P energy: -56.929 bonds (distance) P-C4' energy: -62.790 flat angles C4'-P-C4' energy: -35.420 flat angles P-C4'-P energy: -17.718 tors. eta vs tors. theta energy: 0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -254.453857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.453857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.453857 (E_RNA) where: Base-Base interactions energy: -85.582 where: short stacking energy: -67.622 Base-Backbone interact. energy: 0.197 local terms energy: -169.068752 where: bonds (distance) C4'-P energy: -58.330 bonds (distance) P-C4' energy: -49.451 flat angles C4'-P-C4' energy: -55.490 flat angles P-C4'-P energy: -18.678 tors. eta vs tors. theta energy: 12.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -993.041337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.041337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.041337 (E_RNA) where: Base-Base interactions energy: -666.086 where: short stacking energy: -289.655 Base-Backbone interact. energy: -0.849 local terms energy: -326.106339 where: bonds (distance) C4'-P energy: -65.476 bonds (distance) P-C4' energy: -59.623 flat angles C4'-P-C4' energy: -70.454 flat angles P-C4'-P energy: -48.641 tors. eta vs tors. theta energy: -81.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -910.382735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.382735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.382735 (E_RNA) where: Base-Base interactions energy: -624.126 where: short stacking energy: -270.398 Base-Backbone interact. energy: -2.039 local terms energy: -284.217442 where: bonds (distance) C4'-P energy: -45.070 bonds (distance) P-C4' energy: -64.451 flat angles C4'-P-C4' energy: -66.887 flat angles P-C4'-P energy: -42.538 tors. eta vs tors. theta energy: -65.271 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: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -895.524899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.524899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.524899 (E_RNA) where: Base-Base interactions energy: -596.732 where: short stacking energy: -266.621 Base-Backbone interact. energy: -2.138 local terms energy: -296.655251 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -55.643 flat angles C4'-P-C4' energy: -70.435 flat angles P-C4'-P energy: -34.828 tors. eta vs tors. theta energy: -76.924 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: 4, replica: 10 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -853.745190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.745190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.745190 (E_RNA) where: Base-Base interactions energy: -558.490 where: short stacking energy: -240.248 Base-Backbone interact. energy: -0.950 local terms energy: -294.305184 where: bonds (distance) C4'-P energy: -55.309 bonds (distance) P-C4' energy: -59.266 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -46.909 tors. eta vs tors. theta energy: -71.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -740.689043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.689043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.689043 (E_RNA) where: Base-Base interactions energy: -477.492 where: short stacking energy: -204.484 Base-Backbone interact. energy: -0.606 local terms energy: -262.590962 where: bonds (distance) C4'-P energy: -53.029 bonds (distance) P-C4' energy: -64.036 flat angles C4'-P-C4' energy: -54.200 flat angles P-C4'-P energy: -44.385 tors. eta vs tors. theta energy: -46.942 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: 7 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -648.635294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.635294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.635294 (E_RNA) where: Base-Base interactions energy: -378.625 where: short stacking energy: -179.016 Base-Backbone interact. energy: 1.479 local terms energy: -271.489423 where: bonds (distance) C4'-P energy: -55.393 bonds (distance) P-C4' energy: -63.758 flat angles C4'-P-C4' energy: -57.899 flat angles P-C4'-P energy: -39.898 tors. eta vs tors. theta energy: -54.541 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: 44 Temperature: 1.200000 Total energy: -495.980640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.980640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.980640 (E_RNA) where: Base-Base interactions energy: -290.467 where: short stacking energy: -134.655 Base-Backbone interact. energy: 0.218 local terms energy: -205.731638 where: bonds (distance) C4'-P energy: -58.954 bonds (distance) P-C4' energy: -48.692 flat angles C4'-P-C4' energy: -52.872 flat angles P-C4'-P energy: -24.613 tors. eta vs tors. theta energy: -20.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -470.041907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.041907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.041907 (E_RNA) where: Base-Base interactions energy: -239.172 where: short stacking energy: -129.941 Base-Backbone interact. energy: -3.245 local terms energy: -227.625271 where: bonds (distance) C4'-P energy: -49.415 bonds (distance) P-C4' energy: -60.470 flat angles C4'-P-C4' energy: -61.846 flat angles P-C4'-P energy: -36.547 tors. eta vs tors. theta energy: -19.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -337.394547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.394547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.394547 (E_RNA) where: Base-Base interactions energy: -159.081 where: short stacking energy: -84.127 Base-Backbone interact. energy: 0.104 local terms energy: -178.417711 where: bonds (distance) C4'-P energy: -46.538 bonds (distance) P-C4' energy: -48.941 flat angles C4'-P-C4' energy: -49.475 flat angles P-C4'-P energy: -31.911 tors. eta vs tors. theta energy: -1.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -269.887543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.887543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.887543 (E_RNA) where: Base-Base interactions energy: -83.870 where: short stacking energy: -56.800 Base-Backbone interact. energy: 0.177 local terms energy: -186.194431 where: bonds (distance) C4'-P energy: -50.240 bonds (distance) P-C4' energy: -49.659 flat angles C4'-P-C4' energy: -57.346 flat angles P-C4'-P energy: -34.922 tors. eta vs tors. theta energy: 5.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1001.219014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.219014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.219014 (E_RNA) where: Base-Base interactions energy: -667.672 where: short stacking energy: -287.832 Base-Backbone interact. energy: -3.073 local terms energy: -330.474465 where: bonds (distance) C4'-P energy: -67.162 bonds (distance) P-C4' energy: -66.641 flat angles C4'-P-C4' energy: -69.595 flat angles P-C4'-P energy: -48.241 tors. eta vs tors. theta energy: -78.835 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: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -910.026675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.026675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.026675 (E_RNA) where: Base-Base interactions energy: -601.763 where: short stacking energy: -265.696 Base-Backbone interact. energy: -2.853 local terms energy: -305.411212 where: bonds (distance) C4'-P energy: -59.508 bonds (distance) P-C4' energy: -63.907 flat angles C4'-P-C4' energy: -68.277 flat angles P-C4'-P energy: -45.764 tors. eta vs tors. theta energy: -67.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -893.981442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.981442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.981442 (E_RNA) where: Base-Base interactions energy: -581.785 where: short stacking energy: -258.311 Base-Backbone interact. energy: -3.134 local terms energy: -309.062069 where: bonds (distance) C4'-P energy: -55.335 bonds (distance) P-C4' energy: -68.497 flat angles C4'-P-C4' energy: -64.418 flat angles P-C4'-P energy: -43.532 tors. eta vs tors. theta energy: -77.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -841.426201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.426201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.426201 (E_RNA) where: Base-Base interactions energy: -579.822 where: short stacking energy: -237.127 Base-Backbone interact. energy: -0.057 local terms energy: -261.547874 where: bonds (distance) C4'-P energy: -48.534 bonds (distance) P-C4' energy: -57.053 flat angles C4'-P-C4' energy: -52.526 flat angles P-C4'-P energy: -30.199 tors. eta vs tors. theta energy: -73.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -752.552022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.552022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.552022 (E_RNA) where: Base-Base interactions energy: -474.352 where: short stacking energy: -208.123 Base-Backbone interact. energy: 0.223 local terms energy: -278.423626 where: bonds (distance) C4'-P energy: -60.454 bonds (distance) P-C4' energy: -65.444 flat angles C4'-P-C4' energy: -65.016 flat angles P-C4'-P energy: -37.120 tors. eta vs tors. theta energy: -50.390 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: 4 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -528.077221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.077221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.077221 (E_RNA) where: Base-Base interactions energy: -280.291 where: short stacking energy: -135.723 Base-Backbone interact. energy: -1.411 local terms energy: -246.375776 where: bonds (distance) C4'-P energy: -55.031 bonds (distance) P-C4' energy: -65.693 flat angles C4'-P-C4' energy: -54.714 flat angles P-C4'-P energy: -40.776 tors. eta vs tors. theta energy: -30.162 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: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -535.360559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.360559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.360559 (E_RNA) where: Base-Base interactions energy: -303.595 where: short stacking energy: -155.558 Base-Backbone interact. energy: 0.695 local terms energy: -232.461130 where: bonds (distance) C4'-P energy: -54.675 bonds (distance) P-C4' energy: -55.311 flat angles C4'-P-C4' energy: -45.715 flat angles P-C4'-P energy: -38.079 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: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -410.991581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.991581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.991581 (E_RNA) where: Base-Base interactions energy: -219.178 where: short stacking energy: -120.920 Base-Backbone interact. energy: 0.891 local terms energy: -192.703925 where: bonds (distance) C4'-P energy: -56.672 bonds (distance) P-C4' energy: -49.391 flat angles C4'-P-C4' energy: -53.222 flat angles P-C4'-P energy: -31.326 tors. eta vs tors. theta energy: -2.093 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: 9, replica: 3 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -432.229779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.229779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.229779 (E_RNA) where: Base-Base interactions energy: -243.761 where: short stacking energy: -139.237 Base-Backbone interact. energy: -1.107 local terms energy: -187.361887 where: bonds (distance) C4'-P energy: -54.180 bonds (distance) P-C4' energy: -48.532 flat angles C4'-P-C4' energy: -51.517 flat angles P-C4'-P energy: -15.652 tors. eta vs tors. theta energy: -17.481 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: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -277.089072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.089072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.089072 (E_RNA) where: Base-Base interactions energy: -120.128 where: short stacking energy: -83.572 Base-Backbone interact. energy: -0.746 local terms energy: -156.214692 where: bonds (distance) C4'-P energy: -42.676 bonds (distance) P-C4' energy: -45.108 flat angles C4'-P-C4' energy: -49.170 flat angles P-C4'-P energy: -13.602 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1032.343612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.343612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.343612 (E_RNA) where: Base-Base interactions energy: -687.851 where: short stacking energy: -276.103 Base-Backbone interact. energy: -0.677 local terms energy: -343.815470 where: bonds (distance) C4'-P energy: -72.293 bonds (distance) P-C4' energy: -69.791 flat angles C4'-P-C4' energy: -75.198 flat angles P-C4'-P energy: -50.560 tors. eta vs tors. theta energy: -75.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -921.398935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.398935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.398935 (E_RNA) where: Base-Base interactions energy: -616.877 where: short stacking energy: -262.521 Base-Backbone interact. energy: 7.494 local terms energy: -312.016432 where: bonds (distance) C4'-P energy: -67.537 bonds (distance) P-C4' energy: -68.415 flat angles C4'-P-C4' energy: -67.513 flat angles P-C4'-P energy: -41.515 tors. eta vs tors. theta energy: -67.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -898.155398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.155398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.155398 (E_RNA) where: Base-Base interactions energy: -579.909 where: short stacking energy: -244.735 Base-Backbone interact. energy: -0.633 local terms energy: -317.613232 where: bonds (distance) C4'-P energy: -61.210 bonds (distance) P-C4' energy: -74.910 flat angles C4'-P-C4' energy: -68.864 flat angles P-C4'-P energy: -40.782 tors. eta vs tors. theta energy: -71.847 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: 10 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -833.672237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.672237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.672237 (E_RNA) where: Base-Base interactions energy: -528.161 where: short stacking energy: -224.440 Base-Backbone interact. energy: 1.849 local terms energy: -307.360340 where: bonds (distance) C4'-P energy: -61.404 bonds (distance) P-C4' energy: -64.514 flat angles C4'-P-C4' energy: -73.501 flat angles P-C4'-P energy: -40.013 tors. eta vs tors. theta energy: -67.928 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: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -789.644357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.644357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.644357 (E_RNA) where: Base-Base interactions energy: -524.503 where: short stacking energy: -236.530 Base-Backbone interact. energy: 1.727 local terms energy: -266.868838 where: bonds (distance) C4'-P energy: -43.496 bonds (distance) P-C4' energy: -58.276 flat angles C4'-P-C4' energy: -65.460 flat angles P-C4'-P energy: -38.517 tors. eta vs tors. theta energy: -61.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -531.170684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.170684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.170684 (E_RNA) where: Base-Base interactions energy: -300.123 where: short stacking energy: -131.462 Base-Backbone interact. energy: 1.070 local terms energy: -232.117992 where: bonds (distance) C4'-P energy: -54.938 bonds (distance) P-C4' energy: -62.308 flat angles C4'-P-C4' energy: -60.715 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -16.606 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: 46 Temperature: 1.200000 Total energy: -561.455855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.455855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.455855 (E_RNA) where: Base-Base interactions energy: -349.806 where: short stacking energy: -168.611 Base-Backbone interact. energy: -0.823 local terms energy: -210.826515 where: bonds (distance) C4'-P energy: -41.392 bonds (distance) P-C4' energy: -51.906 flat angles C4'-P-C4' energy: -49.844 flat angles P-C4'-P energy: -34.030 tors. eta vs tors. theta energy: -33.654 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: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -445.829948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.829948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.829948 (E_RNA) where: Base-Base interactions energy: -226.248 where: short stacking energy: -123.022 Base-Backbone interact. energy: -0.990 local terms energy: -218.591650 where: bonds (distance) C4'-P energy: -58.023 bonds (distance) P-C4' energy: -51.938 flat angles C4'-P-C4' energy: -50.108 flat angles P-C4'-P energy: -41.125 tors. eta vs tors. theta energy: -17.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -391.872318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.872318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.872318 (E_RNA) where: Base-Base interactions energy: -189.686 where: short stacking energy: -104.325 Base-Backbone interact. energy: 0.624 local terms energy: -202.810208 where: bonds (distance) C4'-P energy: -48.995 bonds (distance) P-C4' energy: -65.141 flat angles C4'-P-C4' energy: -39.309 flat angles P-C4'-P energy: -26.897 tors. eta vs tors. theta energy: -22.468 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: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -265.005419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.005419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.005419 (E_RNA) where: Base-Base interactions energy: -106.431 where: short stacking energy: -71.588 Base-Backbone interact. energy: -0.215 local terms energy: -158.359382 where: bonds (distance) C4'-P energy: -49.999 bonds (distance) P-C4' energy: -54.865 flat angles C4'-P-C4' energy: -44.222 flat angles P-C4'-P energy: -19.708 tors. eta vs tors. theta energy: 10.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1029.905182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.905182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.905182 (E_RNA) where: Base-Base interactions energy: -693.159 where: short stacking energy: -293.108 Base-Backbone interact. energy: -0.616 local terms energy: -336.130417 where: bonds (distance) C4'-P energy: -67.136 bonds (distance) P-C4' energy: -65.823 flat angles C4'-P-C4' energy: -66.597 flat angles P-C4'-P energy: -47.949 tors. eta vs tors. theta energy: -88.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -928.614982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.614982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.614982 (E_RNA) where: Base-Base interactions energy: -638.835 where: short stacking energy: -273.572 Base-Backbone interact. energy: 0.426 local terms energy: -290.205301 where: bonds (distance) C4'-P energy: -55.747 bonds (distance) P-C4' energy: -51.971 flat angles C4'-P-C4' energy: -73.454 flat angles P-C4'-P energy: -27.182 tors. eta vs tors. theta energy: -81.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -911.367101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.367101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.367101 (E_RNA) where: Base-Base interactions energy: -616.232 where: short stacking energy: -245.329 Base-Backbone interact. energy: -0.375 local terms energy: -294.759821 where: bonds (distance) C4'-P energy: -62.137 bonds (distance) P-C4' energy: -65.776 flat angles C4'-P-C4' energy: -65.089 flat angles P-C4'-P energy: -34.954 tors. eta vs tors. theta energy: -66.803 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: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -784.365090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.365090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.365090 (E_RNA) where: Base-Base interactions energy: -512.894 where: short stacking energy: -211.705 Base-Backbone interact. energy: -1.154 local terms energy: -270.316357 where: bonds (distance) C4'-P energy: -54.465 bonds (distance) P-C4' energy: -60.459 flat angles C4'-P-C4' energy: -59.911 flat angles P-C4'-P energy: -33.165 tors. eta vs tors. theta energy: -62.316 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: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -774.113007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.113007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.113007 (E_RNA) where: Base-Base interactions energy: -482.344 where: short stacking energy: -210.382 Base-Backbone interact. energy: 0.831 local terms energy: -292.599220 where: bonds (distance) C4'-P energy: -61.303 bonds (distance) P-C4' energy: -69.121 flat angles C4'-P-C4' energy: -57.899 flat angles P-C4'-P energy: -42.084 tors. eta vs tors. theta energy: -62.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -605.436012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.436012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.436012 (E_RNA) where: Base-Base interactions energy: -358.370 where: short stacking energy: -159.228 Base-Backbone interact. energy: -0.261 local terms energy: -246.805150 where: bonds (distance) C4'-P energy: -53.293 bonds (distance) P-C4' energy: -56.085 flat angles C4'-P-C4' energy: -61.603 flat angles P-C4'-P energy: -28.716 tors. eta vs tors. theta energy: -47.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -477.682948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.682948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.682948 (E_RNA) where: Base-Base interactions energy: -292.231 where: short stacking energy: -128.590 Base-Backbone interact. energy: 0.105 local terms energy: -185.556783 where: bonds (distance) C4'-P energy: -58.344 bonds (distance) P-C4' energy: -47.424 flat angles C4'-P-C4' energy: -47.716 flat angles P-C4'-P energy: -24.840 tors. eta vs tors. theta energy: -7.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -490.622864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.622864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.622864 (E_RNA) where: Base-Base interactions energy: -299.678 where: short stacking energy: -143.677 Base-Backbone interact. energy: 4.439 local terms energy: -195.383835 where: bonds (distance) C4'-P energy: -51.967 bonds (distance) P-C4' energy: -50.537 flat angles C4'-P-C4' energy: -57.890 flat angles P-C4'-P energy: -28.347 tors. eta vs tors. theta energy: -6.644 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: 9, replica: 3 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -367.962737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.962737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.962737 (E_RNA) where: Base-Base interactions energy: -180.498 where: short stacking energy: -117.085 Base-Backbone interact. energy: -1.517 local terms energy: -185.947657 where: bonds (distance) C4'-P energy: -58.404 bonds (distance) P-C4' energy: -54.088 flat angles C4'-P-C4' energy: -51.270 flat angles P-C4'-P energy: -17.695 tors. eta vs tors. theta energy: -4.490 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: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -256.820808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.820808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.820808 (E_RNA) where: Base-Base interactions energy: -75.558 where: short stacking energy: -64.241 Base-Backbone interact. energy: -0.941 local terms energy: -180.321819 where: bonds (distance) C4'-P energy: -56.184 bonds (distance) P-C4' energy: -53.049 flat angles C4'-P-C4' energy: -37.319 flat angles P-C4'-P energy: -37.161 tors. eta vs tors. theta energy: 3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1025.224793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.224793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.224793 (E_RNA) where: Base-Base interactions energy: -685.135 where: short stacking energy: -288.637 Base-Backbone interact. energy: -0.440 local terms energy: -339.649623 where: bonds (distance) C4'-P energy: -63.647 bonds (distance) P-C4' energy: -69.290 flat angles C4'-P-C4' energy: -67.266 flat angles P-C4'-P energy: -53.288 tors. eta vs tors. theta energy: -86.160 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: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -924.223449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.223449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.223449 (E_RNA) where: Base-Base interactions energy: -612.576 where: short stacking energy: -249.087 Base-Backbone interact. energy: -1.866 local terms energy: -309.781193 where: bonds (distance) C4'-P energy: -50.967 bonds (distance) P-C4' energy: -64.913 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -52.334 tors. eta vs tors. theta energy: -72.518 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: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -899.671734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.671734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.671734 (E_RNA) where: Base-Base interactions energy: -594.981 where: short stacking energy: -255.947 Base-Backbone interact. energy: -0.243 local terms energy: -304.448111 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -57.917 flat angles C4'-P-C4' energy: -67.809 flat angles P-C4'-P energy: -47.228 tors. eta vs tors. theta energy: -72.181 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: 4, replica: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -821.012973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.012973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.012973 (E_RNA) where: Base-Base interactions energy: -531.505 where: short stacking energy: -230.608 Base-Backbone interact. energy: -0.839 local terms energy: -288.669482 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -60.609 flat angles C4'-P-C4' energy: -65.498 flat angles P-C4'-P energy: -36.938 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: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -760.832252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.832252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.832252 (E_RNA) where: Base-Base interactions energy: -481.293 where: short stacking energy: -228.625 Base-Backbone interact. energy: -1.035 local terms energy: -278.504827 where: bonds (distance) C4'-P energy: -57.583 bonds (distance) P-C4' energy: -52.097 flat angles C4'-P-C4' energy: -63.906 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -62.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -631.380575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.380575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.380575 (E_RNA) where: Base-Base interactions energy: -375.728 where: short stacking energy: -180.481 Base-Backbone interact. energy: -1.904 local terms energy: -253.748282 where: bonds (distance) C4'-P energy: -66.664 bonds (distance) P-C4' energy: -59.179 flat angles C4'-P-C4' energy: -55.904 flat angles P-C4'-P energy: -35.326 tors. eta vs tors. theta energy: -36.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -503.518660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.518660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.518660 (E_RNA) where: Base-Base interactions energy: -277.312 where: short stacking energy: -125.346 Base-Backbone interact. energy: 0.197 local terms energy: -226.403543 where: bonds (distance) C4'-P energy: -54.558 bonds (distance) P-C4' energy: -63.082 flat angles C4'-P-C4' energy: -59.497 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: -15.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -487.980629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.980629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.980629 (E_RNA) where: Base-Base interactions energy: -271.070 where: short stacking energy: -138.403 Base-Backbone interact. energy: -1.119 local terms energy: -215.791599 where: bonds (distance) C4'-P energy: -36.480 bonds (distance) P-C4' energy: -62.227 flat angles C4'-P-C4' energy: -56.274 flat angles P-C4'-P energy: -27.576 tors. eta vs tors. theta energy: -33.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -323.418750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.418750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.418750 (E_RNA) where: Base-Base interactions energy: -163.585 where: short stacking energy: -104.071 Base-Backbone interact. energy: -0.043 local terms energy: -159.790594 where: bonds (distance) C4'-P energy: -46.482 bonds (distance) P-C4' energy: -52.725 flat angles C4'-P-C4' energy: -39.796 flat angles P-C4'-P energy: -27.793 tors. eta vs tors. theta energy: 7.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -247.109609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.109609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.109609 (E_RNA) where: Base-Base interactions energy: -91.969 where: short stacking energy: -85.408 Base-Backbone interact. energy: 0.489 local terms energy: -155.629623 where: bonds (distance) C4'-P energy: -47.917 bonds (distance) P-C4' energy: -51.044 flat angles C4'-P-C4' energy: -46.006 flat angles P-C4'-P energy: -18.618 tors. eta vs tors. theta energy: 7.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1023.992707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.992707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.992707 (E_RNA) where: Base-Base interactions energy: -688.603 where: short stacking energy: -308.881 Base-Backbone interact. energy: -1.808 local terms energy: -333.581543 where: bonds (distance) C4'-P energy: -61.544 bonds (distance) P-C4' energy: -52.110 flat angles C4'-P-C4' energy: -77.685 flat angles P-C4'-P energy: -47.058 tors. eta vs tors. theta energy: -95.184 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: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -943.866502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.866502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.866502 (E_RNA) where: Base-Base interactions energy: -629.684 where: short stacking energy: -265.251 Base-Backbone interact. energy: -1.113 local terms energy: -313.069566 where: bonds (distance) C4'-P energy: -62.169 bonds (distance) P-C4' energy: -62.548 flat angles C4'-P-C4' energy: -68.463 flat angles P-C4'-P energy: -40.531 tors. eta vs tors. theta energy: -79.358 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: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -879.834527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.834527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.834527 (E_RNA) where: Base-Base interactions energy: -584.790 where: short stacking energy: -245.771 Base-Backbone interact. energy: 1.740 local terms energy: -296.784004 where: bonds (distance) C4'-P energy: -56.731 bonds (distance) P-C4' energy: -67.767 flat angles C4'-P-C4' energy: -58.599 flat angles P-C4'-P energy: -45.951 tors. eta vs tors. theta energy: -67.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -735.302409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.302409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.302409 (E_RNA) where: Base-Base interactions energy: -473.180 where: short stacking energy: -190.399 Base-Backbone interact. energy: -0.691 local terms energy: -261.431118 where: bonds (distance) C4'-P energy: -57.935 bonds (distance) P-C4' energy: -65.449 flat angles C4'-P-C4' energy: -53.141 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -43.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -750.908146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.908146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.908146 (E_RNA) where: Base-Base interactions energy: -502.003 where: short stacking energy: -237.021 Base-Backbone interact. energy: 2.039 local terms energy: -250.943988 where: bonds (distance) C4'-P energy: -53.206 bonds (distance) P-C4' energy: -47.456 flat angles C4'-P-C4' energy: -58.426 flat angles P-C4'-P energy: -38.006 tors. eta vs tors. theta energy: -53.849 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: 7 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -662.113078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.113078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.113078 (E_RNA) where: Base-Base interactions energy: -411.624 where: short stacking energy: -184.620 Base-Backbone interact. energy: 2.784 local terms energy: -253.272476 where: bonds (distance) C4'-P energy: -49.685 bonds (distance) P-C4' energy: -54.965 flat angles C4'-P-C4' energy: -59.048 flat angles P-C4'-P energy: -39.310 tors. eta vs tors. theta energy: -50.265 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: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -497.836152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.836152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.836152 (E_RNA) where: Base-Base interactions energy: -267.157 where: short stacking energy: -146.779 Base-Backbone interact. energy: -0.945 local terms energy: -229.734535 where: bonds (distance) C4'-P energy: -57.528 bonds (distance) P-C4' energy: -62.018 flat angles C4'-P-C4' energy: -52.864 flat angles P-C4'-P energy: -33.720 tors. eta vs tors. theta energy: -23.604 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: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -480.627378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.627378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.627378 (E_RNA) where: Base-Base interactions energy: -252.066 where: short stacking energy: -128.854 Base-Backbone interact. energy: -0.080 local terms energy: -228.481011 where: bonds (distance) C4'-P energy: -59.664 bonds (distance) P-C4' energy: -58.416 flat angles C4'-P-C4' energy: -52.447 flat angles P-C4'-P energy: -28.108 tors. eta vs tors. theta energy: -29.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -336.797411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.797411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.797411 (E_RNA) where: Base-Base interactions energy: -165.891 where: short stacking energy: -102.732 Base-Backbone interact. energy: -2.701 local terms energy: -168.206259 where: bonds (distance) C4'-P energy: -54.487 bonds (distance) P-C4' energy: -44.189 flat angles C4'-P-C4' energy: -51.918 flat angles P-C4'-P energy: -23.609 tors. eta vs tors. theta energy: 5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -255.609455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.609455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.609455 (E_RNA) where: Base-Base interactions energy: -82.939 where: short stacking energy: -69.155 Base-Backbone interact. energy: 1.810 local terms energy: -174.480661 where: bonds (distance) C4'-P energy: -47.094 bonds (distance) P-C4' energy: -51.836 flat angles C4'-P-C4' energy: -46.862 flat angles P-C4'-P energy: -30.973 tors. eta vs tors. theta energy: 2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1033.194554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.194554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.194554 (E_RNA) where: Base-Base interactions energy: -682.842 where: short stacking energy: -292.274 Base-Backbone interact. energy: -1.432 local terms energy: -348.920260 where: bonds (distance) C4'-P energy: -68.810 bonds (distance) P-C4' energy: -69.381 flat angles C4'-P-C4' energy: -66.578 flat angles P-C4'-P energy: -58.471 tors. eta vs tors. theta energy: -85.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -927.676119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.676119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.676119 (E_RNA) where: Base-Base interactions energy: -618.706 where: short stacking energy: -261.594 Base-Backbone interact. energy: -0.799 local terms energy: -308.170706 where: bonds (distance) C4'-P energy: -57.436 bonds (distance) P-C4' energy: -57.839 flat angles C4'-P-C4' energy: -66.476 flat angles P-C4'-P energy: -45.908 tors. eta vs tors. theta energy: -80.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -893.953154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.953154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.953154 (E_RNA) where: Base-Base interactions energy: -599.733 where: short stacking energy: -260.202 Base-Backbone interact. energy: -1.226 local terms energy: -292.994787 where: bonds (distance) C4'-P energy: -52.303 bonds (distance) P-C4' energy: -67.289 flat angles C4'-P-C4' energy: -66.120 flat angles P-C4'-P energy: -33.681 tors. eta vs tors. theta energy: -73.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -756.373119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.373119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.373119 (E_RNA) where: Base-Base interactions energy: -464.543 where: short stacking energy: -213.299 Base-Backbone interact. energy: -1.862 local terms energy: -289.968410 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -60.331 flat angles C4'-P-C4' energy: -66.555 flat angles P-C4'-P energy: -37.173 tors. eta vs tors. theta energy: -65.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -805.823266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.823266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.823266 (E_RNA) where: Base-Base interactions energy: -528.945 where: short stacking energy: -244.181 Base-Backbone interact. energy: -0.675 local terms energy: -276.203392 where: bonds (distance) C4'-P energy: -47.947 bonds (distance) P-C4' energy: -48.356 flat angles C4'-P-C4' energy: -64.295 flat angles P-C4'-P energy: -45.679 tors. eta vs tors. theta energy: -69.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -610.185736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.185736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.185736 (E_RNA) where: Base-Base interactions energy: -351.772 where: short stacking energy: -173.991 Base-Backbone interact. energy: -0.353 local terms energy: -258.060823 where: bonds (distance) C4'-P energy: -67.797 bonds (distance) P-C4' energy: -51.695 flat angles C4'-P-C4' energy: -63.351 flat angles P-C4'-P energy: -39.749 tors. eta vs tors. theta energy: -35.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -528.438702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.438702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.438702 (E_RNA) where: Base-Base interactions energy: -293.796 where: short stacking energy: -153.352 Base-Backbone interact. energy: 2.185 local terms energy: -236.828066 where: bonds (distance) C4'-P energy: -48.437 bonds (distance) P-C4' energy: -63.894 flat angles C4'-P-C4' energy: -49.848 flat angles P-C4'-P energy: -38.722 tors. eta vs tors. theta energy: -35.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -445.941218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.941218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.941218 (E_RNA) where: Base-Base interactions energy: -236.314 where: short stacking energy: -112.983 Base-Backbone interact. energy: 1.162 local terms energy: -210.788986 where: bonds (distance) C4'-P energy: -57.428 bonds (distance) P-C4' energy: -63.357 flat angles C4'-P-C4' energy: -54.126 flat angles P-C4'-P energy: -20.124 tors. eta vs tors. theta energy: -15.755 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: 3 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -349.768474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.768474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.768474 (E_RNA) where: Base-Base interactions energy: -172.484 where: short stacking energy: -89.407 Base-Backbone interact. energy: 2.808 local terms energy: -180.092439 where: bonds (distance) C4'-P energy: -45.039 bonds (distance) P-C4' energy: -54.195 flat angles C4'-P-C4' energy: -42.993 flat angles P-C4'-P energy: -31.447 tors. eta vs tors. theta energy: -6.418 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: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -258.461116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.461116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.461116 (E_RNA) where: Base-Base interactions energy: -98.417 where: short stacking energy: -65.833 Base-Backbone interact. energy: 2.204 local terms energy: -162.248397 where: bonds (distance) C4'-P energy: -52.229 bonds (distance) P-C4' energy: -58.840 flat angles C4'-P-C4' energy: -34.509 flat angles P-C4'-P energy: -20.912 tors. eta vs tors. theta energy: 4.242 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: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1032.013931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.013931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.013931 (E_RNA) where: Base-Base interactions energy: -697.907 where: short stacking energy: -292.149 Base-Backbone interact. energy: -0.070 local terms energy: -334.036961 where: bonds (distance) C4'-P energy: -60.555 bonds (distance) P-C4' energy: -57.939 flat angles C4'-P-C4' energy: -78.521 flat angles P-C4'-P energy: -43.340 tors. eta vs tors. theta energy: -93.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -944.967728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.967728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.967728 (E_RNA) where: Base-Base interactions energy: -634.874 where: short stacking energy: -270.782 Base-Backbone interact. energy: -1.311 local terms energy: -308.782486 where: bonds (distance) C4'-P energy: -65.501 bonds (distance) P-C4' energy: -51.532 flat angles C4'-P-C4' energy: -66.167 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -78.089 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: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -903.292772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.292772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.292772 (E_RNA) where: Base-Base interactions energy: -587.294 where: short stacking energy: -260.543 Base-Backbone interact. energy: 1.521 local terms energy: -317.520251 where: bonds (distance) C4'-P energy: -57.558 bonds (distance) P-C4' energy: -67.637 flat angles C4'-P-C4' energy: -68.786 flat angles P-C4'-P energy: -42.394 tors. eta vs tors. theta energy: -81.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -853.343789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.343789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.343789 (E_RNA) where: Base-Base interactions energy: -559.419 where: short stacking energy: -267.970 Base-Backbone interact. energy: -0.818 local terms energy: -293.107373 where: bonds (distance) C4'-P energy: -54.308 bonds (distance) P-C4' energy: -60.987 flat angles C4'-P-C4' energy: -59.495 flat angles P-C4'-P energy: -38.246 tors. eta vs tors. theta energy: -80.071 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: 10 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -757.322480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.322480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.322480 (E_RNA) where: Base-Base interactions energy: -490.561 where: short stacking energy: -211.524 Base-Backbone interact. energy: -1.892 local terms energy: -264.869148 where: bonds (distance) C4'-P energy: -50.573 bonds (distance) P-C4' energy: -63.452 flat angles C4'-P-C4' energy: -60.352 flat angles P-C4'-P energy: -36.154 tors. eta vs tors. theta energy: -54.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -615.148985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.148985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.148985 (E_RNA) where: Base-Base interactions energy: -367.188 where: short stacking energy: -178.218 Base-Backbone interact. energy: 0.934 local terms energy: -248.895344 where: bonds (distance) C4'-P energy: -52.968 bonds (distance) P-C4' energy: -53.389 flat angles C4'-P-C4' energy: -54.517 flat angles P-C4'-P energy: -40.811 tors. eta vs tors. theta energy: -47.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -516.185164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.185164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.185164 (E_RNA) where: Base-Base interactions energy: -309.156 where: short stacking energy: -164.885 Base-Backbone interact. energy: 4.983 local terms energy: -212.012015 where: bonds (distance) C4'-P energy: -52.174 bonds (distance) P-C4' energy: -54.618 flat angles C4'-P-C4' energy: -50.837 flat angles P-C4'-P energy: -30.849 tors. eta vs tors. theta energy: -23.534 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: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -515.531424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.531424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.531424 (E_RNA) where: Base-Base interactions energy: -296.594 where: short stacking energy: -135.132 Base-Backbone interact. energy: 1.606 local terms energy: -220.543090 where: bonds (distance) C4'-P energy: -47.436 bonds (distance) P-C4' energy: -53.929 flat angles C4'-P-C4' energy: -61.983 flat angles P-C4'-P energy: -38.622 tors. eta vs tors. theta energy: -18.573 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: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -363.569949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.569949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.569949 (E_RNA) where: Base-Base interactions energy: -175.935 where: short stacking energy: -100.099 Base-Backbone interact. energy: 0.562 local terms energy: -188.196869 where: bonds (distance) C4'-P energy: -51.910 bonds (distance) P-C4' energy: -53.642 flat angles C4'-P-C4' energy: -52.504 flat angles P-C4'-P energy: -30.586 tors. eta vs tors. theta energy: 0.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -265.706118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.706118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.706118 (E_RNA) where: Base-Base interactions energy: -79.193 where: short stacking energy: -69.262 Base-Backbone interact. energy: -1.010 local terms energy: -185.503027 where: bonds (distance) C4'-P energy: -46.512 bonds (distance) P-C4' energy: -60.876 flat angles C4'-P-C4' energy: -45.005 flat angles P-C4'-P energy: -39.266 tors. eta vs tors. theta energy: 6.157 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: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1039.713805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.713805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.713805 (E_RNA) where: Base-Base interactions energy: -722.466 where: short stacking energy: -312.233 Base-Backbone interact. energy: -0.686 local terms energy: -316.561451 where: bonds (distance) C4'-P energy: -52.822 bonds (distance) P-C4' energy: -64.832 flat angles C4'-P-C4' energy: -65.890 flat angles P-C4'-P energy: -44.807 tors. eta vs tors. theta energy: -88.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -907.033177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.033177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.033177 (E_RNA) where: Base-Base interactions energy: -604.764 where: short stacking energy: -260.143 Base-Backbone interact. energy: -1.621 local terms energy: -300.648229 where: bonds (distance) C4'-P energy: -57.813 bonds (distance) P-C4' energy: -55.640 flat angles C4'-P-C4' energy: -67.985 flat angles P-C4'-P energy: -45.636 tors. eta vs tors. theta energy: -73.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -883.752491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.752491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.752491 (E_RNA) where: Base-Base interactions energy: -581.866 where: short stacking energy: -251.771 Base-Backbone interact. energy: -2.527 local terms energy: -299.359756 where: bonds (distance) C4'-P energy: -69.521 bonds (distance) P-C4' energy: -50.991 flat angles C4'-P-C4' energy: -62.422 flat angles P-C4'-P energy: -42.176 tors. eta vs tors. theta energy: -74.249 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: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -888.536002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.536002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.536002 (E_RNA) where: Base-Base interactions energy: -565.895 where: short stacking energy: -257.840 Base-Backbone interact. energy: -0.559 local terms energy: -322.082525 where: bonds (distance) C4'-P energy: -53.984 bonds (distance) P-C4' energy: -61.285 flat angles C4'-P-C4' energy: -72.213 flat angles P-C4'-P energy: -49.509 tors. eta vs tors. theta energy: -85.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -780.657841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.657841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.657841 (E_RNA) where: Base-Base interactions energy: -505.734 where: short stacking energy: -212.943 Base-Backbone interact. energy: -1.126 local terms energy: -273.797628 where: bonds (distance) C4'-P energy: -48.992 bonds (distance) P-C4' energy: -62.740 flat angles C4'-P-C4' energy: -56.780 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: -58.143 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: 7 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -586.132877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.132877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.132877 (E_RNA) where: Base-Base interactions energy: -333.594 where: short stacking energy: -162.357 Base-Backbone interact. energy: 1.799 local terms energy: -254.337434 where: bonds (distance) C4'-P energy: -66.794 bonds (distance) P-C4' energy: -62.178 flat angles C4'-P-C4' energy: -59.676 flat angles P-C4'-P energy: -39.520 tors. eta vs tors. theta energy: -26.170 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: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -482.253666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.253666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.253666 (E_RNA) where: Base-Base interactions energy: -252.422 where: short stacking energy: -140.795 Base-Backbone interact. energy: -1.726 local terms energy: -228.105812 where: bonds (distance) C4'-P energy: -57.703 bonds (distance) P-C4' energy: -60.492 flat angles C4'-P-C4' energy: -53.583 flat angles P-C4'-P energy: -34.684 tors. eta vs tors. theta energy: -21.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -495.541042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.541042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.541042 (E_RNA) where: Base-Base interactions energy: -293.339 where: short stacking energy: -134.709 Base-Backbone interact. energy: 1.952 local terms energy: -204.154273 where: bonds (distance) C4'-P energy: -55.984 bonds (distance) P-C4' energy: -43.291 flat angles C4'-P-C4' energy: -52.108 flat angles P-C4'-P energy: -33.366 tors. eta vs tors. theta energy: -19.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -354.926385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.926385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.926385 (E_RNA) where: Base-Base interactions energy: -150.964 where: short stacking energy: -93.730 Base-Backbone interact. energy: -0.048 local terms energy: -203.914625 where: bonds (distance) C4'-P energy: -56.504 bonds (distance) P-C4' energy: -65.339 flat angles C4'-P-C4' energy: -38.536 flat angles P-C4'-P energy: -31.745 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -271.676007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.676007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.676007 (E_RNA) where: Base-Base interactions energy: -106.396 where: short stacking energy: -86.491 Base-Backbone interact. energy: 0.636 local terms energy: -165.915818 where: bonds (distance) C4'-P energy: -51.645 bonds (distance) P-C4' energy: -40.882 flat angles C4'-P-C4' energy: -48.375 flat angles P-C4'-P energy: -35.578 tors. eta vs tors. theta energy: 10.564 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: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1047.565780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.565780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.565780 (E_RNA) where: Base-Base interactions energy: -730.206 where: short stacking energy: -290.828 Base-Backbone interact. energy: 0.191 local terms energy: -317.550331 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -67.640 flat angles P-C4'-P energy: -46.479 tors. eta vs tors. theta energy: -79.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -899.689504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.689504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.689504 (E_RNA) where: Base-Base interactions energy: -609.470 where: short stacking energy: -263.598 Base-Backbone interact. energy: -1.610 local terms energy: -288.609181 where: bonds (distance) C4'-P energy: -54.382 bonds (distance) P-C4' energy: -55.493 flat angles C4'-P-C4' energy: -64.433 flat angles P-C4'-P energy: -43.548 tors. eta vs tors. theta energy: -70.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -913.158865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.158865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.158865 (E_RNA) where: Base-Base interactions energy: -599.721 where: short stacking energy: -250.463 Base-Backbone interact. energy: -1.824 local terms energy: -311.613736 where: bonds (distance) C4'-P energy: -56.724 bonds (distance) P-C4' energy: -67.781 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -46.313 tors. eta vs tors. theta energy: -72.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -785.511472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.511472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.511472 (E_RNA) where: Base-Base interactions energy: -507.924 where: short stacking energy: -204.693 Base-Backbone interact. energy: -1.265 local terms energy: -276.323377 where: bonds (distance) C4'-P energy: -68.699 bonds (distance) P-C4' energy: -59.330 flat angles C4'-P-C4' energy: -51.830 flat angles P-C4'-P energy: -47.178 tors. eta vs tors. theta energy: -49.285 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: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -797.838190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.838190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.838190 (E_RNA) where: Base-Base interactions energy: -522.679 where: short stacking energy: -236.087 Base-Backbone interact. energy: -0.776 local terms energy: -274.383857 where: bonds (distance) C4'-P energy: -53.533 bonds (distance) P-C4' energy: -60.280 flat angles C4'-P-C4' energy: -66.861 flat angles P-C4'-P energy: -38.472 tors. eta vs tors. theta energy: -55.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -597.195496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.195496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.195496 (E_RNA) where: Base-Base interactions energy: -342.889 where: short stacking energy: -175.942 Base-Backbone interact. energy: 0.991 local terms energy: -255.297096 where: bonds (distance) C4'-P energy: -58.313 bonds (distance) P-C4' energy: -55.122 flat angles C4'-P-C4' energy: -56.509 flat angles P-C4'-P energy: -32.778 tors. eta vs tors. theta energy: -52.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -530.052926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.052926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.052926 (E_RNA) where: Base-Base interactions energy: -307.339 where: short stacking energy: -154.383 Base-Backbone interact. energy: -1.082 local terms energy: -221.631427 where: bonds (distance) C4'-P energy: -49.457 bonds (distance) P-C4' energy: -65.598 flat angles C4'-P-C4' energy: -57.261 flat angles P-C4'-P energy: -22.157 tors. eta vs tors. theta energy: -27.158 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: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -444.514662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.514662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.514662 (E_RNA) where: Base-Base interactions energy: -218.244 where: short stacking energy: -105.315 Base-Backbone interact. energy: 1.294 local terms energy: -227.564800 where: bonds (distance) C4'-P energy: -60.542 bonds (distance) P-C4' energy: -65.510 flat angles C4'-P-C4' energy: -56.311 flat angles P-C4'-P energy: -39.144 tors. eta vs tors. theta energy: -6.058 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: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -357.556342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.556342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.556342 (E_RNA) where: Base-Base interactions energy: -174.291 where: short stacking energy: -104.247 Base-Backbone interact. energy: -0.071 local terms energy: -183.194693 where: bonds (distance) C4'-P energy: -39.340 bonds (distance) P-C4' energy: -51.202 flat angles C4'-P-C4' energy: -52.580 flat angles P-C4'-P energy: -35.001 tors. eta vs tors. theta energy: -5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -252.831657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.831657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.831657 (E_RNA) where: Base-Base interactions energy: -84.893 where: short stacking energy: -57.649 Base-Backbone interact. energy: 0.147 local terms energy: -168.085663 where: bonds (distance) C4'-P energy: -49.048 bonds (distance) P-C4' energy: -62.367 flat angles C4'-P-C4' energy: -40.405 flat angles P-C4'-P energy: -30.251 tors. eta vs tors. theta energy: 13.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -998.271038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.271038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.271038 (E_RNA) where: Base-Base interactions energy: -668.654 where: short stacking energy: -277.723 Base-Backbone interact. energy: 1.457 local terms energy: -331.073498 where: bonds (distance) C4'-P energy: -73.688 bonds (distance) P-C4' energy: -57.519 flat angles C4'-P-C4' energy: -67.537 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: -88.782 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: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -944.620992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.620992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.620992 (E_RNA) where: Base-Base interactions energy: -638.249 where: short stacking energy: -268.251 Base-Backbone interact. energy: -0.035 local terms energy: -306.337093 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -49.446 flat angles C4'-P-C4' energy: -70.211 flat angles P-C4'-P energy: -45.776 tors. eta vs tors. theta energy: -76.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -900.050143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.050143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.050143 (E_RNA) where: Base-Base interactions energy: -593.937 where: short stacking energy: -264.691 Base-Backbone interact. energy: -0.254 local terms energy: -305.859721 where: bonds (distance) C4'-P energy: -65.237 bonds (distance) P-C4' energy: -63.519 flat angles C4'-P-C4' energy: -63.798 flat angles P-C4'-P energy: -31.786 tors. eta vs tors. theta energy: -81.520 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: 4, replica: 10 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -768.064940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.064940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.064940 (E_RNA) where: Base-Base interactions energy: -498.624 where: short stacking energy: -208.498 Base-Backbone interact. energy: -1.508 local terms energy: -267.932644 where: bonds (distance) C4'-P energy: -59.322 bonds (distance) P-C4' energy: -56.496 flat angles C4'-P-C4' energy: -57.295 flat angles P-C4'-P energy: -38.545 tors. eta vs tors. theta energy: -56.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -810.703820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.703820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.703820 (E_RNA) where: Base-Base interactions energy: -530.321 where: short stacking energy: -224.922 Base-Backbone interact. energy: -0.700 local terms energy: -279.682538 where: bonds (distance) C4'-P energy: -59.015 bonds (distance) P-C4' energy: -61.944 flat angles C4'-P-C4' energy: -65.719 flat angles P-C4'-P energy: -35.672 tors. eta vs tors. theta energy: -57.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -615.326188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.326188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.326188 (E_RNA) where: Base-Base interactions energy: -360.416 where: short stacking energy: -169.384 Base-Backbone interact. energy: -1.347 local terms energy: -253.564073 where: bonds (distance) C4'-P energy: -61.289 bonds (distance) P-C4' energy: -53.191 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -31.515 tors. eta vs tors. theta energy: -43.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -508.766562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.766562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.766562 (E_RNA) where: Base-Base interactions energy: -283.668 where: short stacking energy: -135.104 Base-Backbone interact. energy: 2.007 local terms energy: -227.105875 where: bonds (distance) C4'-P energy: -54.930 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -59.645 flat angles P-C4'-P energy: -36.975 tors. eta vs tors. theta energy: -16.410 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: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -479.485962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.485962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.485962 (E_RNA) where: Base-Base interactions energy: -255.848 where: short stacking energy: -148.153 Base-Backbone interact. energy: 0.488 local terms energy: -224.126582 where: bonds (distance) C4'-P energy: -64.184 bonds (distance) P-C4' energy: -58.678 flat angles C4'-P-C4' energy: -48.181 flat angles P-C4'-P energy: -25.615 tors. eta vs tors. theta energy: -27.468 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: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -358.706424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.706424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.706424 (E_RNA) where: Base-Base interactions energy: -177.561 where: short stacking energy: -105.229 Base-Backbone interact. energy: 4.737 local terms energy: -185.882490 where: bonds (distance) C4'-P energy: -52.205 bonds (distance) P-C4' energy: -55.359 flat angles C4'-P-C4' energy: -40.686 flat angles P-C4'-P energy: -39.752 tors. eta vs tors. theta energy: 2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -275.273921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.273921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.273921 (E_RNA) where: Base-Base interactions energy: -112.299 where: short stacking energy: -65.874 Base-Backbone interact. energy: -1.877 local terms energy: -161.098114 where: bonds (distance) C4'-P energy: -54.327 bonds (distance) P-C4' energy: -44.675 flat angles C4'-P-C4' energy: -47.760 flat angles P-C4'-P energy: -28.010 tors. eta vs tors. theta energy: 13.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -992.215611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.215611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.215611 (E_RNA) where: Base-Base interactions energy: -660.627 where: short stacking energy: -279.642 Base-Backbone interact. energy: -0.850 local terms energy: -330.739411 where: bonds (distance) C4'-P energy: -64.372 bonds (distance) P-C4' energy: -65.697 flat angles C4'-P-C4' energy: -64.805 flat angles P-C4'-P energy: -51.705 tors. eta vs tors. theta energy: -84.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -948.568606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.568606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.568606 (E_RNA) where: Base-Base interactions energy: -634.658 where: short stacking energy: -284.082 Base-Backbone interact. energy: -0.077 local terms energy: -313.833202 where: bonds (distance) C4'-P energy: -57.437 bonds (distance) P-C4' energy: -66.609 flat angles C4'-P-C4' energy: -68.854 flat angles P-C4'-P energy: -40.151 tors. eta vs tors. theta energy: -80.783 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: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -905.292428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.292428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.292428 (E_RNA) where: Base-Base interactions energy: -612.048 where: short stacking energy: -248.544 Base-Backbone interact. energy: 5.428 local terms energy: -298.672836 where: bonds (distance) C4'-P energy: -61.170 bonds (distance) P-C4' energy: -64.942 flat angles C4'-P-C4' energy: -62.459 flat angles P-C4'-P energy: -45.375 tors. eta vs tors. theta energy: -64.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -831.521297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.521297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.521297 (E_RNA) where: Base-Base interactions energy: -537.185 where: short stacking energy: -233.376 Base-Backbone interact. energy: -0.281 local terms energy: -294.055270 where: bonds (distance) C4'-P energy: -53.532 bonds (distance) P-C4' energy: -58.925 flat angles C4'-P-C4' energy: -67.055 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: -62.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -724.882792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.882792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.882792 (E_RNA) where: Base-Base interactions energy: -470.702 where: short stacking energy: -219.149 Base-Backbone interact. energy: -0.851 local terms energy: -253.330094 where: bonds (distance) C4'-P energy: -53.112 bonds (distance) P-C4' energy: -49.071 flat angles C4'-P-C4' energy: -55.786 flat angles P-C4'-P energy: -37.272 tors. eta vs tors. theta energy: -58.089 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: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -632.096858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.096858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.096858 (E_RNA) where: Base-Base interactions energy: -376.930 where: short stacking energy: -199.774 Base-Backbone interact. energy: -1.790 local terms energy: -253.377347 where: bonds (distance) C4'-P energy: -57.925 bonds (distance) P-C4' energy: -55.109 flat angles C4'-P-C4' energy: -51.368 flat angles P-C4'-P energy: -34.057 tors. eta vs tors. theta energy: -54.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -506.287074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.287074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.287074 (E_RNA) where: Base-Base interactions energy: -263.996 where: short stacking energy: -129.891 Base-Backbone interact. energy: -0.441 local terms energy: -241.850144 where: bonds (distance) C4'-P energy: -59.024 bonds (distance) P-C4' energy: -64.577 flat angles C4'-P-C4' energy: -48.331 flat angles P-C4'-P energy: -39.625 tors. eta vs tors. theta energy: -30.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -498.103766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.103766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.103766 (E_RNA) where: Base-Base interactions energy: -283.919 where: short stacking energy: -126.655 Base-Backbone interact. energy: -1.130 local terms energy: -213.054936 where: bonds (distance) C4'-P energy: -51.782 bonds (distance) P-C4' energy: -61.732 flat angles C4'-P-C4' energy: -55.440 flat angles P-C4'-P energy: -27.491 tors. eta vs tors. theta energy: -16.610 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: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -353.958927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.958927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.958927 (E_RNA) where: Base-Base interactions energy: -163.992 where: short stacking energy: -88.499 Base-Backbone interact. energy: 0.140 local terms energy: -190.106831 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -58.549 flat angles C4'-P-C4' energy: -47.706 flat angles P-C4'-P energy: -23.864 tors. eta vs tors. theta energy: 1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -261.530776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.530776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.530776 (E_RNA) where: Base-Base interactions energy: -93.822 where: short stacking energy: -60.443 Base-Backbone interact. energy: -0.124 local terms energy: -167.585021 where: bonds (distance) C4'-P energy: -55.367 bonds (distance) P-C4' energy: -66.240 flat angles C4'-P-C4' energy: -40.039 flat angles P-C4'-P energy: -16.621 tors. eta vs tors. theta energy: 10.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -997.723249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.723249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.723249 (E_RNA) where: Base-Base interactions energy: -657.169 where: short stacking energy: -289.347 Base-Backbone interact. energy: -2.290 local terms energy: -338.264443 where: bonds (distance) C4'-P energy: -65.492 bonds (distance) P-C4' energy: -77.383 flat angles C4'-P-C4' energy: -70.777 flat angles P-C4'-P energy: -39.574 tors. eta vs tors. theta energy: -85.038 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: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -964.848755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.848755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.848755 (E_RNA) where: Base-Base interactions energy: -649.782 where: short stacking energy: -254.996 Base-Backbone interact. energy: -1.442 local terms energy: -313.624965 where: bonds (distance) C4'-P energy: -63.482 bonds (distance) P-C4' energy: -54.490 flat angles C4'-P-C4' energy: -67.480 flat angles P-C4'-P energy: -49.309 tors. eta vs tors. theta energy: -78.863 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: 56 Temperature: 1.000000 Total energy: -872.988614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.988614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.988614 (E_RNA) where: Base-Base interactions energy: -567.543 where: short stacking energy: -258.537 Base-Backbone interact. energy: -1.795 local terms energy: -303.650933 where: bonds (distance) C4'-P energy: -61.576 bonds (distance) P-C4' energy: -61.939 flat angles C4'-P-C4' energy: -59.461 flat angles P-C4'-P energy: -40.754 tors. eta vs tors. theta energy: -79.921 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: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -870.446375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.446375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.446375 (E_RNA) where: Base-Base interactions energy: -602.313 where: short stacking energy: -239.212 Base-Backbone interact. energy: -1.886 local terms energy: -266.247157 where: bonds (distance) C4'-P energy: -60.484 bonds (distance) P-C4' energy: -43.646 flat angles C4'-P-C4' energy: -65.861 flat angles P-C4'-P energy: -38.747 tors. eta vs tors. theta energy: -57.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -727.210986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.210986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.210986 (E_RNA) where: Base-Base interactions energy: -452.762 where: short stacking energy: -202.422 Base-Backbone interact. energy: -0.376 local terms energy: -274.072637 where: bonds (distance) C4'-P energy: -48.509 bonds (distance) P-C4' energy: -60.132 flat angles C4'-P-C4' energy: -67.622 flat angles P-C4'-P energy: -38.837 tors. eta vs tors. theta energy: -58.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -653.642078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.642078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.642078 (E_RNA) where: Base-Base interactions energy: -404.281 where: short stacking energy: -192.915 Base-Backbone interact. energy: -1.072 local terms energy: -248.289642 where: bonds (distance) C4'-P energy: -49.042 bonds (distance) P-C4' energy: -63.672 flat angles C4'-P-C4' energy: -58.696 flat angles P-C4'-P energy: -35.196 tors. eta vs tors. theta energy: -41.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -540.770390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.770390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.770390 (E_RNA) where: Base-Base interactions energy: -324.772 where: short stacking energy: -160.135 Base-Backbone interact. energy: -1.491 local terms energy: -214.507988 where: bonds (distance) C4'-P energy: -49.201 bonds (distance) P-C4' energy: -52.526 flat angles C4'-P-C4' energy: -44.580 flat angles P-C4'-P energy: -32.812 tors. eta vs tors. theta energy: -35.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -541.742036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.742036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.742036 (E_RNA) where: Base-Base interactions energy: -308.449 where: short stacking energy: -145.058 Base-Backbone interact. energy: -3.653 local terms energy: -229.640501 where: bonds (distance) C4'-P energy: -48.565 bonds (distance) P-C4' energy: -56.324 flat angles C4'-P-C4' energy: -54.548 flat angles P-C4'-P energy: -36.748 tors. eta vs tors. theta energy: -33.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -372.979420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.979420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.979420 (E_RNA) where: Base-Base interactions energy: -206.963 where: short stacking energy: -111.227 Base-Backbone interact. energy: 2.858 local terms energy: -168.874135 where: bonds (distance) C4'-P energy: -54.718 bonds (distance) P-C4' energy: -43.237 flat angles C4'-P-C4' energy: -41.225 flat angles P-C4'-P energy: -24.305 tors. eta vs tors. theta energy: -5.389 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: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -272.000019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.000019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.000019 (E_RNA) where: Base-Base interactions energy: -109.551 where: short stacking energy: -84.199 Base-Backbone interact. energy: -0.151 local terms energy: -162.298086 where: bonds (distance) C4'-P energy: -38.088 bonds (distance) P-C4' energy: -47.736 flat angles C4'-P-C4' energy: -48.173 flat angles P-C4'-P energy: -37.904 tors. eta vs tors. theta energy: 9.603 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: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1006.084324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.084324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.084324 (E_RNA) where: Base-Base interactions energy: -684.106 where: short stacking energy: -291.083 Base-Backbone interact. energy: 1.034 local terms energy: -323.012810 where: bonds (distance) C4'-P energy: -61.386 bonds (distance) P-C4' energy: -63.138 flat angles C4'-P-C4' energy: -70.780 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: -83.676 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: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -962.826648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.826648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.826648 (E_RNA) where: Base-Base interactions energy: -624.757 where: short stacking energy: -261.619 Base-Backbone interact. energy: 1.850 local terms energy: -339.919377 where: bonds (distance) C4'-P energy: -64.921 bonds (distance) P-C4' energy: -67.210 flat angles C4'-P-C4' energy: -68.922 flat angles P-C4'-P energy: -51.744 tors. eta vs tors. theta energy: -87.122 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: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -869.164050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.164050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.164050 (E_RNA) where: Base-Base interactions energy: -579.524 where: short stacking energy: -261.108 Base-Backbone interact. energy: -1.205 local terms energy: -288.435332 where: bonds (distance) C4'-P energy: -52.079 bonds (distance) P-C4' energy: -55.871 flat angles C4'-P-C4' energy: -63.872 flat angles P-C4'-P energy: -48.808 tors. eta vs tors. theta energy: -67.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -836.038871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.038871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.038871 (E_RNA) where: Base-Base interactions energy: -556.904 where: short stacking energy: -253.246 Base-Backbone interact. energy: -0.330 local terms energy: -278.804205 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -58.453 flat angles C4'-P-C4' energy: -67.181 flat angles P-C4'-P energy: -34.057 tors. eta vs tors. theta energy: -60.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -734.306185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.306185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.306185 (E_RNA) where: Base-Base interactions energy: -485.642 where: short stacking energy: -205.277 Base-Backbone interact. energy: -0.551 local terms energy: -248.113068 where: bonds (distance) C4'-P energy: -53.325 bonds (distance) P-C4' energy: -53.406 flat angles C4'-P-C4' energy: -53.366 flat angles P-C4'-P energy: -39.986 tors. eta vs tors. theta energy: -48.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -620.768989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.768989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.768989 (E_RNA) where: Base-Base interactions energy: -373.987 where: short stacking energy: -177.781 Base-Backbone interact. energy: 0.541 local terms energy: -247.322291 where: bonds (distance) C4'-P energy: -56.570 bonds (distance) P-C4' energy: -55.750 flat angles C4'-P-C4' energy: -64.084 flat angles P-C4'-P energy: -34.221 tors. eta vs tors. theta energy: -36.698 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: 4 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -511.830915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.830915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.830915 (E_RNA) where: Base-Base interactions energy: -268.937 where: short stacking energy: -139.452 Base-Backbone interact. energy: -2.027 local terms energy: -240.866345 where: bonds (distance) C4'-P energy: -55.604 bonds (distance) P-C4' energy: -50.906 flat angles C4'-P-C4' energy: -47.302 flat angles P-C4'-P energy: -45.182 tors. eta vs tors. theta energy: -41.872 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: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -523.776334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.776334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.776334 (E_RNA) where: Base-Base interactions energy: -314.633 where: short stacking energy: -162.461 Base-Backbone interact. energy: -0.857 local terms energy: -208.287139 where: bonds (distance) C4'-P energy: -49.733 bonds (distance) P-C4' energy: -59.901 flat angles C4'-P-C4' energy: -45.138 flat angles P-C4'-P energy: -27.228 tors. eta vs tors. theta energy: -26.286 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: 3 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -360.847191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.847191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.847191 (E_RNA) where: Base-Base interactions energy: -157.156 where: short stacking energy: -107.000 Base-Backbone interact. energy: 0.306 local terms energy: -203.996421 where: bonds (distance) C4'-P energy: -45.745 bonds (distance) P-C4' energy: -65.787 flat angles C4'-P-C4' energy: -41.768 flat angles P-C4'-P energy: -38.761 tors. eta vs tors. theta energy: -11.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -275.999197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.999197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.999197 (E_RNA) where: Base-Base interactions energy: -88.723 where: short stacking energy: -76.294 Base-Backbone interact. energy: -1.261 local terms energy: -186.015850 where: bonds (distance) C4'-P energy: -55.709 bonds (distance) P-C4' energy: -59.418 flat angles C4'-P-C4' energy: -52.277 flat angles P-C4'-P energy: -21.009 tors. eta vs tors. theta energy: 2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1030.796780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.796780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.796780 (E_RNA) where: Base-Base interactions energy: -691.873 where: short stacking energy: -284.060 Base-Backbone interact. energy: 0.831 local terms energy: -339.754149 where: bonds (distance) C4'-P energy: -61.986 bonds (distance) P-C4' energy: -69.211 flat angles C4'-P-C4' energy: -72.064 flat angles P-C4'-P energy: -53.931 tors. eta vs tors. theta energy: -82.562 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: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -942.172517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.172517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.172517 (E_RNA) where: Base-Base interactions energy: -632.004 where: short stacking energy: -267.759 Base-Backbone interact. energy: -1.754 local terms energy: -308.413978 where: bonds (distance) C4'-P energy: -58.908 bonds (distance) P-C4' energy: -65.666 flat angles C4'-P-C4' energy: -62.739 flat angles P-C4'-P energy: -42.444 tors. eta vs tors. theta energy: -78.657 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: 58 Temperature: 1.000000 Total energy: -890.620517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.620517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.620517 (E_RNA) where: Base-Base interactions energy: -578.708 where: short stacking energy: -263.941 Base-Backbone interact. energy: -1.132 local terms energy: -310.780364 where: bonds (distance) C4'-P energy: -60.779 bonds (distance) P-C4' energy: -64.071 flat angles C4'-P-C4' energy: -63.953 flat angles P-C4'-P energy: -43.387 tors. eta vs tors. theta energy: -78.591 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: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -782.158284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.158284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.158284 (E_RNA) where: Base-Base interactions energy: -503.589 where: short stacking energy: -219.408 Base-Backbone interact. energy: -2.204 local terms energy: -276.365074 where: bonds (distance) C4'-P energy: -57.087 bonds (distance) P-C4' energy: -69.581 flat angles C4'-P-C4' energy: -64.521 flat angles P-C4'-P energy: -28.898 tors. eta vs tors. theta energy: -56.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -787.523646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.523646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.523646 (E_RNA) where: Base-Base interactions energy: -498.009 where: short stacking energy: -206.335 Base-Backbone interact. energy: -1.450 local terms energy: -288.064352 where: bonds (distance) C4'-P energy: -64.173 bonds (distance) P-C4' energy: -65.211 flat angles C4'-P-C4' energy: -72.374 flat angles P-C4'-P energy: -27.685 tors. eta vs tors. theta energy: -58.622 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: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -626.898963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.898963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.898963 (E_RNA) where: Base-Base interactions energy: -366.072 where: short stacking energy: -189.038 Base-Backbone interact. energy: -0.939 local terms energy: -259.887189 where: bonds (distance) C4'-P energy: -63.766 bonds (distance) P-C4' energy: -58.350 flat angles C4'-P-C4' energy: -53.996 flat angles P-C4'-P energy: -35.062 tors. eta vs tors. theta energy: -48.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -498.408418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.408418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.408418 (E_RNA) where: Base-Base interactions energy: -276.524 where: short stacking energy: -145.840 Base-Backbone interact. energy: 1.112 local terms energy: -222.996575 where: bonds (distance) C4'-P energy: -51.761 bonds (distance) P-C4' energy: -49.613 flat angles C4'-P-C4' energy: -54.385 flat angles P-C4'-P energy: -41.406 tors. eta vs tors. theta energy: -25.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -488.848841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.848841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.848841 (E_RNA) where: Base-Base interactions energy: -276.568 where: short stacking energy: -150.997 Base-Backbone interact. energy: -0.699 local terms energy: -211.581906 where: bonds (distance) C4'-P energy: -54.013 bonds (distance) P-C4' energy: -54.814 flat angles C4'-P-C4' energy: -49.624 flat angles P-C4'-P energy: -31.764 tors. eta vs tors. theta energy: -21.367 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: 3 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -357.273648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.273648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.273648 (E_RNA) where: Base-Base interactions energy: -155.154 where: short stacking energy: -96.827 Base-Backbone interact. energy: -2.602 local terms energy: -199.517125 where: bonds (distance) C4'-P energy: -66.317 bonds (distance) P-C4' energy: -57.398 flat angles C4'-P-C4' energy: -33.875 flat angles P-C4'-P energy: -30.799 tors. eta vs tors. theta energy: -11.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -248.340635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.340635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.340635 (E_RNA) where: Base-Base interactions energy: -78.173 where: short stacking energy: -55.598 Base-Backbone interact. energy: -0.559 local terms energy: -169.608649 where: bonds (distance) C4'-P energy: -52.990 bonds (distance) P-C4' energy: -56.174 flat angles C4'-P-C4' energy: -37.390 flat angles P-C4'-P energy: -31.603 tors. eta vs tors. theta energy: 8.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1029.848612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.848612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.848612 (E_RNA) where: Base-Base interactions energy: -695.484 where: short stacking energy: -274.234 Base-Backbone interact. energy: 0.451 local terms energy: -334.815468 where: bonds (distance) C4'-P energy: -65.017 bonds (distance) P-C4' energy: -70.800 flat angles C4'-P-C4' energy: -66.841 flat angles P-C4'-P energy: -49.068 tors. eta vs tors. theta energy: -83.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -956.580943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.580943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.580943 (E_RNA) where: Base-Base interactions energy: -620.077 where: short stacking energy: -277.737 Base-Backbone interact. energy: -2.034 local terms energy: -334.469510 where: bonds (distance) C4'-P energy: -68.315 bonds (distance) P-C4' energy: -69.155 flat angles C4'-P-C4' energy: -62.511 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: -91.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -881.544739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.544739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.544739 (E_RNA) where: Base-Base interactions energy: -591.430 where: short stacking energy: -247.771 Base-Backbone interact. energy: 2.329 local terms energy: -292.444535 where: bonds (distance) C4'-P energy: -64.664 bonds (distance) P-C4' energy: -61.367 flat angles C4'-P-C4' energy: -62.663 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: -58.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -781.308134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.308134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.308134 (E_RNA) where: Base-Base interactions energy: -507.400 where: short stacking energy: -224.646 Base-Backbone interact. energy: -1.120 local terms energy: -272.788394 where: bonds (distance) C4'-P energy: -56.572 bonds (distance) P-C4' energy: -51.772 flat angles C4'-P-C4' energy: -59.394 flat angles P-C4'-P energy: -46.442 tors. eta vs tors. theta energy: -58.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -711.396367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.396367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.396367 (E_RNA) where: Base-Base interactions energy: -465.586 where: short stacking energy: -193.030 Base-Backbone interact. energy: -1.511 local terms energy: -244.300191 where: bonds (distance) C4'-P energy: -53.824 bonds (distance) P-C4' energy: -47.690 flat angles C4'-P-C4' energy: -61.649 flat angles P-C4'-P energy: -41.103 tors. eta vs tors. theta energy: -40.034 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: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -667.209718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.209718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.209718 (E_RNA) where: Base-Base interactions energy: -417.596 where: short stacking energy: -193.935 Base-Backbone interact. energy: -2.399 local terms energy: -247.215168 where: bonds (distance) C4'-P energy: -51.197 bonds (distance) P-C4' energy: -39.228 flat angles C4'-P-C4' energy: -64.755 flat angles P-C4'-P energy: -44.621 tors. eta vs tors. theta energy: -47.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -511.197405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.197405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.197405 (E_RNA) where: Base-Base interactions energy: -284.071 where: short stacking energy: -161.224 Base-Backbone interact. energy: -0.500 local terms energy: -226.626240 where: bonds (distance) C4'-P energy: -51.813 bonds (distance) P-C4' energy: -60.366 flat angles C4'-P-C4' energy: -55.443 flat angles P-C4'-P energy: -31.368 tors. eta vs tors. theta energy: -27.636 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: 8, replica: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -486.714610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.714610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.714610 (E_RNA) where: Base-Base interactions energy: -270.753 where: short stacking energy: -151.384 Base-Backbone interact. energy: 1.985 local terms energy: -217.946445 where: bonds (distance) C4'-P energy: -51.882 bonds (distance) P-C4' energy: -58.618 flat angles C4'-P-C4' energy: -51.803 flat angles P-C4'-P energy: -29.359 tors. eta vs tors. theta energy: -26.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -378.862422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.862422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.862422 (E_RNA) where: Base-Base interactions energy: -184.031 where: short stacking energy: -102.172 Base-Backbone interact. energy: 5.809 local terms energy: -200.640193 where: bonds (distance) C4'-P energy: -57.417 bonds (distance) P-C4' energy: -59.771 flat angles C4'-P-C4' energy: -51.512 flat angles P-C4'-P energy: -26.026 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: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -236.081908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.081908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.081908 (E_RNA) where: Base-Base interactions energy: -76.801 where: short stacking energy: -58.697 Base-Backbone interact. energy: -1.234 local terms energy: -158.047060 where: bonds (distance) C4'-P energy: -54.594 bonds (distance) P-C4' energy: -50.179 flat angles C4'-P-C4' energy: -35.960 flat angles P-C4'-P energy: -19.717 tors. eta vs tors. theta energy: 2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1011.438616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.438616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.438616 (E_RNA) where: Base-Base interactions energy: -682.428 where: short stacking energy: -272.754 Base-Backbone interact. energy: -0.880 local terms energy: -328.131443 where: bonds (distance) C4'-P energy: -71.219 bonds (distance) P-C4' energy: -50.586 flat angles C4'-P-C4' energy: -68.642 flat angles P-C4'-P energy: -53.101 tors. eta vs tors. theta energy: -84.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -955.405988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.405988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.405988 (E_RNA) where: Base-Base interactions energy: -635.696 where: short stacking energy: -271.159 Base-Backbone interact. energy: -1.791 local terms energy: -317.919576 where: bonds (distance) C4'-P energy: -60.787 bonds (distance) P-C4' energy: -63.648 flat angles C4'-P-C4' energy: -65.438 flat angles P-C4'-P energy: -43.935 tors. eta vs tors. theta energy: -84.112 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: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -868.204245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.204245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.204245 (E_RNA) where: Base-Base interactions energy: -561.433 where: short stacking energy: -239.302 Base-Backbone interact. energy: 0.476 local terms energy: -307.246968 where: bonds (distance) C4'-P energy: -66.748 bonds (distance) P-C4' energy: -52.004 flat angles C4'-P-C4' energy: -74.367 flat angles P-C4'-P energy: -43.824 tors. eta vs tors. theta energy: -70.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -773.955602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.955602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.955602 (E_RNA) where: Base-Base interactions energy: -501.703 where: short stacking energy: -214.455 Base-Backbone interact. energy: -1.711 local terms energy: -270.542519 where: bonds (distance) C4'-P energy: -49.662 bonds (distance) P-C4' energy: -62.769 flat angles C4'-P-C4' energy: -60.313 flat angles P-C4'-P energy: -37.727 tors. eta vs tors. theta energy: -60.071 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: 60 Temperature: 1.100000 Total energy: -762.118043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.118043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.118043 (E_RNA) where: Base-Base interactions energy: -511.542 where: short stacking energy: -194.272 Base-Backbone interact. energy: -1.991 local terms energy: -248.584820 where: bonds (distance) C4'-P energy: -55.600 bonds (distance) P-C4' energy: -53.572 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -34.350 tors. eta vs tors. theta energy: -41.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -627.430949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.430949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.430949 (E_RNA) where: Base-Base interactions energy: -394.057 where: short stacking energy: -178.313 Base-Backbone interact. energy: 0.356 local terms energy: -233.730043 where: bonds (distance) C4'-P energy: -50.700 bonds (distance) P-C4' energy: -59.009 flat angles C4'-P-C4' energy: -61.276 flat angles P-C4'-P energy: -27.694 tors. eta vs tors. theta energy: -35.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -556.104412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.104412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.104412 (E_RNA) where: Base-Base interactions energy: -321.453 where: short stacking energy: -167.503 Base-Backbone interact. energy: 2.821 local terms energy: -237.472080 where: bonds (distance) C4'-P energy: -45.169 bonds (distance) P-C4' energy: -61.314 flat angles C4'-P-C4' energy: -56.352 flat angles P-C4'-P energy: -39.583 tors. eta vs tors. theta energy: -35.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -476.550028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.550028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.550028 (E_RNA) where: Base-Base interactions energy: -254.418 where: short stacking energy: -125.549 Base-Backbone interact. energy: 0.086 local terms energy: -222.217822 where: bonds (distance) C4'-P energy: -43.320 bonds (distance) P-C4' energy: -70.583 flat angles C4'-P-C4' energy: -50.200 flat angles P-C4'-P energy: -43.238 tors. eta vs tors. theta energy: -14.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -346.054733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.054733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.054733 (E_RNA) where: Base-Base interactions energy: -166.434 where: short stacking energy: -86.847 Base-Backbone interact. energy: 2.588 local terms energy: -182.208718 where: bonds (distance) C4'-P energy: -54.606 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -31.133 flat angles P-C4'-P energy: -34.013 tors. eta vs tors. theta energy: 0.069 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: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -291.887001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.887001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.887001 (E_RNA) where: Base-Base interactions energy: -131.659 where: short stacking energy: -79.353 Base-Backbone interact. energy: -0.100 local terms energy: -160.127864 where: bonds (distance) C4'-P energy: -46.176 bonds (distance) P-C4' energy: -52.183 flat angles C4'-P-C4' energy: -55.465 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: 2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1032.172007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.172007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.172007 (E_RNA) where: Base-Base interactions energy: -693.305 where: short stacking energy: -279.017 Base-Backbone interact. energy: -0.356 local terms energy: -338.511393 where: bonds (distance) C4'-P energy: -66.917 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -77.429 flat angles P-C4'-P energy: -53.643 tors. eta vs tors. theta energy: -85.241 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: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -944.879385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.879385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.879385 (E_RNA) where: Base-Base interactions energy: -625.996 where: short stacking energy: -290.314 Base-Backbone interact. energy: -3.095 local terms energy: -315.788675 where: bonds (distance) C4'-P energy: -58.400 bonds (distance) P-C4' energy: -58.451 flat angles C4'-P-C4' energy: -70.262 flat angles P-C4'-P energy: -39.994 tors. eta vs tors. theta energy: -88.682 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: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -880.693000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.693000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.693000 (E_RNA) where: Base-Base interactions energy: -585.834 where: short stacking energy: -241.011 Base-Backbone interact. energy: -1.042 local terms energy: -293.817593 where: bonds (distance) C4'-P energy: -56.439 bonds (distance) P-C4' energy: -57.641 flat angles C4'-P-C4' energy: -62.193 flat angles P-C4'-P energy: -47.851 tors. eta vs tors. theta energy: -69.694 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: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -742.856085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.856085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.856085 (E_RNA) where: Base-Base interactions energy: -466.509 where: short stacking energy: -208.757 Base-Backbone interact. energy: 0.119 local terms energy: -276.465448 where: bonds (distance) C4'-P energy: -60.034 bonds (distance) P-C4' energy: -57.392 flat angles C4'-P-C4' energy: -59.834 flat angles P-C4'-P energy: -43.885 tors. eta vs tors. theta energy: -55.320 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: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -768.188311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.188311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.188311 (E_RNA) where: Base-Base interactions energy: -500.904 where: short stacking energy: -195.905 Base-Backbone interact. energy: 0.911 local terms energy: -268.195906 where: bonds (distance) C4'-P energy: -56.179 bonds (distance) P-C4' energy: -62.119 flat angles C4'-P-C4' energy: -61.461 flat angles P-C4'-P energy: -37.225 tors. eta vs tors. theta energy: -51.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -647.484239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.484239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.484239 (E_RNA) where: Base-Base interactions energy: -396.114 where: short stacking energy: -186.571 Base-Backbone interact. energy: -1.649 local terms energy: -249.722184 where: bonds (distance) C4'-P energy: -54.440 bonds (distance) P-C4' energy: -51.765 flat angles C4'-P-C4' energy: -54.442 flat angles P-C4'-P energy: -38.911 tors. eta vs tors. theta energy: -50.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -505.262690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.262690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.262690 (E_RNA) where: Base-Base interactions energy: -266.287 where: short stacking energy: -141.078 Base-Backbone interact. energy: -1.091 local terms energy: -237.884289 where: bonds (distance) C4'-P energy: -55.257 bonds (distance) P-C4' energy: -59.365 flat angles C4'-P-C4' energy: -59.751 flat angles P-C4'-P energy: -36.655 tors. eta vs tors. theta energy: -26.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -501.956263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.956263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.956263 (E_RNA) where: Base-Base interactions energy: -261.159 where: short stacking energy: -148.049 Base-Backbone interact. energy: -2.468 local terms energy: -238.329161 where: bonds (distance) C4'-P energy: -61.533 bonds (distance) P-C4' energy: -58.149 flat angles C4'-P-C4' energy: -55.323 flat angles P-C4'-P energy: -36.429 tors. eta vs tors. theta energy: -26.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -333.572567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.572567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.572567 (E_RNA) where: Base-Base interactions energy: -166.432 where: short stacking energy: -95.181 Base-Backbone interact. energy: 5.703 local terms energy: -172.843662 where: bonds (distance) C4'-P energy: -44.667 bonds (distance) P-C4' energy: -62.096 flat angles C4'-P-C4' energy: -44.889 flat angles P-C4'-P energy: -24.334 tors. eta vs tors. theta energy: 3.142 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: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -336.697777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.697777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.697777 (E_RNA) where: Base-Base interactions energy: -146.580 where: short stacking energy: -93.680 Base-Backbone interact. energy: -1.190 local terms energy: -188.927931 where: bonds (distance) C4'-P energy: -43.348 bonds (distance) P-C4' energy: -55.991 flat angles C4'-P-C4' energy: -43.794 flat angles P-C4'-P energy: -33.774 tors. eta vs tors. theta energy: -12.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -982.802437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.802437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.802437 (E_RNA) where: Base-Base interactions energy: -656.441 where: short stacking energy: -283.757 Base-Backbone interact. energy: -3.552 local terms energy: -322.809001 where: bonds (distance) C4'-P energy: -66.127 bonds (distance) P-C4' energy: -63.237 flat angles C4'-P-C4' energy: -57.880 flat angles P-C4'-P energy: -46.779 tors. eta vs tors. theta energy: -88.786 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: 5 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -982.731621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.731621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.731621 (E_RNA) where: Base-Base interactions energy: -667.028 where: short stacking energy: -305.471 Base-Backbone interact. energy: -0.527 local terms energy: -315.175917 where: bonds (distance) C4'-P energy: -51.198 bonds (distance) P-C4' energy: -59.960 flat angles C4'-P-C4' energy: -72.970 flat angles P-C4'-P energy: -40.796 tors. eta vs tors. theta energy: -90.253 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: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -914.606449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.606449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.606449 (E_RNA) where: Base-Base interactions energy: -603.406 where: short stacking energy: -253.333 Base-Backbone interact. energy: -1.730 local terms energy: -309.470247 where: bonds (distance) C4'-P energy: -64.320 bonds (distance) P-C4' energy: -61.570 flat angles C4'-P-C4' energy: -57.991 flat angles P-C4'-P energy: -45.325 tors. eta vs tors. theta energy: -80.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -763.474304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.474304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.474304 (E_RNA) where: Base-Base interactions energy: -504.096 where: short stacking energy: -229.770 Base-Backbone interact. energy: 1.472 local terms energy: -260.850358 where: bonds (distance) C4'-P energy: -57.123 bonds (distance) P-C4' energy: -48.691 flat angles C4'-P-C4' energy: -59.445 flat angles P-C4'-P energy: -41.659 tors. eta vs tors. theta energy: -53.932 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: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -793.167492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.167492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.167492 (E_RNA) where: Base-Base interactions energy: -541.202 where: short stacking energy: -220.074 Base-Backbone interact. energy: -2.021 local terms energy: -249.944275 where: bonds (distance) C4'-P energy: -51.332 bonds (distance) P-C4' energy: -61.378 flat angles C4'-P-C4' energy: -57.810 flat angles P-C4'-P energy: -24.936 tors. eta vs tors. theta energy: -54.489 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: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -653.706574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.706574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.706574 (E_RNA) where: Base-Base interactions energy: -407.666 where: short stacking energy: -175.843 Base-Backbone interact. energy: -2.162 local terms energy: -243.878735 where: bonds (distance) C4'-P energy: -54.471 bonds (distance) P-C4' energy: -60.604 flat angles C4'-P-C4' energy: -61.660 flat angles P-C4'-P energy: -33.408 tors. eta vs tors. theta energy: -33.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -561.466652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.466652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.466652 (E_RNA) where: Base-Base interactions energy: -330.765 where: short stacking energy: -147.243 Base-Backbone interact. energy: -1.511 local terms energy: -229.190649 where: bonds (distance) C4'-P energy: -61.963 bonds (distance) P-C4' energy: -56.377 flat angles C4'-P-C4' energy: -52.632 flat angles P-C4'-P energy: -39.601 tors. eta vs tors. theta energy: -18.618 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: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -515.497178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.497178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.497178 (E_RNA) where: Base-Base interactions energy: -295.011 where: short stacking energy: -139.061 Base-Backbone interact. energy: 1.447 local terms energy: -221.933168 where: bonds (distance) C4'-P energy: -55.678 bonds (distance) P-C4' energy: -61.558 flat angles C4'-P-C4' energy: -51.642 flat angles P-C4'-P energy: -26.675 tors. eta vs tors. theta energy: -26.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -362.222086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.222086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.222086 (E_RNA) where: Base-Base interactions energy: -186.208 where: short stacking energy: -94.360 Base-Backbone interact. energy: -0.769 local terms energy: -175.244586 where: bonds (distance) C4'-P energy: -41.840 bonds (distance) P-C4' energy: -43.102 flat angles C4'-P-C4' energy: -53.319 flat angles P-C4'-P energy: -27.389 tors. eta vs tors. theta energy: -9.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -341.782297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.782297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.782297 (E_RNA) where: Base-Base interactions energy: -158.877 where: short stacking energy: -75.332 Base-Backbone interact. energy: -0.743 local terms energy: -182.162352 where: bonds (distance) C4'-P energy: -57.740 bonds (distance) P-C4' energy: -46.243 flat angles C4'-P-C4' energy: -44.567 flat angles P-C4'-P energy: -34.973 tors. eta vs tors. theta energy: 1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -986.869537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.869537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.869537 (E_RNA) where: Base-Base interactions energy: -651.102 where: short stacking energy: -287.754 Base-Backbone interact. energy: -2.253 local terms energy: -333.514263 where: bonds (distance) C4'-P energy: -60.040 bonds (distance) P-C4' energy: -68.459 flat angles C4'-P-C4' energy: -66.945 flat angles P-C4'-P energy: -51.904 tors. eta vs tors. theta energy: -86.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -995.041301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.041301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.041301 (E_RNA) where: Base-Base interactions energy: -669.403 where: short stacking energy: -275.829 Base-Backbone interact. energy: -2.708 local terms energy: -322.930525 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -63.621 flat angles C4'-P-C4' energy: -65.452 flat angles P-C4'-P energy: -42.571 tors. eta vs tors. theta energy: -88.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -908.856945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.856945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.856945 (E_RNA) where: Base-Base interactions energy: -598.727 where: short stacking energy: -264.307 Base-Backbone interact. energy: -1.500 local terms energy: -308.630214 where: bonds (distance) C4'-P energy: -64.404 bonds (distance) P-C4' energy: -57.606 flat angles C4'-P-C4' energy: -70.713 flat angles P-C4'-P energy: -44.703 tors. eta vs tors. theta energy: -71.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -807.293890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.293890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.293890 (E_RNA) where: Base-Base interactions energy: -519.518 where: short stacking energy: -213.294 Base-Backbone interact. energy: 0.597 local terms energy: -288.372235 where: bonds (distance) C4'-P energy: -52.200 bonds (distance) P-C4' energy: -66.860 flat angles C4'-P-C4' energy: -67.089 flat angles P-C4'-P energy: -45.175 tors. eta vs tors. theta energy: -57.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -742.040218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.040218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.040218 (E_RNA) where: Base-Base interactions energy: -492.519 where: short stacking energy: -208.422 Base-Backbone interact. energy: -0.883 local terms energy: -248.638362 where: bonds (distance) C4'-P energy: -54.278 bonds (distance) P-C4' energy: -61.816 flat angles C4'-P-C4' energy: -59.706 flat angles P-C4'-P energy: -29.864 tors. eta vs tors. theta energy: -42.975 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: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -649.132574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.132574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.132574 (E_RNA) where: Base-Base interactions energy: -412.471 where: short stacking energy: -180.751 Base-Backbone interact. energy: -1.150 local terms energy: -235.511875 where: bonds (distance) C4'-P energy: -44.860 bonds (distance) P-C4' energy: -49.168 flat angles C4'-P-C4' energy: -64.594 flat angles P-C4'-P energy: -36.679 tors. eta vs tors. theta energy: -40.210 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: 63 Temperature: 1.200000 Total energy: -508.645688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.645688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.645688 (E_RNA) where: Base-Base interactions energy: -276.755 where: short stacking energy: -132.501 Base-Backbone interact. energy: 1.424 local terms energy: -233.314978 where: bonds (distance) C4'-P energy: -53.148 bonds (distance) P-C4' energy: -60.803 flat angles C4'-P-C4' energy: -66.426 flat angles P-C4'-P energy: -24.643 tors. eta vs tors. theta energy: -28.295 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: 6 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -482.154667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.154667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.154667 (E_RNA) where: Base-Base interactions energy: -276.604 where: short stacking energy: -130.371 Base-Backbone interact. energy: 0.874 local terms energy: -206.424621 where: bonds (distance) C4'-P energy: -56.271 bonds (distance) P-C4' energy: -65.106 flat angles C4'-P-C4' energy: -45.279 flat angles P-C4'-P energy: -29.299 tors. eta vs tors. theta energy: -10.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -359.365617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.365617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.365617 (E_RNA) where: Base-Base interactions energy: -170.548 where: short stacking energy: -106.505 Base-Backbone interact. energy: 1.717 local terms energy: -190.535430 where: bonds (distance) C4'-P energy: -52.805 bonds (distance) P-C4' energy: -46.518 flat angles C4'-P-C4' energy: -49.334 flat angles P-C4'-P energy: -34.240 tors. eta vs tors. theta energy: -7.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -324.965323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.965323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.965323 (E_RNA) where: Base-Base interactions energy: -137.130 where: short stacking energy: -87.028 Base-Backbone interact. energy: -0.920 local terms energy: -186.914572 where: bonds (distance) C4'-P energy: -47.314 bonds (distance) P-C4' energy: -58.548 flat angles C4'-P-C4' energy: -38.337 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -979.541436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.541436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.541436 (E_RNA) where: Base-Base interactions energy: -652.322 where: short stacking energy: -288.246 Base-Backbone interact. energy: -1.589 local terms energy: -325.629707 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -54.222 flat angles C4'-P-C4' energy: -70.689 flat angles P-C4'-P energy: -42.032 tors. eta vs tors. theta energy: -83.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -979.529335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.529335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.529335 (E_RNA) where: Base-Base interactions energy: -649.383 where: short stacking energy: -269.363 Base-Backbone interact. energy: -2.323 local terms energy: -327.823821 where: bonds (distance) C4'-P energy: -72.338 bonds (distance) P-C4' energy: -57.939 flat angles C4'-P-C4' energy: -76.946 flat angles P-C4'-P energy: -38.189 tors. eta vs tors. theta energy: -82.411 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: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -914.344838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.344838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.344838 (E_RNA) where: Base-Base interactions energy: -600.439 where: short stacking energy: -276.095 Base-Backbone interact. energy: -0.224 local terms energy: -313.682221 where: bonds (distance) C4'-P energy: -59.137 bonds (distance) P-C4' energy: -59.444 flat angles C4'-P-C4' energy: -64.942 flat angles P-C4'-P energy: -54.831 tors. eta vs tors. theta energy: -75.328 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: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -824.365890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.365890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.365890 (E_RNA) where: Base-Base interactions energy: -534.564 where: short stacking energy: -231.348 Base-Backbone interact. energy: -1.704 local terms energy: -288.097892 where: bonds (distance) C4'-P energy: -66.237 bonds (distance) P-C4' energy: -61.276 flat angles C4'-P-C4' energy: -59.104 flat angles P-C4'-P energy: -36.492 tors. eta vs tors. theta energy: -64.988 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: 64 Temperature: 1.100000 Total energy: -771.186730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.186730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.186730 (E_RNA) where: Base-Base interactions energy: -530.530 where: short stacking energy: -227.411 Base-Backbone interact. energy: -1.701 local terms energy: -238.955726 where: bonds (distance) C4'-P energy: -47.697 bonds (distance) P-C4' energy: -43.263 flat angles C4'-P-C4' energy: -66.985 flat angles P-C4'-P energy: -40.052 tors. eta vs tors. theta energy: -40.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -701.433633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.433633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.433633 (E_RNA) where: Base-Base interactions energy: -449.111 where: short stacking energy: -192.028 Base-Backbone interact. energy: -1.600 local terms energy: -250.722398 where: bonds (distance) C4'-P energy: -55.626 bonds (distance) P-C4' energy: -61.225 flat angles C4'-P-C4' energy: -59.193 flat angles P-C4'-P energy: -29.564 tors. eta vs tors. theta energy: -45.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -502.512114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.512114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.512114 (E_RNA) where: Base-Base interactions energy: -264.929 where: short stacking energy: -132.343 Base-Backbone interact. energy: -3.418 local terms energy: -234.164791 where: bonds (distance) C4'-P energy: -55.130 bonds (distance) P-C4' energy: -59.159 flat angles C4'-P-C4' energy: -58.879 flat angles P-C4'-P energy: -41.144 tors. eta vs tors. theta energy: -19.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -507.144647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.144647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.144647 (E_RNA) where: Base-Base interactions energy: -274.539 where: short stacking energy: -135.613 Base-Backbone interact. energy: -1.026 local terms energy: -231.579813 where: bonds (distance) C4'-P energy: -53.762 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -53.466 flat angles P-C4'-P energy: -35.259 tors. eta vs tors. theta energy: -24.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -342.311512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.311512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.311512 (E_RNA) where: Base-Base interactions energy: -158.672 where: short stacking energy: -91.369 Base-Backbone interact. energy: 1.252 local terms energy: -184.890723 where: bonds (distance) C4'-P energy: -56.998 bonds (distance) P-C4' energy: -60.137 flat angles C4'-P-C4' energy: -51.356 flat angles P-C4'-P energy: -17.907 tors. eta vs tors. theta energy: 1.508 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: 3 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -310.834008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.834008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.834008 (E_RNA) where: Base-Base interactions energy: -126.531 where: short stacking energy: -76.069 Base-Backbone interact. energy: -0.630 local terms energy: -183.672475 where: bonds (distance) C4'-P energy: -54.069 bonds (distance) P-C4' energy: -46.778 flat angles C4'-P-C4' energy: -45.821 flat angles P-C4'-P energy: -41.679 tors. eta vs tors. theta energy: 4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -984.988683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.988683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.988683 (E_RNA) where: Base-Base interactions energy: -667.211 where: short stacking energy: -293.672 Base-Backbone interact. energy: -0.902 local terms energy: -316.875606 where: bonds (distance) C4'-P energy: -54.539 bonds (distance) P-C4' energy: -63.768 flat angles C4'-P-C4' energy: -66.415 flat angles P-C4'-P energy: -44.890 tors. eta vs tors. theta energy: -87.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -986.574003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.574003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.574003 (E_RNA) where: Base-Base interactions energy: -654.930 where: short stacking energy: -264.551 Base-Backbone interact. energy: -1.658 local terms energy: -329.985803 where: bonds (distance) C4'-P energy: -70.572 bonds (distance) P-C4' energy: -66.657 flat angles C4'-P-C4' energy: -66.178 flat angles P-C4'-P energy: -47.227 tors. eta vs tors. theta energy: -79.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -894.218332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.218332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.218332 (E_RNA) where: Base-Base interactions energy: -581.924 where: short stacking energy: -246.368 Base-Backbone interact. energy: -0.376 local terms energy: -311.918777 where: bonds (distance) C4'-P energy: -66.546 bonds (distance) P-C4' energy: -67.336 flat angles C4'-P-C4' energy: -63.747 flat angles P-C4'-P energy: -45.984 tors. eta vs tors. theta energy: -68.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -814.493074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.493074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.493074 (E_RNA) where: Base-Base interactions energy: -546.623 where: short stacking energy: -215.713 Base-Backbone interact. energy: -0.213 local terms energy: -267.657104 where: bonds (distance) C4'-P energy: -59.643 bonds (distance) P-C4' energy: -53.777 flat angles C4'-P-C4' energy: -56.323 flat angles P-C4'-P energy: -48.701 tors. eta vs tors. theta energy: -49.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -768.891836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.891836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.891836 (E_RNA) where: Base-Base interactions energy: -507.658 where: short stacking energy: -226.742 Base-Backbone interact. energy: -0.049 local terms energy: -261.184146 where: bonds (distance) C4'-P energy: -49.225 bonds (distance) P-C4' energy: -54.144 flat angles C4'-P-C4' energy: -68.305 flat angles P-C4'-P energy: -37.980 tors. eta vs tors. theta energy: -51.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -655.534122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.534122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.534122 (E_RNA) where: Base-Base interactions energy: -403.805 where: short stacking energy: -195.505 Base-Backbone interact. energy: -1.639 local terms energy: -250.090163 where: bonds (distance) C4'-P energy: -51.794 bonds (distance) P-C4' energy: -56.275 flat angles C4'-P-C4' energy: -57.013 flat angles P-C4'-P energy: -37.564 tors. eta vs tors. theta energy: -47.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -540.190682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.190682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.190682 (E_RNA) where: Base-Base interactions energy: -340.117 where: short stacking energy: -166.205 Base-Backbone interact. energy: -0.659 local terms energy: -199.415605 where: bonds (distance) C4'-P energy: -55.960 bonds (distance) P-C4' energy: -52.278 flat angles C4'-P-C4' energy: -43.997 flat angles P-C4'-P energy: -26.433 tors. eta vs tors. theta energy: -20.748 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: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -368.440274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.440274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.440274 (E_RNA) where: Base-Base interactions energy: -168.183 where: short stacking energy: -77.592 Base-Backbone interact. energy: 2.477 local terms energy: -202.733909 where: bonds (distance) C4'-P energy: -54.608 bonds (distance) P-C4' energy: -52.253 flat angles C4'-P-C4' energy: -55.913 flat angles P-C4'-P energy: -32.482 tors. eta vs tors. theta energy: -7.478 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: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -467.515522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.515522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.515522 (E_RNA) where: Base-Base interactions energy: -280.964 where: short stacking energy: -144.287 Base-Backbone interact. energy: -0.580 local terms energy: -185.970896 where: bonds (distance) C4'-P energy: -41.737 bonds (distance) P-C4' energy: -44.902 flat angles C4'-P-C4' energy: -49.978 flat angles P-C4'-P energy: -30.029 tors. eta vs tors. theta energy: -19.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -339.051448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.051448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.051448 (E_RNA) where: Base-Base interactions energy: -180.793 where: short stacking energy: -110.341 Base-Backbone interact. energy: 2.632 local terms energy: -160.890751 where: bonds (distance) C4'-P energy: -48.194 bonds (distance) P-C4' energy: -44.459 flat angles C4'-P-C4' energy: -36.924 flat angles P-C4'-P energy: -21.009 tors. eta vs tors. theta energy: -10.304 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: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1013.993347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.993347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.993347 (E_RNA) where: Base-Base interactions energy: -690.491 where: short stacking energy: -281.577 Base-Backbone interact. energy: -0.071 local terms energy: -323.431844 where: bonds (distance) C4'-P energy: -59.625 bonds (distance) P-C4' energy: -61.917 flat angles C4'-P-C4' energy: -70.232 flat angles P-C4'-P energy: -45.598 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: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -965.792796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.792796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.792796 (E_RNA) where: Base-Base interactions energy: -650.611 where: short stacking energy: -270.988 Base-Backbone interact. energy: -0.881 local terms energy: -314.300812 where: bonds (distance) C4'-P energy: -62.983 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -62.464 flat angles P-C4'-P energy: -37.337 tors. eta vs tors. theta energy: -86.663 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: 66 Temperature: 1.000000 Total energy: -886.246873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.246873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.246873 (E_RNA) where: Base-Base interactions energy: -590.814 where: short stacking energy: -270.828 Base-Backbone interact. energy: -2.913 local terms energy: -292.520446 where: bonds (distance) C4'-P energy: -58.250 bonds (distance) P-C4' energy: -56.396 flat angles C4'-P-C4' energy: -56.669 flat angles P-C4'-P energy: -50.644 tors. eta vs tors. theta energy: -70.562 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: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -819.722091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.722091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.722091 (E_RNA) where: Base-Base interactions energy: -526.193 where: short stacking energy: -226.889 Base-Backbone interact. energy: 3.956 local terms energy: -297.485157 where: bonds (distance) C4'-P energy: -55.018 bonds (distance) P-C4' energy: -71.483 flat angles C4'-P-C4' energy: -68.563 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -58.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -683.261789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.261789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.261789 (E_RNA) where: Base-Base interactions energy: -422.813 where: short stacking energy: -208.984 Base-Backbone interact. energy: -2.324 local terms energy: -258.125348 where: bonds (distance) C4'-P energy: -57.877 bonds (distance) P-C4' energy: -44.135 flat angles C4'-P-C4' energy: -62.609 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -46.574 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: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -744.707887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.707887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.707887 (E_RNA) where: Base-Base interactions energy: -481.293 where: short stacking energy: -222.708 Base-Backbone interact. energy: -0.741 local terms energy: -262.674093 where: bonds (distance) C4'-P energy: -47.089 bonds (distance) P-C4' energy: -59.365 flat angles C4'-P-C4' energy: -55.070 flat angles P-C4'-P energy: -46.386 tors. eta vs tors. theta energy: -54.764 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: 4 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -572.213602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.213602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.213602 (E_RNA) where: Base-Base interactions energy: -320.650 where: short stacking energy: -174.867 Base-Backbone interact. energy: 1.219 local terms energy: -252.781911 where: bonds (distance) C4'-P energy: -60.204 bonds (distance) P-C4' energy: -59.015 flat angles C4'-P-C4' energy: -60.597 flat angles P-C4'-P energy: -38.831 tors. eta vs tors. theta energy: -34.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -400.383111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.383111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.383111 (E_RNA) where: Base-Base interactions energy: -191.895 where: short stacking energy: -102.666 Base-Backbone interact. energy: 0.013 local terms energy: -208.501279 where: bonds (distance) C4'-P energy: -53.798 bonds (distance) P-C4' energy: -56.166 flat angles C4'-P-C4' energy: -61.470 flat angles P-C4'-P energy: -32.044 tors. eta vs tors. theta energy: -5.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -453.699616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.699616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.699616 (E_RNA) where: Base-Base interactions energy: -240.341 where: short stacking energy: -123.675 Base-Backbone interact. energy: -1.285 local terms energy: -212.073267 where: bonds (distance) C4'-P energy: -44.099 bonds (distance) P-C4' energy: -53.593 flat angles C4'-P-C4' energy: -66.811 flat angles P-C4'-P energy: -25.738 tors. eta vs tors. theta energy: -21.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -327.807122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.807122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.807122 (E_RNA) where: Base-Base interactions energy: -151.881 where: short stacking energy: -87.550 Base-Backbone interact. energy: -1.072 local terms energy: -174.854423 where: bonds (distance) C4'-P energy: -53.994 bonds (distance) P-C4' energy: -55.188 flat angles C4'-P-C4' energy: -43.695 flat angles P-C4'-P energy: -31.910 tors. eta vs tors. theta energy: 9.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -998.496319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.496319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.496319 (E_RNA) where: Base-Base interactions energy: -691.912 where: short stacking energy: -285.240 Base-Backbone interact. energy: -1.450 local terms energy: -305.134432 where: bonds (distance) C4'-P energy: -45.818 bonds (distance) P-C4' energy: -61.948 flat angles C4'-P-C4' energy: -72.176 flat angles P-C4'-P energy: -41.737 tors. eta vs tors. theta energy: -83.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -947.086644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.086644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.086644 (E_RNA) where: Base-Base interactions energy: -624.432 where: short stacking energy: -289.432 Base-Backbone interact. energy: -0.880 local terms energy: -321.774729 where: bonds (distance) C4'-P energy: -62.999 bonds (distance) P-C4' energy: -66.639 flat angles C4'-P-C4' energy: -65.483 flat angles P-C4'-P energy: -34.531 tors. eta vs tors. theta energy: -92.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -905.598159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.598159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.598159 (E_RNA) where: Base-Base interactions energy: -603.436 where: short stacking energy: -260.027 Base-Backbone interact. energy: -1.320 local terms energy: -300.841927 where: bonds (distance) C4'-P energy: -67.093 bonds (distance) P-C4' energy: -52.727 flat angles C4'-P-C4' energy: -66.480 flat angles P-C4'-P energy: -36.169 tors. eta vs tors. theta energy: -78.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -816.777751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.777751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.777751 (E_RNA) where: Base-Base interactions energy: -534.792 where: short stacking energy: -218.302 Base-Backbone interact. energy: 0.037 local terms energy: -282.022186 where: bonds (distance) C4'-P energy: -61.686 bonds (distance) P-C4' energy: -66.264 flat angles C4'-P-C4' energy: -56.694 flat angles P-C4'-P energy: -36.257 tors. eta vs tors. theta energy: -61.122 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: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -636.197231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.197231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.197231 (E_RNA) where: Base-Base interactions energy: -386.606 where: short stacking energy: -212.150 Base-Backbone interact. energy: -1.926 local terms energy: -247.665041 where: bonds (distance) C4'-P energy: -56.356 bonds (distance) P-C4' energy: -51.967 flat angles C4'-P-C4' energy: -48.740 flat angles P-C4'-P energy: -38.862 tors. eta vs tors. theta energy: -51.740 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: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -736.243118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.243118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.243118 (E_RNA) where: Base-Base interactions energy: -460.650 where: short stacking energy: -215.362 Base-Backbone interact. energy: -1.030 local terms energy: -274.563697 where: bonds (distance) C4'-P energy: -50.652 bonds (distance) P-C4' energy: -56.049 flat angles C4'-P-C4' energy: -60.800 flat angles P-C4'-P energy: -42.159 tors. eta vs tors. theta energy: -64.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -520.612291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.612291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.612291 (E_RNA) where: Base-Base interactions energy: -300.770 where: short stacking energy: -146.798 Base-Backbone interact. energy: -2.514 local terms energy: -217.328031 where: bonds (distance) C4'-P energy: -57.770 bonds (distance) P-C4' energy: -53.840 flat angles C4'-P-C4' energy: -48.730 flat angles P-C4'-P energy: -34.783 tors. eta vs tors. theta energy: -22.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -511.049344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.049344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.049344 (E_RNA) where: Base-Base interactions energy: -303.156 where: short stacking energy: -152.429 Base-Backbone interact. energy: -0.724 local terms energy: -207.169374 where: bonds (distance) C4'-P energy: -46.977 bonds (distance) P-C4' energy: -57.175 flat angles C4'-P-C4' energy: -53.473 flat angles P-C4'-P energy: -27.800 tors. eta vs tors. theta energy: -21.745 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: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -358.555562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.555562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.555562 (E_RNA) where: Base-Base interactions energy: -170.646 where: short stacking energy: -93.873 Base-Backbone interact. energy: -0.412 local terms energy: -187.497408 where: bonds (distance) C4'-P energy: -46.196 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -42.730 flat angles P-C4'-P energy: -34.447 tors. eta vs tors. theta energy: 1.985 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: 3 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -334.327698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.327698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.327698 (E_RNA) where: Base-Base interactions energy: -141.119 where: short stacking energy: -81.631 Base-Backbone interact. energy: -1.249 local terms energy: -191.958911 where: bonds (distance) C4'-P energy: -57.301 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -55.510 flat angles P-C4'-P energy: -21.418 tors. eta vs tors. theta energy: 4.231 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: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -997.587932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.587932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.587932 (E_RNA) where: Base-Base interactions energy: -666.638 where: short stacking energy: -289.241 Base-Backbone interact. energy: -2.152 local terms energy: -328.797906 where: bonds (distance) C4'-P energy: -63.747 bonds (distance) P-C4' energy: -65.737 flat angles C4'-P-C4' energy: -74.329 flat angles P-C4'-P energy: -45.472 tors. eta vs tors. theta energy: -79.513 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: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -932.997592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.997592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.997592 (E_RNA) where: Base-Base interactions energy: -608.009 where: short stacking energy: -269.463 Base-Backbone interact. energy: -2.363 local terms energy: -322.626108 where: bonds (distance) C4'-P energy: -68.919 bonds (distance) P-C4' energy: -63.953 flat angles C4'-P-C4' energy: -70.484 flat angles P-C4'-P energy: -36.068 tors. eta vs tors. theta energy: -83.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -906.104741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.104741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.104741 (E_RNA) where: Base-Base interactions energy: -618.590 where: short stacking energy: -271.001 Base-Backbone interact. energy: -1.276 local terms energy: -286.238192 where: bonds (distance) C4'-P energy: -46.291 bonds (distance) P-C4' energy: -61.502 flat angles C4'-P-C4' energy: -64.062 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -74.561 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: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -841.105681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.105681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.105681 (E_RNA) where: Base-Base interactions energy: -564.012 where: short stacking energy: -239.120 Base-Backbone interact. energy: -0.469 local terms energy: -276.624800 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -45.039 flat angles C4'-P-C4' energy: -67.944 flat angles P-C4'-P energy: -35.070 tors. eta vs tors. theta energy: -62.867 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: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -765.984402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.984402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.984402 (E_RNA) where: Base-Base interactions energy: -495.212 where: short stacking energy: -216.665 Base-Backbone interact. energy: -1.355 local terms energy: -269.417165 where: bonds (distance) C4'-P energy: -47.597 bonds (distance) P-C4' energy: -58.137 flat angles C4'-P-C4' energy: -70.078 flat angles P-C4'-P energy: -35.076 tors. eta vs tors. theta energy: -58.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -654.016110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.016110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.016110 (E_RNA) where: Base-Base interactions energy: -414.881 where: short stacking energy: -182.191 Base-Backbone interact. energy: -0.037 local terms energy: -239.098187 where: bonds (distance) C4'-P energy: -46.489 bonds (distance) P-C4' energy: -59.375 flat angles C4'-P-C4' energy: -49.505 flat angles P-C4'-P energy: -34.292 tors. eta vs tors. theta energy: -49.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -523.140497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.140497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.140497 (E_RNA) where: Base-Base interactions energy: -284.893 where: short stacking energy: -175.245 Base-Backbone interact. energy: -2.579 local terms energy: -235.669177 where: bonds (distance) C4'-P energy: -58.741 bonds (distance) P-C4' energy: -50.194 flat angles C4'-P-C4' energy: -57.222 flat angles P-C4'-P energy: -36.916 tors. eta vs tors. theta energy: -32.596 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: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -488.973125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.973125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.973125 (E_RNA) where: Base-Base interactions energy: -273.738 where: short stacking energy: -128.268 Base-Backbone interact. energy: -0.193 local terms energy: -215.041649 where: bonds (distance) C4'-P energy: -39.606 bonds (distance) P-C4' energy: -63.269 flat angles C4'-P-C4' energy: -58.761 flat angles P-C4'-P energy: -33.123 tors. eta vs tors. theta energy: -20.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -379.084279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.084279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.084279 (E_RNA) where: Base-Base interactions energy: -175.250 where: short stacking energy: -124.128 Base-Backbone interact. energy: 1.800 local terms energy: -205.634425 where: bonds (distance) C4'-P energy: -47.379 bonds (distance) P-C4' energy: -49.093 flat angles C4'-P-C4' energy: -52.065 flat angles P-C4'-P energy: -32.341 tors. eta vs tors. theta energy: -24.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -335.362545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.362545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.362545 (E_RNA) where: Base-Base interactions energy: -161.613 where: short stacking energy: -97.783 Base-Backbone interact. energy: 2.397 local terms energy: -176.147097 where: bonds (distance) C4'-P energy: -56.386 bonds (distance) P-C4' energy: -57.169 flat angles C4'-P-C4' energy: -33.579 flat angles P-C4'-P energy: -26.823 tors. eta vs tors. theta energy: -2.190 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: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1023.007223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.007223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.007223 (E_RNA) where: Base-Base interactions energy: -688.577 where: short stacking energy: -293.761 Base-Backbone interact. energy: -1.322 local terms energy: -333.107557 where: bonds (distance) C4'-P energy: -64.080 bonds (distance) P-C4' energy: -66.500 flat angles C4'-P-C4' energy: -67.627 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: -88.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -930.380522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.380522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.380522 (E_RNA) where: Base-Base interactions energy: -628.472 where: short stacking energy: -279.862 Base-Backbone interact. energy: -1.045 local terms energy: -300.863653 where: bonds (distance) C4'-P energy: -56.661 bonds (distance) P-C4' energy: -56.004 flat angles C4'-P-C4' energy: -64.127 flat angles P-C4'-P energy: -42.884 tors. eta vs tors. theta energy: -81.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -899.381376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.381376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.381376 (E_RNA) where: Base-Base interactions energy: -593.716 where: short stacking energy: -255.698 Base-Backbone interact. energy: -2.661 local terms energy: -303.004051 where: bonds (distance) C4'-P energy: -64.909 bonds (distance) P-C4' energy: -57.561 flat angles C4'-P-C4' energy: -62.460 flat angles P-C4'-P energy: -51.448 tors. eta vs tors. theta energy: -66.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -874.117889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.117889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.117889 (E_RNA) where: Base-Base interactions energy: -582.071 where: short stacking energy: -239.342 Base-Backbone interact. energy: 0.935 local terms energy: -292.982099 where: bonds (distance) C4'-P energy: -57.038 bonds (distance) P-C4' energy: -58.078 flat angles C4'-P-C4' energy: -64.979 flat angles P-C4'-P energy: -48.172 tors. eta vs tors. theta energy: -64.715 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: 5, replica: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -789.363496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.363496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.363496 (E_RNA) where: Base-Base interactions energy: -500.628 where: short stacking energy: -234.043 Base-Backbone interact. energy: 0.014 local terms energy: -288.749220 where: bonds (distance) C4'-P energy: -59.690 bonds (distance) P-C4' energy: -47.375 flat angles C4'-P-C4' energy: -63.861 flat angles P-C4'-P energy: -41.887 tors. eta vs tors. theta energy: -75.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -610.022072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.022072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.022072 (E_RNA) where: Base-Base interactions energy: -338.263 where: short stacking energy: -177.937 Base-Backbone interact. energy: 1.592 local terms energy: -273.351483 where: bonds (distance) C4'-P energy: -63.067 bonds (distance) P-C4' energy: -54.688 flat angles C4'-P-C4' energy: -61.951 flat angles P-C4'-P energy: -46.253 tors. eta vs tors. theta energy: -47.393 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: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -520.832144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.832144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.832144 (E_RNA) where: Base-Base interactions energy: -286.779 where: short stacking energy: -143.622 Base-Backbone interact. energy: -2.223 local terms energy: -231.829877 where: bonds (distance) C4'-P energy: -52.257 bonds (distance) P-C4' energy: -63.020 flat angles C4'-P-C4' energy: -54.581 flat angles P-C4'-P energy: -32.998 tors. eta vs tors. theta energy: -28.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -488.166673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.166673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.166673 (E_RNA) where: Base-Base interactions energy: -267.111 where: short stacking energy: -146.642 Base-Backbone interact. energy: 1.241 local terms energy: -222.296598 where: bonds (distance) C4'-P energy: -56.574 bonds (distance) P-C4' energy: -53.361 flat angles C4'-P-C4' energy: -57.379 flat angles P-C4'-P energy: -29.638 tors. eta vs tors. theta energy: -25.344 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: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -351.265398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.265398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.265398 (E_RNA) where: Base-Base interactions energy: -181.786 where: short stacking energy: -110.616 Base-Backbone interact. energy: 0.054 local terms energy: -169.532447 where: bonds (distance) C4'-P energy: -47.376 bonds (distance) P-C4' energy: -42.931 flat angles C4'-P-C4' energy: -50.349 flat angles P-C4'-P energy: -25.346 tors. eta vs tors. theta energy: -3.530 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: 3 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -338.884887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.884887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.884887 (E_RNA) where: Base-Base interactions energy: -168.733 where: short stacking energy: -76.102 Base-Backbone interact. energy: -1.844 local terms energy: -168.308227 where: bonds (distance) C4'-P energy: -54.098 bonds (distance) P-C4' energy: -40.005 flat angles C4'-P-C4' energy: -52.745 flat angles P-C4'-P energy: -27.465 tors. eta vs tors. theta energy: 6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1039.678445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.678445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.678445 (E_RNA) where: Base-Base interactions energy: -695.261 where: short stacking energy: -291.087 Base-Backbone interact. energy: -1.768 local terms energy: -342.649428 where: bonds (distance) C4'-P energy: -65.429 bonds (distance) P-C4' energy: -68.790 flat angles C4'-P-C4' energy: -73.067 flat angles P-C4'-P energy: -45.597 tors. eta vs tors. theta energy: -89.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -930.781742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.781742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.781742 (E_RNA) where: Base-Base interactions energy: -613.260 where: short stacking energy: -278.727 Base-Backbone interact. energy: -2.374 local terms energy: -315.147966 where: bonds (distance) C4'-P energy: -58.440 bonds (distance) P-C4' energy: -59.311 flat angles C4'-P-C4' energy: -67.552 flat angles P-C4'-P energy: -42.440 tors. eta vs tors. theta energy: -87.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -903.341895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.341895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.341895 (E_RNA) where: Base-Base interactions energy: -590.365 where: short stacking energy: -260.824 Base-Backbone interact. energy: 2.032 local terms energy: -315.008443 where: bonds (distance) C4'-P energy: -62.870 bonds (distance) P-C4' energy: -66.647 flat angles C4'-P-C4' energy: -72.526 flat angles P-C4'-P energy: -42.506 tors. eta vs tors. theta energy: -70.460 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: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -850.450170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.450170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.450170 (E_RNA) where: Base-Base interactions energy: -588.462 where: short stacking energy: -242.633 Base-Backbone interact. energy: 0.420 local terms energy: -262.408807 where: bonds (distance) C4'-P energy: -48.764 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -54.565 flat angles P-C4'-P energy: -36.752 tors. eta vs tors. theta energy: -62.482 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: 10 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -728.485906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.485906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.485906 (E_RNA) where: Base-Base interactions energy: -480.309 where: short stacking energy: -201.898 Base-Backbone interact. energy: 0.634 local terms energy: -248.811199 where: bonds (distance) C4'-P energy: -55.778 bonds (distance) P-C4' energy: -56.412 flat angles C4'-P-C4' energy: -54.902 flat angles P-C4'-P energy: -41.965 tors. eta vs tors. theta energy: -39.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -640.008354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.008354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.008354 (E_RNA) where: Base-Base interactions energy: -414.580 where: short stacking energy: -183.833 Base-Backbone interact. energy: -3.605 local terms energy: -221.823794 where: bonds (distance) C4'-P energy: -55.220 bonds (distance) P-C4' energy: -47.328 flat angles C4'-P-C4' energy: -59.562 flat angles P-C4'-P energy: -29.741 tors. eta vs tors. theta energy: -29.973 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: 4 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -535.030470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.030470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.030470 (E_RNA) where: Base-Base interactions energy: -318.353 where: short stacking energy: -151.276 Base-Backbone interact. energy: 2.902 local terms energy: -219.579720 where: bonds (distance) C4'-P energy: -55.731 bonds (distance) P-C4' energy: -52.144 flat angles C4'-P-C4' energy: -49.898 flat angles P-C4'-P energy: -27.122 tors. eta vs tors. theta energy: -34.685 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: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -543.594891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.594891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.594891 (E_RNA) where: Base-Base interactions energy: -313.881 where: short stacking energy: -163.671 Base-Backbone interact. energy: 1.410 local terms energy: -231.124394 where: bonds (distance) C4'-P energy: -55.896 bonds (distance) P-C4' energy: -50.142 flat angles C4'-P-C4' energy: -55.884 flat angles P-C4'-P energy: -33.732 tors. eta vs tors. theta energy: -35.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -353.593262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.593262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.593262 (E_RNA) where: Base-Base interactions energy: -163.612 where: short stacking energy: -100.468 Base-Backbone interact. energy: -1.793 local terms energy: -188.188286 where: bonds (distance) C4'-P energy: -56.344 bonds (distance) P-C4' energy: -57.025 flat angles C4'-P-C4' energy: -48.047 flat angles P-C4'-P energy: -25.772 tors. eta vs tors. theta energy: -1.001 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: 10, replica: 3 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -332.760819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.760819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.760819 (E_RNA) where: Base-Base interactions energy: -162.457 where: short stacking energy: -92.810 Base-Backbone interact. energy: 1.328 local terms energy: -171.631226 where: bonds (distance) C4'-P energy: -39.102 bonds (distance) P-C4' energy: -51.945 flat angles C4'-P-C4' energy: -53.236 flat angles P-C4'-P energy: -29.542 tors. eta vs tors. theta energy: 2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1032.926345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.926345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.926345 (E_RNA) where: Base-Base interactions energy: -699.329 where: short stacking energy: -276.031 Base-Backbone interact. energy: -2.305 local terms energy: -331.291502 where: bonds (distance) C4'-P energy: -56.818 bonds (distance) P-C4' energy: -69.947 flat angles C4'-P-C4' energy: -74.111 flat angles P-C4'-P energy: -42.377 tors. eta vs tors. theta energy: -88.038 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: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -924.365076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.365076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.365076 (E_RNA) where: Base-Base interactions energy: -616.156 where: short stacking energy: -281.449 Base-Backbone interact. energy: -3.370 local terms energy: -304.839312 where: bonds (distance) C4'-P energy: -54.587 bonds (distance) P-C4' energy: -61.823 flat angles C4'-P-C4' energy: -70.569 flat angles P-C4'-P energy: -40.513 tors. eta vs tors. theta energy: -77.348 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: 3, replica: 8 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -910.992264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.992264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.992264 (E_RNA) where: Base-Base interactions energy: -598.976 where: short stacking energy: -269.912 Base-Backbone interact. energy: 2.148 local terms energy: -314.164994 where: bonds (distance) C4'-P energy: -57.522 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -73.767 flat angles P-C4'-P energy: -44.456 tors. eta vs tors. theta energy: -74.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -847.022381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.022381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.022381 (E_RNA) where: Base-Base interactions energy: -545.843 where: short stacking energy: -211.718 Base-Backbone interact. energy: 0.045 local terms energy: -301.224892 where: bonds (distance) C4'-P energy: -64.656 bonds (distance) P-C4' energy: -69.574 flat angles C4'-P-C4' energy: -60.784 flat angles P-C4'-P energy: -38.732 tors. eta vs tors. theta energy: -67.479 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: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -712.275719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.275719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.275719 (E_RNA) where: Base-Base interactions energy: -450.258 where: short stacking energy: -198.491 Base-Backbone interact. energy: -0.395 local terms energy: -261.623117 where: bonds (distance) C4'-P energy: -55.361 bonds (distance) P-C4' energy: -45.575 flat angles C4'-P-C4' energy: -68.038 flat angles P-C4'-P energy: -42.048 tors. eta vs tors. theta energy: -50.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -644.072528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.072528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.072528 (E_RNA) where: Base-Base interactions energy: -416.285 where: short stacking energy: -183.533 Base-Backbone interact. energy: 0.463 local terms energy: -228.251022 where: bonds (distance) C4'-P energy: -63.154 bonds (distance) P-C4' energy: -58.402 flat angles C4'-P-C4' energy: -43.852 flat angles P-C4'-P energy: -26.951 tors. eta vs tors. theta energy: -35.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -539.921794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.921794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.921794 (E_RNA) where: Base-Base interactions energy: -314.174 where: short stacking energy: -148.954 Base-Backbone interact. energy: -0.410 local terms energy: -225.337734 where: bonds (distance) C4'-P energy: -55.741 bonds (distance) P-C4' energy: -52.025 flat angles C4'-P-C4' energy: -61.958 flat angles P-C4'-P energy: -38.438 tors. eta vs tors. theta energy: -17.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -496.463614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.463614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.463614 (E_RNA) where: Base-Base interactions energy: -293.852 where: short stacking energy: -132.231 Base-Backbone interact. energy: -1.636 local terms energy: -200.975632 where: bonds (distance) C4'-P energy: -45.052 bonds (distance) P-C4' energy: -49.279 flat angles C4'-P-C4' energy: -57.292 flat angles P-C4'-P energy: -33.305 tors. eta vs tors. theta energy: -16.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -348.623594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.623594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.623594 (E_RNA) where: Base-Base interactions energy: -176.665 where: short stacking energy: -93.738 Base-Backbone interact. energy: -1.563 local terms energy: -170.395681 where: bonds (distance) C4'-P energy: -44.141 bonds (distance) P-C4' energy: -57.571 flat angles C4'-P-C4' energy: -41.203 flat angles P-C4'-P energy: -25.296 tors. eta vs tors. theta energy: -2.185 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: 3 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -264.659306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.659306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.659306 (E_RNA) where: Base-Base interactions energy: -86.897 where: short stacking energy: -48.384 Base-Backbone interact. energy: -1.323 local terms energy: -176.439363 where: bonds (distance) C4'-P energy: -51.782 bonds (distance) P-C4' energy: -67.571 flat angles C4'-P-C4' energy: -31.501 flat angles P-C4'-P energy: -29.899 tors. eta vs tors. theta energy: 4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1009.728984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.728984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.728984 (E_RNA) where: Base-Base interactions energy: -683.117 where: short stacking energy: -298.874 Base-Backbone interact. energy: -1.507 local terms energy: -325.104871 where: bonds (distance) C4'-P energy: -61.913 bonds (distance) P-C4' energy: -62.611 flat angles C4'-P-C4' energy: -68.643 flat angles P-C4'-P energy: -34.506 tors. eta vs tors. theta energy: -97.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -918.895607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.895607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.895607 (E_RNA) where: Base-Base interactions energy: -609.668 where: short stacking energy: -259.851 Base-Backbone interact. energy: 0.364 local terms energy: -309.591104 where: bonds (distance) C4'-P energy: -50.906 bonds (distance) P-C4' energy: -67.071 flat angles C4'-P-C4' energy: -64.820 flat angles P-C4'-P energy: -36.821 tors. eta vs tors. theta energy: -89.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -902.824250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.824250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.824250 (E_RNA) where: Base-Base interactions energy: -603.117 where: short stacking energy: -261.804 Base-Backbone interact. energy: -1.406 local terms energy: -298.301298 where: bonds (distance) C4'-P energy: -60.421 bonds (distance) P-C4' energy: -57.702 flat angles C4'-P-C4' energy: -60.467 flat angles P-C4'-P energy: -43.450 tors. eta vs tors. theta energy: -76.262 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: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -881.246531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.246531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.246531 (E_RNA) where: Base-Base interactions energy: -590.053 where: short stacking energy: -250.014 Base-Backbone interact. energy: -0.159 local terms energy: -291.034718 where: bonds (distance) C4'-P energy: -63.581 bonds (distance) P-C4' energy: -53.847 flat angles C4'-P-C4' energy: -70.983 flat angles P-C4'-P energy: -34.864 tors. eta vs tors. theta energy: -67.759 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: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -685.003465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.003465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.003465 (E_RNA) where: Base-Base interactions energy: -424.840 where: short stacking energy: -197.552 Base-Backbone interact. energy: -1.365 local terms energy: -258.798708 where: bonds (distance) C4'-P energy: -49.655 bonds (distance) P-C4' energy: -64.220 flat angles C4'-P-C4' energy: -58.822 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -45.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -638.839885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.839885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.839885 (E_RNA) where: Base-Base interactions energy: -404.736 where: short stacking energy: -203.957 Base-Backbone interact. energy: 2.184 local terms energy: -236.287128 where: bonds (distance) C4'-P energy: -46.309 bonds (distance) P-C4' energy: -54.327 flat angles C4'-P-C4' energy: -54.440 flat angles P-C4'-P energy: -34.603 tors. eta vs tors. theta energy: -46.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -588.474210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.474210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.474210 (E_RNA) where: Base-Base interactions energy: -349.035 where: short stacking energy: -161.302 Base-Backbone interact. energy: 2.587 local terms energy: -242.025830 where: bonds (distance) C4'-P energy: -56.843 bonds (distance) P-C4' energy: -52.070 flat angles C4'-P-C4' energy: -65.821 flat angles P-C4'-P energy: -34.028 tors. eta vs tors. theta energy: -33.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -532.097050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.097050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.097050 (E_RNA) where: Base-Base interactions energy: -302.215 where: short stacking energy: -144.772 Base-Backbone interact. energy: 1.819 local terms energy: -231.701144 where: bonds (distance) C4'-P energy: -45.555 bonds (distance) P-C4' energy: -66.627 flat angles C4'-P-C4' energy: -60.800 flat angles P-C4'-P energy: -37.063 tors. eta vs tors. theta energy: -21.656 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: 9, replica: 3 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -300.937930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.937930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.937930 (E_RNA) where: Base-Base interactions energy: -136.058 where: short stacking energy: -107.128 Base-Backbone interact. energy: 5.920 local terms energy: -170.799330 where: bonds (distance) C4'-P energy: -39.667 bonds (distance) P-C4' energy: -50.993 flat angles C4'-P-C4' energy: -42.764 flat angles P-C4'-P energy: -33.232 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -339.695268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.695268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.695268 (E_RNA) where: Base-Base interactions energy: -170.645 where: short stacking energy: -115.549 Base-Backbone interact. energy: -1.486 local terms energy: -167.564886 where: bonds (distance) C4'-P energy: -30.183 bonds (distance) P-C4' energy: -63.739 flat angles C4'-P-C4' energy: -42.958 flat angles P-C4'-P energy: -21.373 tors. eta vs tors. theta energy: -9.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1004.061766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.061766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.061766 (E_RNA) where: Base-Base interactions energy: -686.120 where: short stacking energy: -279.475 Base-Backbone interact. energy: 1.133 local terms energy: -319.075299 where: bonds (distance) C4'-P energy: -59.668 bonds (distance) P-C4' energy: -61.347 flat angles C4'-P-C4' energy: -71.124 flat angles P-C4'-P energy: -44.623 tors. eta vs tors. theta energy: -82.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -925.377677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.377677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.377677 (E_RNA) where: Base-Base interactions energy: -606.251 where: short stacking energy: -276.079 Base-Backbone interact. energy: 0.362 local terms energy: -319.488469 where: bonds (distance) C4'-P energy: -67.855 bonds (distance) P-C4' energy: -65.310 flat angles C4'-P-C4' energy: -65.120 flat angles P-C4'-P energy: -35.969 tors. eta vs tors. theta energy: -85.234 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: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -880.802289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.802289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.802289 (E_RNA) where: Base-Base interactions energy: -562.847 where: short stacking energy: -263.747 Base-Backbone interact. energy: -0.799 local terms energy: -317.156086 where: bonds (distance) C4'-P energy: -66.049 bonds (distance) P-C4' energy: -58.033 flat angles C4'-P-C4' energy: -69.295 flat angles P-C4'-P energy: -44.692 tors. eta vs tors. theta energy: -79.087 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: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -893.285669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.285669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.285669 (E_RNA) where: Base-Base interactions energy: -592.235 where: short stacking energy: -258.112 Base-Backbone interact. energy: -0.137 local terms energy: -300.914069 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -58.914 flat angles P-C4'-P energy: -44.115 tors. eta vs tors. theta energy: -67.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -695.760990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.760990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.760990 (E_RNA) where: Base-Base interactions energy: -446.747 where: short stacking energy: -202.061 Base-Backbone interact. energy: -0.514 local terms energy: -248.499479 where: bonds (distance) C4'-P energy: -53.298 bonds (distance) P-C4' energy: -48.495 flat angles C4'-P-C4' energy: -61.689 flat angles P-C4'-P energy: -38.448 tors. eta vs tors. theta energy: -46.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -702.603913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.603913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.603913 (E_RNA) where: Base-Base interactions energy: -456.604 where: short stacking energy: -194.516 Base-Backbone interact. energy: -1.712 local terms energy: -244.287626 where: bonds (distance) C4'-P energy: -49.403 bonds (distance) P-C4' energy: -49.043 flat angles C4'-P-C4' energy: -62.527 flat angles P-C4'-P energy: -39.107 tors. eta vs tors. theta energy: -44.208 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: 73 Temperature: 1.200000 Total energy: -555.209275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.209275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.209275 (E_RNA) where: Base-Base interactions energy: -313.805 where: short stacking energy: -166.321 Base-Backbone interact. energy: -0.307 local terms energy: -241.097286 where: bonds (distance) C4'-P energy: -66.192 bonds (distance) P-C4' energy: -57.528 flat angles C4'-P-C4' energy: -57.315 flat angles P-C4'-P energy: -25.075 tors. eta vs tors. theta energy: -34.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -482.262954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.262954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.262954 (E_RNA) where: Base-Base interactions energy: -273.151 where: short stacking energy: -129.367 Base-Backbone interact. energy: -1.152 local terms energy: -207.959687 where: bonds (distance) C4'-P energy: -50.972 bonds (distance) P-C4' energy: -52.431 flat angles C4'-P-C4' energy: -54.588 flat angles P-C4'-P energy: -38.413 tors. eta vs tors. theta energy: -11.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -308.099611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.099611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.099611 (E_RNA) where: Base-Base interactions energy: -113.065 where: short stacking energy: -94.066 Base-Backbone interact. energy: 2.398 local terms energy: -197.432548 where: bonds (distance) C4'-P energy: -51.970 bonds (distance) P-C4' energy: -54.344 flat angles C4'-P-C4' energy: -54.787 flat angles P-C4'-P energy: -29.067 tors. eta vs tors. theta energy: -7.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -322.945768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.945768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.945768 (E_RNA) where: Base-Base interactions energy: -141.398 where: short stacking energy: -98.210 Base-Backbone interact. energy: -0.303 local terms energy: -181.244917 where: bonds (distance) C4'-P energy: -49.578 bonds (distance) P-C4' energy: -56.027 flat angles C4'-P-C4' energy: -41.150 flat angles P-C4'-P energy: -28.190 tors. eta vs tors. theta energy: -6.300 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: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1014.037776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.037776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.037776 (E_RNA) where: Base-Base interactions energy: -667.477 where: short stacking energy: -288.096 Base-Backbone interact. energy: -1.029 local terms energy: -345.532033 where: bonds (distance) C4'-P energy: -64.178 bonds (distance) P-C4' energy: -64.184 flat angles C4'-P-C4' energy: -73.866 flat angles P-C4'-P energy: -60.871 tors. eta vs tors. theta energy: -82.432 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: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -937.017976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.017976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.017976 (E_RNA) where: Base-Base interactions energy: -601.717 where: short stacking energy: -280.093 Base-Backbone interact. energy: -2.235 local terms energy: -333.065904 where: bonds (distance) C4'-P energy: -58.501 bonds (distance) P-C4' energy: -62.237 flat angles C4'-P-C4' energy: -79.848 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -83.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -925.632518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.632518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.632518 (E_RNA) where: Base-Base interactions energy: -613.328 where: short stacking energy: -278.682 Base-Backbone interact. energy: 0.632 local terms energy: -312.935994 where: bonds (distance) C4'-P energy: -62.884 bonds (distance) P-C4' energy: -62.054 flat angles C4'-P-C4' energy: -66.168 flat angles P-C4'-P energy: -44.993 tors. eta vs tors. theta energy: -76.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -869.726988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.726988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.726988 (E_RNA) where: Base-Base interactions energy: -561.319 where: short stacking energy: -246.123 Base-Backbone interact. energy: -0.866 local terms energy: -307.541597 where: bonds (distance) C4'-P energy: -60.209 bonds (distance) P-C4' energy: -59.787 flat angles C4'-P-C4' energy: -67.761 flat angles P-C4'-P energy: -51.496 tors. eta vs tors. theta energy: -68.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -789.949217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.949217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.949217 (E_RNA) where: Base-Base interactions energy: -508.600 where: short stacking energy: -226.903 Base-Backbone interact. energy: -0.618 local terms energy: -280.731755 where: bonds (distance) C4'-P energy: -45.025 bonds (distance) P-C4' energy: -70.219 flat angles C4'-P-C4' energy: -64.487 flat angles P-C4'-P energy: -44.704 tors. eta vs tors. theta energy: -56.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -675.129090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.129090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.129090 (E_RNA) where: Base-Base interactions energy: -446.014 where: short stacking energy: -169.069 Base-Backbone interact. energy: -0.084 local terms energy: -229.030676 where: bonds (distance) C4'-P energy: -62.637 bonds (distance) P-C4' energy: -44.402 flat angles C4'-P-C4' energy: -50.974 flat angles P-C4'-P energy: -33.004 tors. eta vs tors. theta energy: -38.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -509.212934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.212934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.212934 (E_RNA) where: Base-Base interactions energy: -278.072 where: short stacking energy: -150.430 Base-Backbone interact. energy: -0.934 local terms energy: -230.206533 where: bonds (distance) C4'-P energy: -52.113 bonds (distance) P-C4' energy: -55.967 flat angles C4'-P-C4' energy: -56.903 flat angles P-C4'-P energy: -36.649 tors. eta vs tors. theta energy: -28.574 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: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -541.595534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.595534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.595534 (E_RNA) where: Base-Base interactions energy: -306.172 where: short stacking energy: -150.820 Base-Backbone interact. energy: -1.442 local terms energy: -233.981124 where: bonds (distance) C4'-P energy: -51.808 bonds (distance) P-C4' energy: -50.361 flat angles C4'-P-C4' energy: -59.287 flat angles P-C4'-P energy: -45.286 tors. eta vs tors. theta energy: -27.239 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: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -331.252747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.252747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.252747 (E_RNA) where: Base-Base interactions energy: -167.670 where: short stacking energy: -76.956 Base-Backbone interact. energy: -0.551 local terms energy: -163.031826 where: bonds (distance) C4'-P energy: -52.714 bonds (distance) P-C4' energy: -41.651 flat angles C4'-P-C4' energy: -38.108 flat angles P-C4'-P energy: -29.356 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -254.744839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.744839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.744839 (E_RNA) where: Base-Base interactions energy: -98.513 where: short stacking energy: -80.703 Base-Backbone interact. energy: -1.181 local terms energy: -155.051250 where: bonds (distance) C4'-P energy: -33.716 bonds (distance) P-C4' energy: -54.853 flat angles C4'-P-C4' energy: -47.197 flat angles P-C4'-P energy: -24.854 tors. eta vs tors. theta energy: 5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1024.351220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.351220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.351220 (E_RNA) where: Base-Base interactions energy: -708.087 where: short stacking energy: -286.615 Base-Backbone interact. energy: 1.068 local terms energy: -317.332602 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -62.112 flat angles C4'-P-C4' energy: -71.202 flat angles P-C4'-P energy: -45.944 tors. eta vs tors. theta energy: -80.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -949.990933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.990933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.990933 (E_RNA) where: Base-Base interactions energy: -631.771 where: short stacking energy: -274.514 Base-Backbone interact. energy: -0.550 local terms energy: -317.669858 where: bonds (distance) C4'-P energy: -55.723 bonds (distance) P-C4' energy: -55.001 flat angles C4'-P-C4' energy: -71.650 flat angles P-C4'-P energy: -47.252 tors. eta vs tors. theta energy: -88.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -903.872528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.872528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.872528 (E_RNA) where: Base-Base interactions energy: -605.928 where: short stacking energy: -265.824 Base-Backbone interact. energy: 0.502 local terms energy: -298.446706 where: bonds (distance) C4'-P energy: -60.829 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -73.517 flat angles P-C4'-P energy: -32.375 tors. eta vs tors. theta energy: -72.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -848.045398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.045398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.045398 (E_RNA) where: Base-Base interactions energy: -572.571 where: short stacking energy: -246.829 Base-Backbone interact. energy: 2.392 local terms energy: -277.866275 where: bonds (distance) C4'-P energy: -57.693 bonds (distance) P-C4' energy: -46.795 flat angles C4'-P-C4' energy: -68.584 flat angles P-C4'-P energy: -39.327 tors. eta vs tors. theta energy: -65.468 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: 7 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -740.449560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.449560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.449560 (E_RNA) where: Base-Base interactions energy: -473.401 where: short stacking energy: -217.953 Base-Backbone interact. energy: -0.812 local terms energy: -266.236700 where: bonds (distance) C4'-P energy: -57.698 bonds (distance) P-C4' energy: -56.167 flat angles C4'-P-C4' energy: -56.255 flat angles P-C4'-P energy: -42.088 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: 6, replica: 10 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -674.291019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.291019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.291019 (E_RNA) where: Base-Base interactions energy: -406.418 where: short stacking energy: -189.458 Base-Backbone interact. energy: -0.766 local terms energy: -267.107960 where: bonds (distance) C4'-P energy: -56.354 bonds (distance) P-C4' energy: -61.747 flat angles C4'-P-C4' energy: -54.864 flat angles P-C4'-P energy: -38.726 tors. eta vs tors. theta energy: -55.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -505.140754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.140754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.140754 (E_RNA) where: Base-Base interactions energy: -302.286 where: short stacking energy: -157.143 Base-Backbone interact. energy: -1.237 local terms energy: -201.617815 where: bonds (distance) C4'-P energy: -54.960 bonds (distance) P-C4' energy: -41.488 flat angles C4'-P-C4' energy: -47.863 flat angles P-C4'-P energy: -33.804 tors. eta vs tors. theta energy: -23.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -490.345954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.345954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.345954 (E_RNA) where: Base-Base interactions energy: -276.457 where: short stacking energy: -132.116 Base-Backbone interact. energy: -1.085 local terms energy: -212.803082 where: bonds (distance) C4'-P energy: -53.724 bonds (distance) P-C4' energy: -61.980 flat angles C4'-P-C4' energy: -54.102 flat angles P-C4'-P energy: -24.239 tors. eta vs tors. theta energy: -18.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -338.824746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.824746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.824746 (E_RNA) where: Base-Base interactions energy: -182.497 where: short stacking energy: -113.303 Base-Backbone interact. energy: 1.306 local terms energy: -157.633454 where: bonds (distance) C4'-P energy: -34.423 bonds (distance) P-C4' energy: -51.571 flat angles C4'-P-C4' energy: -35.028 flat angles P-C4'-P energy: -34.060 tors. eta vs tors. theta energy: -2.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -255.044107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.044107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.044107 (E_RNA) where: Base-Base interactions energy: -69.690 where: short stacking energy: -54.989 Base-Backbone interact. energy: -1.885 local terms energy: -183.468540 where: bonds (distance) C4'-P energy: -57.434 bonds (distance) P-C4' energy: -65.898 flat angles C4'-P-C4' energy: -35.843 flat angles P-C4'-P energy: -32.629 tors. eta vs tors. theta energy: 8.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1023.375889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.375889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.375889 (E_RNA) where: Base-Base interactions energy: -687.116 where: short stacking energy: -281.032 Base-Backbone interact. energy: -0.639 local terms energy: -335.620740 where: bonds (distance) C4'-P energy: -59.850 bonds (distance) P-C4' energy: -63.411 flat angles C4'-P-C4' energy: -74.574 flat angles P-C4'-P energy: -45.602 tors. eta vs tors. theta energy: -92.184 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: 2 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -947.044919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.044919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.044919 (E_RNA) where: Base-Base interactions energy: -638.781 where: short stacking energy: -282.193 Base-Backbone interact. energy: -0.450 local terms energy: -307.814065 where: bonds (distance) C4'-P energy: -57.317 bonds (distance) P-C4' energy: -65.148 flat angles C4'-P-C4' energy: -63.778 flat angles P-C4'-P energy: -37.426 tors. eta vs tors. theta energy: -84.145 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: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -935.671897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.671897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.671897 (E_RNA) where: Base-Base interactions energy: -616.291 where: short stacking energy: -261.056 Base-Backbone interact. energy: -0.072 local terms energy: -319.309283 where: bonds (distance) C4'-P energy: -61.307 bonds (distance) P-C4' energy: -66.486 flat angles C4'-P-C4' energy: -67.008 flat angles P-C4'-P energy: -46.126 tors. eta vs tors. theta energy: -78.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -920.247261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.247261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.247261 (E_RNA) where: Base-Base interactions energy: -619.191 where: short stacking energy: -262.424 Base-Backbone interact. energy: 1.128 local terms energy: -302.184271 where: bonds (distance) C4'-P energy: -61.713 bonds (distance) P-C4' energy: -53.857 flat angles C4'-P-C4' energy: -72.907 flat angles P-C4'-P energy: -41.961 tors. eta vs tors. theta energy: -71.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -748.324967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.324967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.324967 (E_RNA) where: Base-Base interactions energy: -475.457 where: short stacking energy: -199.927 Base-Backbone interact. energy: -1.429 local terms energy: -271.438335 where: bonds (distance) C4'-P energy: -55.113 bonds (distance) P-C4' energy: -60.777 flat angles C4'-P-C4' energy: -61.452 flat angles P-C4'-P energy: -41.366 tors. eta vs tors. theta energy: -52.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -739.908755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.908755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.908755 (E_RNA) where: Base-Base interactions energy: -453.018 where: short stacking energy: -218.968 Base-Backbone interact. energy: 0.744 local terms energy: -287.634766 where: bonds (distance) C4'-P energy: -56.343 bonds (distance) P-C4' energy: -61.563 flat angles C4'-P-C4' energy: -57.559 flat angles P-C4'-P energy: -45.592 tors. eta vs tors. theta energy: -66.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -549.875205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.875205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.875205 (E_RNA) where: Base-Base interactions energy: -306.759 where: short stacking energy: -163.282 Base-Backbone interact. energy: -0.857 local terms energy: -242.259382 where: bonds (distance) C4'-P energy: -61.875 bonds (distance) P-C4' energy: -49.717 flat angles C4'-P-C4' energy: -63.331 flat angles P-C4'-P energy: -40.343 tors. eta vs tors. theta energy: -26.994 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: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -500.894627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.894627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.894627 (E_RNA) where: Base-Base interactions energy: -273.373 where: short stacking energy: -150.926 Base-Backbone interact. energy: 2.985 local terms energy: -230.506510 where: bonds (distance) C4'-P energy: -51.551 bonds (distance) P-C4' energy: -63.078 flat angles C4'-P-C4' energy: -56.577 flat angles P-C4'-P energy: -32.934 tors. eta vs tors. theta energy: -26.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -336.164857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.164857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.164857 (E_RNA) where: Base-Base interactions energy: -166.763 where: short stacking energy: -107.308 Base-Backbone interact. energy: -1.081 local terms energy: -168.321145 where: bonds (distance) C4'-P energy: -42.678 bonds (distance) P-C4' energy: -47.181 flat angles C4'-P-C4' energy: -50.643 flat angles P-C4'-P energy: -28.273 tors. eta vs tors. theta energy: 0.454 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: 10, replica: 3 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -260.929569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.929569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.929569 (E_RNA) where: Base-Base interactions energy: -94.082 where: short stacking energy: -74.464 Base-Backbone interact. energy: 2.247 local terms energy: -169.094332 where: bonds (distance) C4'-P energy: -46.290 bonds (distance) P-C4' energy: -59.367 flat angles C4'-P-C4' energy: -34.950 flat angles P-C4'-P energy: -33.147 tors. eta vs tors. theta energy: 4.659 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: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1043.450374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.450374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.450374 (E_RNA) where: Base-Base interactions energy: -709.684 where: short stacking energy: -298.013 Base-Backbone interact. energy: -0.908 local terms energy: -332.858613 where: bonds (distance) C4'-P energy: -60.538 bonds (distance) P-C4' energy: -63.122 flat angles C4'-P-C4' energy: -67.910 flat angles P-C4'-P energy: -53.013 tors. eta vs tors. theta energy: -88.276 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: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -932.982870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.982870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.982870 (E_RNA) where: Base-Base interactions energy: -622.051 where: short stacking energy: -269.868 Base-Backbone interact. energy: -2.226 local terms energy: -308.705371 where: bonds (distance) C4'-P energy: -68.740 bonds (distance) P-C4' energy: -53.686 flat angles C4'-P-C4' energy: -66.520 flat angles P-C4'-P energy: -43.928 tors. eta vs tors. theta energy: -75.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -916.543691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.543691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.543691 (E_RNA) where: Base-Base interactions energy: -606.538 where: short stacking energy: -269.517 Base-Backbone interact. energy: -1.681 local terms energy: -308.325229 where: bonds (distance) C4'-P energy: -52.794 bonds (distance) P-C4' energy: -61.768 flat angles C4'-P-C4' energy: -69.067 flat angles P-C4'-P energy: -38.379 tors. eta vs tors. theta energy: -86.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -890.664913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.664913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.664913 (E_RNA) where: Base-Base interactions energy: -582.500 where: short stacking energy: -238.539 Base-Backbone interact. energy: -2.032 local terms energy: -306.133445 where: bonds (distance) C4'-P energy: -75.277 bonds (distance) P-C4' energy: -54.447 flat angles C4'-P-C4' energy: -62.748 flat angles P-C4'-P energy: -41.255 tors. eta vs tors. theta energy: -72.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -817.136433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.136433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.136433 (E_RNA) where: Base-Base interactions energy: -561.829 where: short stacking energy: -229.958 Base-Backbone interact. energy: -0.932 local terms energy: -254.375245 where: bonds (distance) C4'-P energy: -40.562 bonds (distance) P-C4' energy: -56.058 flat angles C4'-P-C4' energy: -59.853 flat angles P-C4'-P energy: -35.041 tors. eta vs tors. theta energy: -62.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -671.628078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.628078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.628078 (E_RNA) where: Base-Base interactions energy: -437.256 where: short stacking energy: -208.342 Base-Backbone interact. energy: -0.036 local terms energy: -234.335570 where: bonds (distance) C4'-P energy: -47.108 bonds (distance) P-C4' energy: -44.346 flat angles C4'-P-C4' energy: -54.511 flat angles P-C4'-P energy: -43.784 tors. eta vs tors. theta energy: -44.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -527.923853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.923853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.923853 (E_RNA) where: Base-Base interactions energy: -285.764 where: short stacking energy: -155.009 Base-Backbone interact. energy: -1.174 local terms energy: -240.985492 where: bonds (distance) C4'-P energy: -61.743 bonds (distance) P-C4' energy: -66.720 flat angles C4'-P-C4' energy: -59.265 flat angles P-C4'-P energy: -24.499 tors. eta vs tors. theta energy: -28.758 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: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -499.737917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.737917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.737917 (E_RNA) where: Base-Base interactions energy: -287.376 where: short stacking energy: -137.572 Base-Backbone interact. energy: -0.962 local terms energy: -211.399592 where: bonds (distance) C4'-P energy: -47.500 bonds (distance) P-C4' energy: -43.802 flat angles C4'-P-C4' energy: -63.880 flat angles P-C4'-P energy: -29.655 tors. eta vs tors. theta energy: -26.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -341.916617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.916617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.916617 (E_RNA) where: Base-Base interactions energy: -158.147 where: short stacking energy: -89.811 Base-Backbone interact. energy: -1.844 local terms energy: -181.926298 where: bonds (distance) C4'-P energy: -49.783 bonds (distance) P-C4' energy: -51.746 flat angles C4'-P-C4' energy: -43.946 flat angles P-C4'-P energy: -30.872 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: 10, replica: 3 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -262.813299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.813299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.813299 (E_RNA) where: Base-Base interactions energy: -95.974 where: short stacking energy: -74.019 Base-Backbone interact. energy: 0.664 local terms energy: -167.502654 where: bonds (distance) C4'-P energy: -44.849 bonds (distance) P-C4' energy: -49.618 flat angles C4'-P-C4' energy: -47.375 flat angles P-C4'-P energy: -18.684 tors. eta vs tors. theta energy: -6.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1020.686594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.686594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.686594 (E_RNA) where: Base-Base interactions energy: -694.101 where: short stacking energy: -285.314 Base-Backbone interact. energy: -1.259 local terms energy: -325.326840 where: bonds (distance) C4'-P energy: -66.256 bonds (distance) P-C4' energy: -67.776 flat angles C4'-P-C4' energy: -66.118 flat angles P-C4'-P energy: -42.248 tors. eta vs tors. theta energy: -82.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -939.096087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.096087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.096087 (E_RNA) where: Base-Base interactions energy: -628.693 where: short stacking energy: -269.360 Base-Backbone interact. energy: -1.469 local terms energy: -308.933768 where: bonds (distance) C4'-P energy: -58.932 bonds (distance) P-C4' energy: -66.401 flat angles C4'-P-C4' energy: -70.143 flat angles P-C4'-P energy: -50.339 tors. eta vs tors. theta energy: -63.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -926.430017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.430017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.430017 (E_RNA) where: Base-Base interactions energy: -619.032 where: short stacking energy: -261.327 Base-Backbone interact. energy: 3.887 local terms energy: -311.285757 where: bonds (distance) C4'-P energy: -61.112 bonds (distance) P-C4' energy: -64.282 flat angles C4'-P-C4' energy: -55.488 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -82.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -895.038866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.038866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.038866 (E_RNA) where: Base-Base interactions energy: -601.273 where: short stacking energy: -266.408 Base-Backbone interact. energy: -0.558 local terms energy: -293.207791 where: bonds (distance) C4'-P energy: -51.950 bonds (distance) P-C4' energy: -46.856 flat angles C4'-P-C4' energy: -69.398 flat angles P-C4'-P energy: -46.838 tors. eta vs tors. theta energy: -78.165 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: 10 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -834.755818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.755818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.755818 (E_RNA) where: Base-Base interactions energy: -527.710 where: short stacking energy: -224.883 Base-Backbone interact. energy: -1.536 local terms energy: -305.509963 where: bonds (distance) C4'-P energy: -53.535 bonds (distance) P-C4' energy: -68.333 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -42.721 tors. eta vs tors. theta energy: -72.220 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: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -696.624293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.624293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.624293 (E_RNA) where: Base-Base interactions energy: -438.057 where: short stacking energy: -198.638 Base-Backbone interact. energy: -0.729 local terms energy: -257.837927 where: bonds (distance) C4'-P energy: -64.807 bonds (distance) P-C4' energy: -46.790 flat angles C4'-P-C4' energy: -56.766 flat angles P-C4'-P energy: -30.270 tors. eta vs tors. theta energy: -59.206 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: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -522.568962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.568962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.568962 (E_RNA) where: Base-Base interactions energy: -297.504 where: short stacking energy: -145.834 Base-Backbone interact. energy: -1.308 local terms energy: -223.756803 where: bonds (distance) C4'-P energy: -65.320 bonds (distance) P-C4' energy: -49.964 flat angles C4'-P-C4' energy: -55.059 flat angles P-C4'-P energy: -24.663 tors. eta vs tors. theta energy: -28.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -477.052412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.052412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.052412 (E_RNA) where: Base-Base interactions energy: -259.596 where: short stacking energy: -135.462 Base-Backbone interact. energy: 3.449 local terms energy: -220.905759 where: bonds (distance) C4'-P energy: -59.051 bonds (distance) P-C4' energy: -67.016 flat angles C4'-P-C4' energy: -45.279 flat angles P-C4'-P energy: -26.592 tors. eta vs tors. theta energy: -22.968 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: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -352.634345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.634345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.634345 (E_RNA) where: Base-Base interactions energy: -178.644 where: short stacking energy: -106.075 Base-Backbone interact. energy: -1.185 local terms energy: -172.805014 where: bonds (distance) C4'-P energy: -35.552 bonds (distance) P-C4' energy: -59.303 flat angles C4'-P-C4' energy: -39.889 flat angles P-C4'-P energy: -21.894 tors. eta vs tors. theta energy: -16.166 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: 3 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -284.216914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.216914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.216914 (E_RNA) where: Base-Base interactions energy: -112.329 where: short stacking energy: -66.839 Base-Backbone interact. energy: -1.050 local terms energy: -170.837764 where: bonds (distance) C4'-P energy: -54.568 bonds (distance) P-C4' energy: -49.914 flat angles C4'-P-C4' energy: -46.237 flat angles P-C4'-P energy: -36.329 tors. eta vs tors. theta energy: 16.210 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: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1024.855764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.855764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.855764 (E_RNA) where: Base-Base interactions energy: -689.794 where: short stacking energy: -288.775 Base-Backbone interact. energy: -2.536 local terms energy: -332.526505 where: bonds (distance) C4'-P energy: -53.515 bonds (distance) P-C4' energy: -62.704 flat angles C4'-P-C4' energy: -76.953 flat angles P-C4'-P energy: -44.623 tors. eta vs tors. theta energy: -94.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -939.449858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.449858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.449858 (E_RNA) where: Base-Base interactions energy: -620.047 where: short stacking energy: -272.832 Base-Backbone interact. energy: -2.682 local terms energy: -316.721041 where: bonds (distance) C4'-P energy: -70.119 bonds (distance) P-C4' energy: -53.494 flat angles C4'-P-C4' energy: -64.817 flat angles P-C4'-P energy: -42.948 tors. eta vs tors. theta energy: -85.344 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: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -944.644175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.644175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.644175 (E_RNA) where: Base-Base interactions energy: -636.263 where: short stacking energy: -283.655 Base-Backbone interact. energy: -0.029 local terms energy: -308.352314 where: bonds (distance) C4'-P energy: -63.653 bonds (distance) P-C4' energy: -59.521 flat angles C4'-P-C4' energy: -52.879 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: -85.845 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: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -900.928592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.928592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.928592 (E_RNA) where: Base-Base interactions energy: -601.641 where: short stacking energy: -244.694 Base-Backbone interact. energy: -1.666 local terms energy: -297.621796 where: bonds (distance) C4'-P energy: -61.295 bonds (distance) P-C4' energy: -57.590 flat angles C4'-P-C4' energy: -60.841 flat angles P-C4'-P energy: -46.725 tors. eta vs tors. theta energy: -71.171 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: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -806.104500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.104500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.104500 (E_RNA) where: Base-Base interactions energy: -542.604 where: short stacking energy: -219.135 Base-Backbone interact. energy: -1.248 local terms energy: -262.252721 where: bonds (distance) C4'-P energy: -57.805 bonds (distance) P-C4' energy: -51.029 flat angles C4'-P-C4' energy: -53.786 flat angles P-C4'-P energy: -38.262 tors. eta vs tors. theta energy: -61.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -705.501857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.501857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.501857 (E_RNA) where: Base-Base interactions energy: -464.892 where: short stacking energy: -191.060 Base-Backbone interact. energy: -1.528 local terms energy: -239.082487 where: bonds (distance) C4'-P energy: -50.396 bonds (distance) P-C4' energy: -54.643 flat angles C4'-P-C4' energy: -54.251 flat angles P-C4'-P energy: -29.510 tors. eta vs tors. theta energy: -50.282 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: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -560.308676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.308676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.308676 (E_RNA) where: Base-Base interactions energy: -319.886 where: short stacking energy: -161.474 Base-Backbone interact. energy: -3.596 local terms energy: -236.826875 where: bonds (distance) C4'-P energy: -54.380 bonds (distance) P-C4' energy: -66.573 flat angles C4'-P-C4' energy: -55.007 flat angles P-C4'-P energy: -28.177 tors. eta vs tors. theta energy: -32.689 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: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -452.033981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.033981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.033981 (E_RNA) where: Base-Base interactions energy: -261.490 where: short stacking energy: -143.147 Base-Backbone interact. energy: 1.101 local terms energy: -191.644311 where: bonds (distance) C4'-P energy: -57.257 bonds (distance) P-C4' energy: -43.625 flat angles C4'-P-C4' energy: -47.012 flat angles P-C4'-P energy: -32.268 tors. eta vs tors. theta energy: -11.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -347.794716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.794716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.794716 (E_RNA) where: Base-Base interactions energy: -159.632 where: short stacking energy: -85.134 Base-Backbone interact. energy: -2.159 local terms energy: -186.003849 where: bonds (distance) C4'-P energy: -53.919 bonds (distance) P-C4' energy: -59.219 flat angles C4'-P-C4' energy: -56.032 flat angles P-C4'-P energy: -16.105 tors. eta vs tors. theta energy: -0.729 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: 3 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -241.713180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.713180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.713180 (E_RNA) where: Base-Base interactions energy: -78.892 where: short stacking energy: -61.309 Base-Backbone interact. energy: -1.526 local terms energy: -161.295135 where: bonds (distance) C4'-P energy: -37.576 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -37.811 flat angles P-C4'-P energy: -34.320 tors. eta vs tors. theta energy: 8.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1041.179351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.179351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.179351 (E_RNA) where: Base-Base interactions energy: -699.187 where: short stacking energy: -275.869 Base-Backbone interact. energy: -2.113 local terms energy: -339.878800 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -63.479 flat angles C4'-P-C4' energy: -75.072 flat angles P-C4'-P energy: -37.944 tors. eta vs tors. theta energy: -89.145 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: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -961.374121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.374121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.374121 (E_RNA) where: Base-Base interactions energy: -648.190 where: short stacking energy: -279.174 Base-Backbone interact. energy: -1.112 local terms energy: -312.072642 where: bonds (distance) C4'-P energy: -56.651 bonds (distance) P-C4' energy: -62.143 flat angles C4'-P-C4' energy: -71.984 flat angles P-C4'-P energy: -45.606 tors. eta vs tors. theta energy: -75.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -920.330644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.330644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.330644 (E_RNA) where: Base-Base interactions energy: -610.457 where: short stacking energy: -276.983 Base-Backbone interact. energy: -1.385 local terms energy: -308.488899 where: bonds (distance) C4'-P energy: -66.403 bonds (distance) P-C4' energy: -58.660 flat angles C4'-P-C4' energy: -63.696 flat angles P-C4'-P energy: -39.205 tors. eta vs tors. theta energy: -80.525 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: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -850.001719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.001719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.001719 (E_RNA) where: Base-Base interactions energy: -564.704 where: short stacking energy: -236.406 Base-Backbone interact. energy: 1.917 local terms energy: -287.214762 where: bonds (distance) C4'-P energy: -54.012 bonds (distance) P-C4' energy: -59.368 flat angles C4'-P-C4' energy: -59.169 flat angles P-C4'-P energy: -49.254 tors. eta vs tors. theta energy: -65.412 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: 10 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -796.775913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.775913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.775913 (E_RNA) where: Base-Base interactions energy: -526.239 where: short stacking energy: -236.745 Base-Backbone interact. energy: -2.634 local terms energy: -267.902309 where: bonds (distance) C4'-P energy: -59.693 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -50.808 flat angles P-C4'-P energy: -31.469 tors. eta vs tors. theta energy: -60.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -689.056086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.056086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.056086 (E_RNA) where: Base-Base interactions energy: -452.776 where: short stacking energy: -183.199 Base-Backbone interact. energy: -0.206 local terms energy: -236.074342 where: bonds (distance) C4'-P energy: -49.123 bonds (distance) P-C4' energy: -49.528 flat angles C4'-P-C4' energy: -53.178 flat angles P-C4'-P energy: -40.061 tors. eta vs tors. theta energy: -44.185 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: 7, replica: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -551.879600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.879600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.879600 (E_RNA) where: Base-Base interactions energy: -330.276 where: short stacking energy: -163.991 Base-Backbone interact. energy: -0.781 local terms energy: -220.822491 where: bonds (distance) C4'-P energy: -62.446 bonds (distance) P-C4' energy: -52.618 flat angles C4'-P-C4' energy: -53.521 flat angles P-C4'-P energy: -26.777 tors. eta vs tors. theta energy: -25.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -505.070857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.070857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.070857 (E_RNA) where: Base-Base interactions energy: -317.469 where: short stacking energy: -134.413 Base-Backbone interact. energy: 0.507 local terms energy: -188.108822 where: bonds (distance) C4'-P energy: -43.111 bonds (distance) P-C4' energy: -47.748 flat angles C4'-P-C4' energy: -41.403 flat angles P-C4'-P energy: -41.931 tors. eta vs tors. theta energy: -13.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -365.749544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.749544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.749544 (E_RNA) where: Base-Base interactions energy: -167.934 where: short stacking energy: -114.016 Base-Backbone interact. energy: -0.904 local terms energy: -196.911500 where: bonds (distance) C4'-P energy: -37.508 bonds (distance) P-C4' energy: -55.139 flat angles C4'-P-C4' energy: -57.774 flat angles P-C4'-P energy: -31.911 tors. eta vs tors. theta energy: -14.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -257.900061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.900061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.900061 (E_RNA) where: Base-Base interactions energy: -64.522 where: short stacking energy: -58.404 Base-Backbone interact. energy: 2.712 local terms energy: -196.089435 where: bonds (distance) C4'-P energy: -47.692 bonds (distance) P-C4' energy: -67.288 flat angles C4'-P-C4' energy: -53.073 flat angles P-C4'-P energy: -28.972 tors. eta vs tors. theta energy: 0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1052.211892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.211892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.211892 (E_RNA) where: Base-Base interactions energy: -734.933 where: short stacking energy: -293.455 Base-Backbone interact. energy: -1.452 local terms energy: -315.827164 where: bonds (distance) C4'-P energy: -61.218 bonds (distance) P-C4' energy: -60.758 flat angles C4'-P-C4' energy: -66.377 flat angles P-C4'-P energy: -37.760 tors. eta vs tors. theta energy: -89.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -961.238738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.238738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.238738 (E_RNA) where: Base-Base interactions energy: -643.638 where: short stacking energy: -269.176 Base-Backbone interact. energy: -1.538 local terms energy: -316.062732 where: bonds (distance) C4'-P energy: -62.185 bonds (distance) P-C4' energy: -65.928 flat angles C4'-P-C4' energy: -69.782 flat angles P-C4'-P energy: -45.188 tors. eta vs tors. theta energy: -72.980 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: 3, replica: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -905.692765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.692765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.692765 (E_RNA) where: Base-Base interactions energy: -602.414 where: short stacking energy: -270.286 Base-Backbone interact. energy: -1.502 local terms energy: -301.776323 where: bonds (distance) C4'-P energy: -54.260 bonds (distance) P-C4' energy: -58.851 flat angles C4'-P-C4' energy: -60.719 flat angles P-C4'-P energy: -38.951 tors. eta vs tors. theta energy: -88.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -888.804804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.804804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.804804 (E_RNA) where: Base-Base interactions energy: -603.090 where: short stacking energy: -251.706 Base-Backbone interact. energy: 0.596 local terms energy: -286.311251 where: bonds (distance) C4'-P energy: -59.318 bonds (distance) P-C4' energy: -55.062 flat angles C4'-P-C4' energy: -70.519 flat angles P-C4'-P energy: -38.949 tors. eta vs tors. theta energy: -62.463 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: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -806.189216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.189216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.189216 (E_RNA) where: Base-Base interactions energy: -523.671 where: short stacking energy: -246.051 Base-Backbone interact. energy: -0.689 local terms energy: -281.829355 where: bonds (distance) C4'-P energy: -45.231 bonds (distance) P-C4' energy: -54.041 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -46.148 tors. eta vs tors. theta energy: -69.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -703.137702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.137702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.137702 (E_RNA) where: Base-Base interactions energy: -449.527 where: short stacking energy: -187.850 Base-Backbone interact. energy: -1.110 local terms energy: -252.500974 where: bonds (distance) C4'-P energy: -51.068 bonds (distance) P-C4' energy: -53.042 flat angles C4'-P-C4' energy: -59.800 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -46.727 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: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -564.222290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.222290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.222290 (E_RNA) where: Base-Base interactions energy: -331.858 where: short stacking energy: -155.426 Base-Backbone interact. energy: -0.284 local terms energy: -232.080177 where: bonds (distance) C4'-P energy: -54.425 bonds (distance) P-C4' energy: -56.734 flat angles C4'-P-C4' energy: -64.683 flat angles P-C4'-P energy: -29.763 tors. eta vs tors. theta energy: -26.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -512.312078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.312078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.312078 (E_RNA) where: Base-Base interactions energy: -314.505 where: short stacking energy: -140.386 Base-Backbone interact. energy: 3.225 local terms energy: -201.031933 where: bonds (distance) C4'-P energy: -54.920 bonds (distance) P-C4' energy: -55.647 flat angles C4'-P-C4' energy: -36.750 flat angles P-C4'-P energy: -30.460 tors. eta vs tors. theta energy: -23.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -342.327766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.327766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.327766 (E_RNA) where: Base-Base interactions energy: -152.573 where: short stacking energy: -79.498 Base-Backbone interact. energy: -0.405 local terms energy: -189.349658 where: bonds (distance) C4'-P energy: -52.214 bonds (distance) P-C4' energy: -56.288 flat angles C4'-P-C4' energy: -54.605 flat angles P-C4'-P energy: -26.273 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -265.815001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.815001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.815001 (E_RNA) where: Base-Base interactions energy: -105.685 where: short stacking energy: -68.114 Base-Backbone interact. energy: -0.360 local terms energy: -159.769473 where: bonds (distance) C4'-P energy: -55.918 bonds (distance) P-C4' energy: -57.826 flat angles C4'-P-C4' energy: -44.672 flat angles P-C4'-P energy: -23.190 tors. eta vs tors. theta energy: 21.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1044.327409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.327409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.327409 (E_RNA) where: Base-Base interactions energy: -718.889 where: short stacking energy: -284.514 Base-Backbone interact. energy: -1.074 local terms energy: -324.365117 where: bonds (distance) C4'-P energy: -59.083 bonds (distance) P-C4' energy: -58.757 flat angles C4'-P-C4' energy: -75.782 flat angles P-C4'-P energy: -44.770 tors. eta vs tors. theta energy: -85.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -967.295620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.295620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.295620 (E_RNA) where: Base-Base interactions energy: -643.820 where: short stacking energy: -275.177 Base-Backbone interact. energy: -1.632 local terms energy: -321.842887 where: bonds (distance) C4'-P energy: -65.431 bonds (distance) P-C4' energy: -60.823 flat angles C4'-P-C4' energy: -70.066 flat angles P-C4'-P energy: -44.474 tors. eta vs tors. theta energy: -81.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -919.580075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.580075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.580075 (E_RNA) where: Base-Base interactions energy: -599.003 where: short stacking energy: -265.453 Base-Backbone interact. energy: 0.263 local terms energy: -320.840397 where: bonds (distance) C4'-P energy: -49.934 bonds (distance) P-C4' energy: -72.750 flat angles C4'-P-C4' energy: -59.354 flat angles P-C4'-P energy: -49.814 tors. eta vs tors. theta energy: -88.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -896.921465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.921465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.921465 (E_RNA) where: Base-Base interactions energy: -591.429 where: short stacking energy: -254.975 Base-Backbone interact. energy: -1.230 local terms energy: -304.261644 where: bonds (distance) C4'-P energy: -56.483 bonds (distance) P-C4' energy: -53.160 flat angles C4'-P-C4' energy: -65.789 flat angles P-C4'-P energy: -53.471 tors. eta vs tors. theta energy: -75.359 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: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -826.566826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.566826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.566826 (E_RNA) where: Base-Base interactions energy: -542.162 where: short stacking energy: -221.711 Base-Backbone interact. energy: 0.693 local terms energy: -285.097585 where: bonds (distance) C4'-P energy: -53.162 bonds (distance) P-C4' energy: -65.798 flat angles C4'-P-C4' energy: -68.099 flat angles P-C4'-P energy: -37.487 tors. eta vs tors. theta energy: -60.552 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: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -676.425232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.425232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.425232 (E_RNA) where: Base-Base interactions energy: -425.787 where: short stacking energy: -183.955 Base-Backbone interact. energy: -0.940 local terms energy: -249.698523 where: bonds (distance) C4'-P energy: -59.673 bonds (distance) P-C4' energy: -56.933 flat angles C4'-P-C4' energy: -61.618 flat angles P-C4'-P energy: -32.554 tors. eta vs tors. theta energy: -38.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -558.515047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.515047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.515047 (E_RNA) where: Base-Base interactions energy: -320.700 where: short stacking energy: -160.019 Base-Backbone interact. energy: -3.748 local terms energy: -234.066702 where: bonds (distance) C4'-P energy: -56.713 bonds (distance) P-C4' energy: -58.705 flat angles C4'-P-C4' energy: -55.678 flat angles P-C4'-P energy: -32.255 tors. eta vs tors. theta energy: -30.715 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: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -475.925272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.925272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.925272 (E_RNA) where: Base-Base interactions energy: -259.179 where: short stacking energy: -123.812 Base-Backbone interact. energy: -0.834 local terms energy: -215.911488 where: bonds (distance) C4'-P energy: -54.004 bonds (distance) P-C4' energy: -56.076 flat angles C4'-P-C4' energy: -55.630 flat angles P-C4'-P energy: -31.867 tors. eta vs tors. theta energy: -18.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -368.323727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.323727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.323727 (E_RNA) where: Base-Base interactions energy: -167.878 where: short stacking energy: -109.119 Base-Backbone interact. energy: -0.908 local terms energy: -199.538191 where: bonds (distance) C4'-P energy: -63.659 bonds (distance) P-C4' energy: -57.683 flat angles C4'-P-C4' energy: -42.094 flat angles P-C4'-P energy: -30.640 tors. eta vs tors. theta energy: -5.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -254.591408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.591408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.591408 (E_RNA) where: Base-Base interactions energy: -84.491 where: short stacking energy: -69.062 Base-Backbone interact. energy: -0.772 local terms energy: -169.328393 where: bonds (distance) C4'-P energy: -53.337 bonds (distance) P-C4' energy: -60.521 flat angles C4'-P-C4' energy: -37.726 flat angles P-C4'-P energy: -26.756 tors. eta vs tors. theta energy: 9.011 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: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1043.023853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.023853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.023853 (E_RNA) where: Base-Base interactions energy: -714.803 where: short stacking energy: -294.062 Base-Backbone interact. energy: -2.522 local terms energy: -325.698645 where: bonds (distance) C4'-P energy: -60.302 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -75.002 flat angles P-C4'-P energy: -47.248 tors. eta vs tors. theta energy: -83.069 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: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -998.304749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.304749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.304749 (E_RNA) where: Base-Base interactions energy: -682.500 where: short stacking energy: -273.708 Base-Backbone interact. energy: -2.807 local terms energy: -312.997797 where: bonds (distance) C4'-P energy: -64.775 bonds (distance) P-C4' energy: -59.761 flat angles C4'-P-C4' energy: -63.915 flat angles P-C4'-P energy: -39.566 tors. eta vs tors. theta energy: -84.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -942.916836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.916836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.916836 (E_RNA) where: Base-Base interactions energy: -637.084 where: short stacking energy: -267.883 Base-Backbone interact. energy: 0.150 local terms energy: -305.982746 where: bonds (distance) C4'-P energy: -45.012 bonds (distance) P-C4' energy: -58.819 flat angles C4'-P-C4' energy: -64.455 flat angles P-C4'-P energy: -51.463 tors. eta vs tors. theta energy: -86.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -904.286893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.286893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.286893 (E_RNA) where: Base-Base interactions energy: -616.535 where: short stacking energy: -246.896 Base-Backbone interact. energy: 0.681 local terms energy: -288.433012 where: bonds (distance) C4'-P energy: -60.186 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -59.081 flat angles P-C4'-P energy: -34.223 tors. eta vs tors. theta energy: -72.013 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: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -822.158890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.158890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.158890 (E_RNA) where: Base-Base interactions energy: -537.080 where: short stacking energy: -232.355 Base-Backbone interact. energy: -0.308 local terms energy: -284.770785 where: bonds (distance) C4'-P energy: -46.900 bonds (distance) P-C4' energy: -57.343 flat angles C4'-P-C4' energy: -65.145 flat angles P-C4'-P energy: -43.010 tors. eta vs tors. theta energy: -72.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -635.284147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.284147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.284147 (E_RNA) where: Base-Base interactions energy: -376.353 where: short stacking energy: -160.098 Base-Backbone interact. energy: -0.196 local terms energy: -258.735758 where: bonds (distance) C4'-P energy: -53.650 bonds (distance) P-C4' energy: -66.257 flat angles C4'-P-C4' energy: -73.143 flat angles P-C4'-P energy: -21.913 tors. eta vs tors. theta energy: -43.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -554.391369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.391369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.391369 (E_RNA) where: Base-Base interactions energy: -327.319 where: short stacking energy: -160.113 Base-Backbone interact. energy: -2.312 local terms energy: -224.760583 where: bonds (distance) C4'-P energy: -47.993 bonds (distance) P-C4' energy: -53.058 flat angles C4'-P-C4' energy: -53.315 flat angles P-C4'-P energy: -40.576 tors. eta vs tors. theta energy: -29.819 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: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -492.236096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.236096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.236096 (E_RNA) where: Base-Base interactions energy: -258.535 where: short stacking energy: -141.476 Base-Backbone interact. energy: -1.595 local terms energy: -232.105572 where: bonds (distance) C4'-P energy: -55.684 bonds (distance) P-C4' energy: -67.007 flat angles C4'-P-C4' energy: -55.099 flat angles P-C4'-P energy: -28.629 tors. eta vs tors. theta energy: -25.687 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: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -368.411813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.411813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.411813 (E_RNA) where: Base-Base interactions energy: -190.923 where: short stacking energy: -109.236 Base-Backbone interact. energy: 2.533 local terms energy: -180.021853 where: bonds (distance) C4'-P energy: -40.782 bonds (distance) P-C4' energy: -51.848 flat angles C4'-P-C4' energy: -49.541 flat angles P-C4'-P energy: -21.303 tors. eta vs tors. theta energy: -16.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -248.091066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.091066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.091066 (E_RNA) where: Base-Base interactions energy: -82.830 where: short stacking energy: -69.984 Base-Backbone interact. energy: 0.925 local terms energy: -166.185905 where: bonds (distance) C4'-P energy: -52.259 bonds (distance) P-C4' energy: -51.690 flat angles C4'-P-C4' energy: -43.779 flat angles P-C4'-P energy: -22.632 tors. eta vs tors. theta energy: 4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1052.420405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.420405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.420405 (E_RNA) where: Base-Base interactions energy: -717.976 where: short stacking energy: -292.922 Base-Backbone interact. energy: -2.203 local terms energy: -332.241365 where: bonds (distance) C4'-P energy: -56.984 bonds (distance) P-C4' energy: -58.157 flat angles C4'-P-C4' energy: -76.121 flat angles P-C4'-P energy: -51.331 tors. eta vs tors. theta energy: -89.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1003.648711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.648711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.648711 (E_RNA) where: Base-Base interactions energy: -685.959 where: short stacking energy: -276.903 Base-Backbone interact. energy: -1.327 local terms energy: -316.362572 where: bonds (distance) C4'-P energy: -57.620 bonds (distance) P-C4' energy: -62.643 flat angles C4'-P-C4' energy: -65.939 flat angles P-C4'-P energy: -48.206 tors. eta vs tors. theta energy: -81.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -943.070454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.070454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.070454 (E_RNA) where: Base-Base interactions energy: -614.573 where: short stacking energy: -274.781 Base-Backbone interact. energy: -0.177 local terms energy: -328.321075 where: bonds (distance) C4'-P energy: -61.061 bonds (distance) P-C4' energy: -65.198 flat angles C4'-P-C4' energy: -69.471 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: -87.323 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: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -916.606855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.606855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.606855 (E_RNA) where: Base-Base interactions energy: -608.295 where: short stacking energy: -262.419 Base-Backbone interact. energy: -1.571 local terms energy: -306.740694 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -60.540 flat angles C4'-P-C4' energy: -65.497 flat angles P-C4'-P energy: -44.478 tors. eta vs tors. theta energy: -75.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -844.043067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.043067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.043067 (E_RNA) where: Base-Base interactions energy: -553.678 where: short stacking energy: -248.800 Base-Backbone interact. energy: -0.432 local terms energy: -289.932957 where: bonds (distance) C4'-P energy: -50.452 bonds (distance) P-C4' energy: -63.576 flat angles C4'-P-C4' energy: -60.545 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: -70.468 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: 84 Temperature: 1.150000 Total energy: -626.419285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.419285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.419285 (E_RNA) where: Base-Base interactions energy: -372.794 where: short stacking energy: -172.118 Base-Backbone interact. energy: 2.352 local terms energy: -255.977836 where: bonds (distance) C4'-P energy: -63.197 bonds (distance) P-C4' energy: -59.324 flat angles C4'-P-C4' energy: -59.829 flat angles P-C4'-P energy: -34.557 tors. eta vs tors. theta energy: -39.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -608.860719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.860719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.860719 (E_RNA) where: Base-Base interactions energy: -362.059 where: short stacking energy: -169.988 Base-Backbone interact. energy: 0.654 local terms energy: -247.456401 where: bonds (distance) C4'-P energy: -56.565 bonds (distance) P-C4' energy: -59.277 flat angles C4'-P-C4' energy: -46.933 flat angles P-C4'-P energy: -41.408 tors. eta vs tors. theta energy: -43.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -476.348486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.348486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.348486 (E_RNA) where: Base-Base interactions energy: -259.847 where: short stacking energy: -128.795 Base-Backbone interact. energy: -0.093 local terms energy: -216.408666 where: bonds (distance) C4'-P energy: -55.459 bonds (distance) P-C4' energy: -50.970 flat angles C4'-P-C4' energy: -58.565 flat angles P-C4'-P energy: -28.855 tors. eta vs tors. theta energy: -22.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -368.039885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.039885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.039885 (E_RNA) where: Base-Base interactions energy: -172.851 where: short stacking energy: -93.422 Base-Backbone interact. energy: 0.401 local terms energy: -195.589865 where: bonds (distance) C4'-P energy: -57.117 bonds (distance) P-C4' energy: -61.886 flat angles C4'-P-C4' energy: -50.295 flat angles P-C4'-P energy: -30.289 tors. eta vs tors. theta energy: 3.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -273.286936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.286936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.286936 (E_RNA) where: Base-Base interactions energy: -99.953 where: short stacking energy: -78.620 Base-Backbone interact. energy: 5.159 local terms energy: -178.493036 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -55.074 flat angles C4'-P-C4' energy: -46.572 flat angles P-C4'-P energy: -27.481 tors. eta vs tors. theta energy: 7.102 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: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1032.250348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.250348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.250348 (E_RNA) where: Base-Base interactions energy: -704.182 where: short stacking energy: -295.829 Base-Backbone interact. energy: -2.025 local terms energy: -326.043355 where: bonds (distance) C4'-P energy: -53.663 bonds (distance) P-C4' energy: -64.432 flat angles C4'-P-C4' energy: -66.814 flat angles P-C4'-P energy: -45.667 tors. eta vs tors. theta energy: -95.467 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: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -991.514962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.514962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.514962 (E_RNA) where: Base-Base interactions energy: -662.619 where: short stacking energy: -273.093 Base-Backbone interact. energy: -1.997 local terms energy: -326.898623 where: bonds (distance) C4'-P energy: -54.317 bonds (distance) P-C4' energy: -69.677 flat angles C4'-P-C4' energy: -72.320 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -85.329 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: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -932.636868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.636868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.636868 (E_RNA) where: Base-Base interactions energy: -609.675 where: short stacking energy: -286.438 Base-Backbone interact. energy: 1.171 local terms energy: -324.132176 where: bonds (distance) C4'-P energy: -59.845 bonds (distance) P-C4' energy: -57.666 flat angles C4'-P-C4' energy: -72.712 flat angles P-C4'-P energy: -46.826 tors. eta vs tors. theta energy: -87.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -876.815797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.815797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.815797 (E_RNA) where: Base-Base interactions energy: -573.849 where: short stacking energy: -271.883 Base-Backbone interact. energy: -0.684 local terms energy: -302.283068 where: bonds (distance) C4'-P energy: -60.942 bonds (distance) P-C4' energy: -62.054 flat angles C4'-P-C4' energy: -51.266 flat angles P-C4'-P energy: -45.845 tors. eta vs tors. theta energy: -82.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -832.755079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.755079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.755079 (E_RNA) where: Base-Base interactions energy: -556.678 where: short stacking energy: -253.064 Base-Backbone interact. energy: 0.552 local terms energy: -276.628725 where: bonds (distance) C4'-P energy: -50.208 bonds (distance) P-C4' energy: -59.633 flat angles C4'-P-C4' energy: -59.623 flat angles P-C4'-P energy: -25.780 tors. eta vs tors. theta energy: -81.385 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: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -599.503430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.503430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.503430 (E_RNA) where: Base-Base interactions energy: -362.334 where: short stacking energy: -153.105 Base-Backbone interact. energy: -1.661 local terms energy: -235.508468 where: bonds (distance) C4'-P energy: -65.104 bonds (distance) P-C4' energy: -65.397 flat angles C4'-P-C4' energy: -39.787 flat angles P-C4'-P energy: -27.943 tors. eta vs tors. theta energy: -37.277 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: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -566.660292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.660292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.660292 (E_RNA) where: Base-Base interactions energy: -334.937 where: short stacking energy: -156.171 Base-Backbone interact. energy: -1.511 local terms energy: -230.212988 where: bonds (distance) C4'-P energy: -53.715 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -54.427 flat angles P-C4'-P energy: -41.275 tors. eta vs tors. theta energy: -20.928 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: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -468.002079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.002079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.002079 (E_RNA) where: Base-Base interactions energy: -256.223 where: short stacking energy: -130.307 Base-Backbone interact. energy: -0.638 local terms energy: -211.141065 where: bonds (distance) C4'-P energy: -33.510 bonds (distance) P-C4' energy: -63.822 flat angles C4'-P-C4' energy: -55.067 flat angles P-C4'-P energy: -36.928 tors. eta vs tors. theta energy: -21.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -368.298728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.298728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.298728 (E_RNA) where: Base-Base interactions energy: -181.587 where: short stacking energy: -105.367 Base-Backbone interact. energy: -0.649 local terms energy: -186.062555 where: bonds (distance) C4'-P energy: -50.773 bonds (distance) P-C4' energy: -67.773 flat angles C4'-P-C4' energy: -40.970 flat angles P-C4'-P energy: -24.143 tors. eta vs tors. theta energy: -2.403 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: 3 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -261.165598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.165598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.165598 (E_RNA) where: Base-Base interactions energy: -92.211 where: short stacking energy: -75.814 Base-Backbone interact. energy: -1.335 local terms energy: -167.619768 where: bonds (distance) C4'-P energy: -46.138 bonds (distance) P-C4' energy: -55.332 flat angles C4'-P-C4' energy: -50.025 flat angles P-C4'-P energy: -21.237 tors. eta vs tors. theta energy: 5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1014.815680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.815680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.815680 (E_RNA) where: Base-Base interactions energy: -685.428 where: short stacking energy: -295.201 Base-Backbone interact. energy: -2.620 local terms energy: -326.767603 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -61.919 flat angles C4'-P-C4' energy: -71.920 flat angles P-C4'-P energy: -52.396 tors. eta vs tors. theta energy: -84.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1005.820353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.820353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.820353 (E_RNA) where: Base-Base interactions energy: -662.165 where: short stacking energy: -290.477 Base-Backbone interact. energy: -0.748 local terms energy: -342.907346 where: bonds (distance) C4'-P energy: -63.167 bonds (distance) P-C4' energy: -64.345 flat angles C4'-P-C4' energy: -69.986 flat angles P-C4'-P energy: -53.586 tors. eta vs tors. theta energy: -91.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -917.739621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.739621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.739621 (E_RNA) where: Base-Base interactions energy: -609.526 where: short stacking energy: -264.460 Base-Backbone interact. energy: -1.957 local terms energy: -306.255870 where: bonds (distance) C4'-P energy: -56.522 bonds (distance) P-C4' energy: -57.541 flat angles C4'-P-C4' energy: -71.323 flat angles P-C4'-P energy: -35.673 tors. eta vs tors. theta energy: -85.197 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: 86 Temperature: 1.050000 Total energy: -886.431828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.431828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.431828 (E_RNA) where: Base-Base interactions energy: -597.219 where: short stacking energy: -243.880 Base-Backbone interact. energy: -1.204 local terms energy: -288.008247 where: bonds (distance) C4'-P energy: -56.223 bonds (distance) P-C4' energy: -53.838 flat angles C4'-P-C4' energy: -55.936 flat angles P-C4'-P energy: -47.970 tors. eta vs tors. theta energy: -74.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -835.724926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.724926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.724926 (E_RNA) where: Base-Base interactions energy: -535.480 where: short stacking energy: -234.975 Base-Backbone interact. energy: -1.160 local terms energy: -299.084938 where: bonds (distance) C4'-P energy: -54.957 bonds (distance) P-C4' energy: -69.650 flat angles C4'-P-C4' energy: -61.302 flat angles P-C4'-P energy: -46.990 tors. eta vs tors. theta energy: -66.186 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: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -614.918466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.918466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.918466 (E_RNA) where: Base-Base interactions energy: -374.687 where: short stacking energy: -171.177 Base-Backbone interact. energy: -1.620 local terms energy: -238.611644 where: bonds (distance) C4'-P energy: -45.221 bonds (distance) P-C4' energy: -51.871 flat angles C4'-P-C4' energy: -49.359 flat angles P-C4'-P energy: -46.977 tors. eta vs tors. theta energy: -45.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -614.908534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.908534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.908534 (E_RNA) where: Base-Base interactions energy: -365.397 where: short stacking energy: -173.523 Base-Backbone interact. energy: -0.888 local terms energy: -248.623509 where: bonds (distance) C4'-P energy: -46.917 bonds (distance) P-C4' energy: -65.349 flat angles C4'-P-C4' energy: -57.932 flat angles P-C4'-P energy: -32.512 tors. eta vs tors. theta energy: -45.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -481.256244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.256244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.256244 (E_RNA) where: Base-Base interactions energy: -262.978 where: short stacking energy: -140.605 Base-Backbone interact. energy: -1.669 local terms energy: -216.609103 where: bonds (distance) C4'-P energy: -54.383 bonds (distance) P-C4' energy: -50.384 flat angles C4'-P-C4' energy: -49.123 flat angles P-C4'-P energy: -39.544 tors. eta vs tors. theta energy: -23.175 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: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -352.571908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.571908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.571908 (E_RNA) where: Base-Base interactions energy: -164.172 where: short stacking energy: -93.498 Base-Backbone interact. energy: -1.111 local terms energy: -187.288449 where: bonds (distance) C4'-P energy: -53.717 bonds (distance) P-C4' energy: -53.316 flat angles C4'-P-C4' energy: -61.858 flat angles P-C4'-P energy: -15.482 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -268.377995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.377995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.377995 (E_RNA) where: Base-Base interactions energy: -100.064 where: short stacking energy: -84.955 Base-Backbone interact. energy: -0.881 local terms energy: -167.433124 where: bonds (distance) C4'-P energy: -48.967 bonds (distance) P-C4' energy: -53.788 flat angles C4'-P-C4' energy: -50.072 flat angles P-C4'-P energy: -21.766 tors. eta vs tors. theta energy: 7.160 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: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1006.699115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.699115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.699115 (E_RNA) where: Base-Base interactions energy: -685.220 where: short stacking energy: -271.874 Base-Backbone interact. energy: -3.117 local terms energy: -318.362543 where: bonds (distance) C4'-P energy: -67.813 bonds (distance) P-C4' energy: -60.177 flat angles C4'-P-C4' energy: -64.744 flat angles P-C4'-P energy: -48.586 tors. eta vs tors. theta energy: -77.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -973.334715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.334715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.334715 (E_RNA) where: Base-Base interactions energy: -653.624 where: short stacking energy: -277.807 Base-Backbone interact. energy: -1.452 local terms energy: -318.258683 where: bonds (distance) C4'-P energy: -64.200 bonds (distance) P-C4' energy: -58.121 flat angles C4'-P-C4' energy: -65.187 flat angles P-C4'-P energy: -44.226 tors. eta vs tors. theta energy: -86.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -945.260112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.260112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.260112 (E_RNA) where: Base-Base interactions energy: -633.152 where: short stacking energy: -258.753 Base-Backbone interact. energy: -2.096 local terms energy: -310.012022 where: bonds (distance) C4'-P energy: -58.150 bonds (distance) P-C4' energy: -64.034 flat angles C4'-P-C4' energy: -64.132 flat angles P-C4'-P energy: -46.625 tors. eta vs tors. theta energy: -77.072 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: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -871.419773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.419773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.419773 (E_RNA) where: Base-Base interactions energy: -585.499 where: short stacking energy: -244.180 Base-Backbone interact. energy: -0.125 local terms energy: -285.795599 where: bonds (distance) C4'-P energy: -50.432 bonds (distance) P-C4' energy: -56.462 flat angles C4'-P-C4' energy: -63.614 flat angles P-C4'-P energy: -45.055 tors. eta vs tors. theta energy: -70.232 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: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -817.015048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.015048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.015048 (E_RNA) where: Base-Base interactions energy: -521.611 where: short stacking energy: -231.311 Base-Backbone interact. energy: -0.626 local terms energy: -294.778182 where: bonds (distance) C4'-P energy: -56.474 bonds (distance) P-C4' energy: -60.838 flat angles C4'-P-C4' energy: -62.988 flat angles P-C4'-P energy: -45.816 tors. eta vs tors. theta energy: -68.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -632.990873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.990873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.990873 (E_RNA) where: Base-Base interactions energy: -385.023 where: short stacking energy: -187.651 Base-Backbone interact. energy: -1.214 local terms energy: -246.753882 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -60.703 flat angles C4'-P-C4' energy: -50.006 flat angles P-C4'-P energy: -38.126 tors. eta vs tors. theta energy: -38.196 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: 87 Temperature: 1.200000 Total energy: -582.037399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.037399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.037399 (E_RNA) where: Base-Base interactions energy: -341.945 where: short stacking energy: -167.439 Base-Backbone interact. energy: 0.775 local terms energy: -240.867532 where: bonds (distance) C4'-P energy: -58.327 bonds (distance) P-C4' energy: -59.757 flat angles C4'-P-C4' energy: -55.745 flat angles P-C4'-P energy: -38.563 tors. eta vs tors. theta energy: -28.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -481.800481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.800481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.800481 (E_RNA) where: Base-Base interactions energy: -265.143 where: short stacking energy: -134.596 Base-Backbone interact. energy: -3.008 local terms energy: -213.649994 where: bonds (distance) C4'-P energy: -46.546 bonds (distance) P-C4' energy: -55.541 flat angles C4'-P-C4' energy: -56.196 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: -16.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -349.904152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.904152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.904152 (E_RNA) where: Base-Base interactions energy: -159.642 where: short stacking energy: -101.996 Base-Backbone interact. energy: 4.001 local terms energy: -194.263136 where: bonds (distance) C4'-P energy: -57.315 bonds (distance) P-C4' energy: -56.361 flat angles C4'-P-C4' energy: -48.422 flat angles P-C4'-P energy: -28.119 tors. eta vs tors. theta energy: -4.047 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: 3 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -246.527556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.527556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.527556 (E_RNA) where: Base-Base interactions energy: -109.340 where: short stacking energy: -81.482 Base-Backbone interact. energy: 5.981 local terms energy: -143.168874 where: bonds (distance) C4'-P energy: -44.260 bonds (distance) P-C4' energy: -51.297 flat angles C4'-P-C4' energy: -43.387 flat angles P-C4'-P energy: -22.971 tors. eta vs tors. theta energy: 18.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1017.209653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.209653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.209653 (E_RNA) where: Base-Base interactions energy: -677.312 where: short stacking energy: -284.187 Base-Backbone interact. energy: -1.791 local terms energy: -338.107315 where: bonds (distance) C4'-P energy: -62.837 bonds (distance) P-C4' energy: -72.159 flat angles C4'-P-C4' energy: -69.969 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -83.031 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: 88 Temperature: 0.950000 Total energy: -989.344866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.344866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.344866 (E_RNA) where: Base-Base interactions energy: -666.938 where: short stacking energy: -279.880 Base-Backbone interact. energy: -1.658 local terms energy: -320.748530 where: bonds (distance) C4'-P energy: -55.884 bonds (distance) P-C4' energy: -61.977 flat angles C4'-P-C4' energy: -70.407 flat angles P-C4'-P energy: -49.420 tors. eta vs tors. theta energy: -83.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -949.746987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.746987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.746987 (E_RNA) where: Base-Base interactions energy: -626.268 where: short stacking energy: -280.900 Base-Backbone interact. energy: -0.573 local terms energy: -322.906257 where: bonds (distance) C4'-P energy: -63.946 bonds (distance) P-C4' energy: -61.392 flat angles C4'-P-C4' energy: -65.072 flat angles P-C4'-P energy: -46.117 tors. eta vs tors. theta energy: -86.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -899.215480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.215480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.215480 (E_RNA) where: Base-Base interactions energy: -613.479 where: short stacking energy: -272.738 Base-Backbone interact. energy: -2.493 local terms energy: -283.243548 where: bonds (distance) C4'-P energy: -57.395 bonds (distance) P-C4' energy: -56.452 flat angles C4'-P-C4' energy: -65.786 flat angles P-C4'-P energy: -31.820 tors. eta vs tors. theta energy: -71.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -838.052907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.052907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.052907 (E_RNA) where: Base-Base interactions energy: -560.172 where: short stacking energy: -233.437 Base-Backbone interact. energy: 0.939 local terms energy: -278.819354 where: bonds (distance) C4'-P energy: -59.011 bonds (distance) P-C4' energy: -63.054 flat angles C4'-P-C4' energy: -63.716 flat angles P-C4'-P energy: -31.121 tors. eta vs tors. theta energy: -61.917 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: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -669.885152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.885152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.885152 (E_RNA) where: Base-Base interactions energy: -401.463 where: short stacking energy: -197.013 Base-Backbone interact. energy: 0.297 local terms energy: -268.719635 where: bonds (distance) C4'-P energy: -45.887 bonds (distance) P-C4' energy: -66.222 flat angles C4'-P-C4' energy: -54.067 flat angles P-C4'-P energy: -48.411 tors. eta vs tors. theta energy: -54.133 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: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -599.453106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.453106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.453106 (E_RNA) where: Base-Base interactions energy: -356.200 where: short stacking energy: -162.039 Base-Backbone interact. energy: -1.154 local terms energy: -242.099137 where: bonds (distance) C4'-P energy: -65.761 bonds (distance) P-C4' energy: -45.426 flat angles C4'-P-C4' energy: -60.700 flat angles P-C4'-P energy: -39.513 tors. eta vs tors. theta energy: -30.699 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: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -501.264728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.264728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.264728 (E_RNA) where: Base-Base interactions energy: -288.581 where: short stacking energy: -152.775 Base-Backbone interact. energy: 3.337 local terms energy: -216.020521 where: bonds (distance) C4'-P energy: -54.838 bonds (distance) P-C4' energy: -44.115 flat angles C4'-P-C4' energy: -65.902 flat angles P-C4'-P energy: -27.613 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: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -341.714215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.714215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.714215 (E_RNA) where: Base-Base interactions energy: -161.069 where: short stacking energy: -100.145 Base-Backbone interact. energy: 2.605 local terms energy: -183.249985 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -45.730 flat angles C4'-P-C4' energy: -51.832 flat angles P-C4'-P energy: -24.854 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -318.936981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.936981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.936981 (E_RNA) where: Base-Base interactions energy: -152.674 where: short stacking energy: -102.608 Base-Backbone interact. energy: 2.504 local terms energy: -168.767736 where: bonds (distance) C4'-P energy: -43.950 bonds (distance) P-C4' energy: -54.098 flat angles C4'-P-C4' energy: -48.309 flat angles P-C4'-P energy: -22.856 tors. eta vs tors. theta energy: 0.446 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: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1004.440950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.440950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.440950 (E_RNA) where: Base-Base interactions energy: -688.536 where: short stacking energy: -278.611 Base-Backbone interact. energy: 0.413 local terms energy: -316.317928 where: bonds (distance) C4'-P energy: -59.702 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -66.893 flat angles P-C4'-P energy: -43.202 tors. eta vs tors. theta energy: -87.441 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: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -978.229374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.229374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.229374 (E_RNA) where: Base-Base interactions energy: -634.955 where: short stacking energy: -275.957 Base-Backbone interact. energy: -2.009 local terms energy: -341.265900 where: bonds (distance) C4'-P energy: -68.439 bonds (distance) P-C4' energy: -72.497 flat angles C4'-P-C4' energy: -64.523 flat angles P-C4'-P energy: -48.069 tors. eta vs tors. theta energy: -87.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -924.454995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.454995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.454995 (E_RNA) where: Base-Base interactions energy: -619.143 where: short stacking energy: -285.482 Base-Backbone interact. energy: 2.228 local terms energy: -307.540380 where: bonds (distance) C4'-P energy: -68.303 bonds (distance) P-C4' energy: -46.206 flat angles C4'-P-C4' energy: -58.175 flat angles P-C4'-P energy: -46.244 tors. eta vs tors. theta energy: -88.611 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: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -904.856339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.856339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.856339 (E_RNA) where: Base-Base interactions energy: -605.399 where: short stacking energy: -274.954 Base-Backbone interact. energy: 0.776 local terms energy: -300.233528 where: bonds (distance) C4'-P energy: -48.025 bonds (distance) P-C4' energy: -57.657 flat angles C4'-P-C4' energy: -69.654 flat angles P-C4'-P energy: -45.403 tors. eta vs tors. theta energy: -79.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -899.479274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.479274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.479274 (E_RNA) where: Base-Base interactions energy: -605.693 where: short stacking energy: -271.602 Base-Backbone interact. energy: -1.467 local terms energy: -292.319229 where: bonds (distance) C4'-P energy: -59.042 bonds (distance) P-C4' energy: -59.605 flat angles C4'-P-C4' energy: -61.628 flat angles P-C4'-P energy: -39.788 tors. eta vs tors. theta energy: -72.257 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: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -671.518343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.518343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.518343 (E_RNA) where: Base-Base interactions energy: -419.975 where: short stacking energy: -185.282 Base-Backbone interact. energy: -3.686 local terms energy: -247.857446 where: bonds (distance) C4'-P energy: -48.471 bonds (distance) P-C4' energy: -52.623 flat angles C4'-P-C4' energy: -61.188 flat angles P-C4'-P energy: -30.376 tors. eta vs tors. theta energy: -55.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -566.897334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.897334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.897334 (E_RNA) where: Base-Base interactions energy: -330.192 where: short stacking energy: -162.852 Base-Backbone interact. energy: -0.884 local terms energy: -235.821280 where: bonds (distance) C4'-P energy: -54.691 bonds (distance) P-C4' energy: -57.322 flat angles C4'-P-C4' energy: -58.832 flat angles P-C4'-P energy: -32.500 tors. eta vs tors. theta energy: -32.476 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: 4 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -479.325280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.325280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.325280 (E_RNA) where: Base-Base interactions energy: -270.869 where: short stacking energy: -138.827 Base-Backbone interact. energy: 0.777 local terms energy: -209.233219 where: bonds (distance) C4'-P energy: -52.418 bonds (distance) P-C4' energy: -48.098 flat angles C4'-P-C4' energy: -53.182 flat angles P-C4'-P energy: -28.891 tors. eta vs tors. theta energy: -26.645 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: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -347.523149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.523149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.523149 (E_RNA) where: Base-Base interactions energy: -164.318 where: short stacking energy: -82.982 Base-Backbone interact. energy: 0.178 local terms energy: -183.383612 where: bonds (distance) C4'-P energy: -50.627 bonds (distance) P-C4' energy: -53.695 flat angles C4'-P-C4' energy: -55.913 flat angles P-C4'-P energy: -30.229 tors. eta vs tors. theta energy: 7.080 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: 3 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -264.462351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.462351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.462351 (E_RNA) where: Base-Base interactions energy: -94.862 where: short stacking energy: -65.619 Base-Backbone interact. energy: -0.189 local terms energy: -169.411607 where: bonds (distance) C4'-P energy: -47.363 bonds (distance) P-C4' energy: -53.233 flat angles C4'-P-C4' energy: -60.010 flat angles P-C4'-P energy: -18.226 tors. eta vs tors. theta energy: 9.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1023.428050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.428050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.428050 (E_RNA) where: Base-Base interactions energy: -681.874 where: short stacking energy: -290.602 Base-Backbone interact. energy: -1.963 local terms energy: -339.591556 where: bonds (distance) C4'-P energy: -67.056 bonds (distance) P-C4' energy: -65.897 flat angles C4'-P-C4' energy: -63.775 flat angles P-C4'-P energy: -55.923 tors. eta vs tors. theta energy: -86.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -988.449688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.449688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.449688 (E_RNA) where: Base-Base interactions energy: -666.619 where: short stacking energy: -284.316 Base-Backbone interact. energy: -1.978 local terms energy: -319.851844 where: bonds (distance) C4'-P energy: -62.707 bonds (distance) P-C4' energy: -63.476 flat angles C4'-P-C4' energy: -73.222 flat angles P-C4'-P energy: -39.893 tors. eta vs tors. theta energy: -80.554 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: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -949.871984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.871984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.871984 (E_RNA) where: Base-Base interactions energy: -630.541 where: short stacking energy: -267.284 Base-Backbone interact. energy: 0.395 local terms energy: -319.725470 where: bonds (distance) C4'-P energy: -64.365 bonds (distance) P-C4' energy: -61.417 flat angles C4'-P-C4' energy: -66.497 flat angles P-C4'-P energy: -43.696 tors. eta vs tors. theta energy: -83.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -862.664869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.664869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.664869 (E_RNA) where: Base-Base interactions energy: -578.634 where: short stacking energy: -261.952 Base-Backbone interact. energy: -0.873 local terms energy: -283.157349 where: bonds (distance) C4'-P energy: -55.560 bonds (distance) P-C4' energy: -59.698 flat angles C4'-P-C4' energy: -53.992 flat angles P-C4'-P energy: -41.735 tors. eta vs tors. theta energy: -72.171 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: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -857.812315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.812315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.812315 (E_RNA) where: Base-Base interactions energy: -569.247 where: short stacking energy: -225.315 Base-Backbone interact. energy: -1.002 local terms energy: -287.563680 where: bonds (distance) C4'-P energy: -59.732 bonds (distance) P-C4' energy: -50.310 flat angles C4'-P-C4' energy: -63.767 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -65.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -694.648508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.648508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.648508 (E_RNA) where: Base-Base interactions energy: -429.944 where: short stacking energy: -191.874 Base-Backbone interact. energy: -0.794 local terms energy: -263.910109 where: bonds (distance) C4'-P energy: -50.323 bonds (distance) P-C4' energy: -61.037 flat angles C4'-P-C4' energy: -55.655 flat angles P-C4'-P energy: -37.830 tors. eta vs tors. theta energy: -59.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -613.071584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.071584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.071584 (E_RNA) where: Base-Base interactions energy: -372.774 where: short stacking energy: -174.827 Base-Backbone interact. energy: -0.575 local terms energy: -239.722951 where: bonds (distance) C4'-P energy: -51.819 bonds (distance) P-C4' energy: -50.423 flat angles C4'-P-C4' energy: -58.931 flat angles P-C4'-P energy: -36.164 tors. eta vs tors. theta energy: -42.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -473.178573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.178573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.178573 (E_RNA) where: Base-Base interactions energy: -244.293 where: short stacking energy: -114.964 Base-Backbone interact. energy: -1.257 local terms energy: -227.628868 where: bonds (distance) C4'-P energy: -58.712 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -49.891 flat angles P-C4'-P energy: -34.885 tors. eta vs tors. theta energy: -20.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -370.899828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.899828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.899828 (E_RNA) where: Base-Base interactions energy: -177.948 where: short stacking energy: -102.946 Base-Backbone interact. energy: -1.137 local terms energy: -191.815252 where: bonds (distance) C4'-P energy: -54.061 bonds (distance) P-C4' energy: -53.676 flat angles C4'-P-C4' energy: -54.210 flat angles P-C4'-P energy: -22.533 tors. eta vs tors. theta energy: -7.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -266.873118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.873118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.873118 (E_RNA) where: Base-Base interactions energy: -77.574 where: short stacking energy: -59.673 Base-Backbone interact. energy: -1.407 local terms energy: -187.891909 where: bonds (distance) C4'-P energy: -60.580 bonds (distance) P-C4' energy: -53.145 flat angles C4'-P-C4' energy: -51.713 flat angles P-C4'-P energy: -33.951 tors. eta vs tors. theta energy: 11.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1026.787059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.787059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.787059 (E_RNA) where: Base-Base interactions energy: -680.248 where: short stacking energy: -308.087 Base-Backbone interact. energy: -0.217 local terms energy: -346.322477 where: bonds (distance) C4'-P energy: -70.133 bonds (distance) P-C4' energy: -65.324 flat angles C4'-P-C4' energy: -73.594 flat angles P-C4'-P energy: -46.607 tors. eta vs tors. theta energy: -90.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1003.927096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.927096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.927096 (E_RNA) where: Base-Base interactions energy: -667.355 where: short stacking energy: -282.291 Base-Backbone interact. energy: -3.145 local terms energy: -333.426933 where: bonds (distance) C4'-P energy: -52.836 bonds (distance) P-C4' energy: -66.251 flat angles C4'-P-C4' energy: -75.490 flat angles P-C4'-P energy: -50.705 tors. eta vs tors. theta energy: -88.145 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: 3, replica: 1 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -927.520575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.520575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.520575 (E_RNA) where: Base-Base interactions energy: -631.433 where: short stacking energy: -276.324 Base-Backbone interact. energy: -0.308 local terms energy: -295.779383 where: bonds (distance) C4'-P energy: -57.079 bonds (distance) P-C4' energy: -55.368 flat angles C4'-P-C4' energy: -68.822 flat angles P-C4'-P energy: -36.005 tors. eta vs tors. theta energy: -78.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -904.347166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.347166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.347166 (E_RNA) where: Base-Base interactions energy: -619.490 where: short stacking energy: -266.099 Base-Backbone interact. energy: -1.506 local terms energy: -283.351066 where: bonds (distance) C4'-P energy: -51.908 bonds (distance) P-C4' energy: -50.535 flat angles C4'-P-C4' energy: -57.537 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -81.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -815.976005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.976005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.976005 (E_RNA) where: Base-Base interactions energy: -535.185 where: short stacking energy: -250.390 Base-Backbone interact. energy: -1.556 local terms energy: -279.235336 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -54.472 flat angles C4'-P-C4' energy: -58.388 flat angles P-C4'-P energy: -39.903 tors. eta vs tors. theta energy: -69.982 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: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -732.351790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.351790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.351790 (E_RNA) where: Base-Base interactions energy: -461.969 where: short stacking energy: -213.040 Base-Backbone interact. energy: -0.506 local terms energy: -269.877430 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -52.445 flat angles C4'-P-C4' energy: -56.398 flat angles P-C4'-P energy: -30.667 tors. eta vs tors. theta energy: -69.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -622.056492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.056492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.056492 (E_RNA) where: Base-Base interactions energy: -400.654 where: short stacking energy: -172.743 Base-Backbone interact. energy: -1.357 local terms energy: -220.045618 where: bonds (distance) C4'-P energy: -49.284 bonds (distance) P-C4' energy: -46.046 flat angles C4'-P-C4' energy: -54.789 flat angles P-C4'-P energy: -31.925 tors. eta vs tors. theta energy: -38.002 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: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -472.885450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.885450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.885450 (E_RNA) where: Base-Base interactions energy: -268.465 where: short stacking energy: -145.949 Base-Backbone interact. energy: -1.226 local terms energy: -203.194439 where: bonds (distance) C4'-P energy: -56.108 bonds (distance) P-C4' energy: -56.657 flat angles C4'-P-C4' energy: -51.842 flat angles P-C4'-P energy: -24.998 tors. eta vs tors. theta energy: -13.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -335.016949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.016949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.016949 (E_RNA) where: Base-Base interactions energy: -127.614 where: short stacking energy: -82.110 Base-Backbone interact. energy: -1.288 local terms energy: -206.115186 where: bonds (distance) C4'-P energy: -55.803 bonds (distance) P-C4' energy: -68.624 flat angles C4'-P-C4' energy: -51.121 flat angles P-C4'-P energy: -27.140 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -252.556640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.556640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.556640 (E_RNA) where: Base-Base interactions energy: -78.870 where: short stacking energy: -49.117 Base-Backbone interact. energy: -0.944 local terms energy: -172.742580 where: bonds (distance) C4'-P energy: -56.825 bonds (distance) P-C4' energy: -55.692 flat angles C4'-P-C4' energy: -43.527 flat angles P-C4'-P energy: -36.028 tors. eta vs tors. theta energy: 19.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1012.073269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.073269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.073269 (E_RNA) where: Base-Base interactions energy: -692.127 where: short stacking energy: -285.619 Base-Backbone interact. energy: -0.117 local terms energy: -319.829466 where: bonds (distance) C4'-P energy: -58.060 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -69.425 flat angles P-C4'-P energy: -39.417 tors. eta vs tors. theta energy: -89.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -978.915733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.915733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.915733 (E_RNA) where: Base-Base interactions energy: -646.206 where: short stacking energy: -281.897 Base-Backbone interact. energy: -4.644 local terms energy: -328.065709 where: bonds (distance) C4'-P energy: -62.425 bonds (distance) P-C4' energy: -62.804 flat angles C4'-P-C4' energy: -67.968 flat angles P-C4'-P energy: -48.015 tors. eta vs tors. theta energy: -86.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -941.686657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.686657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.686657 (E_RNA) where: Base-Base interactions energy: -631.912 where: short stacking energy: -280.504 Base-Backbone interact. energy: -0.341 local terms energy: -309.433593 where: bonds (distance) C4'-P energy: -54.904 bonds (distance) P-C4' energy: -57.002 flat angles C4'-P-C4' energy: -68.731 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -81.303 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: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -893.222981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.222981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.222981 (E_RNA) where: Base-Base interactions energy: -608.675 where: short stacking energy: -251.480 Base-Backbone interact. energy: -2.093 local terms energy: -282.455184 where: bonds (distance) C4'-P energy: -57.817 bonds (distance) P-C4' energy: -53.033 flat angles C4'-P-C4' energy: -61.484 flat angles P-C4'-P energy: -23.841 tors. eta vs tors. theta energy: -86.281 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: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -784.786564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.786564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.786564 (E_RNA) where: Base-Base interactions energy: -521.821 where: short stacking energy: -222.763 Base-Backbone interact. energy: -0.131 local terms energy: -262.833874 where: bonds (distance) C4'-P energy: -53.232 bonds (distance) P-C4' energy: -56.007 flat angles C4'-P-C4' energy: -71.114 flat angles P-C4'-P energy: -30.098 tors. eta vs tors. theta energy: -52.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -712.963684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.963684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.963684 (E_RNA) where: Base-Base interactions energy: -449.066 where: short stacking energy: -204.217 Base-Backbone interact. energy: 0.978 local terms energy: -264.875713 where: bonds (distance) C4'-P energy: -57.421 bonds (distance) P-C4' energy: -61.342 flat angles C4'-P-C4' energy: -53.704 flat angles P-C4'-P energy: -30.100 tors. eta vs tors. theta energy: -62.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -612.315285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.315285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.315285 (E_RNA) where: Base-Base interactions energy: -357.661 where: short stacking energy: -159.794 Base-Backbone interact. energy: -1.220 local terms energy: -253.434893 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -58.145 flat angles C4'-P-C4' energy: -57.257 flat angles P-C4'-P energy: -42.289 tors. eta vs tors. theta energy: -38.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -495.485332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.485332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.485332 (E_RNA) where: Base-Base interactions energy: -259.659 where: short stacking energy: -139.756 Base-Backbone interact. energy: 0.035 local terms energy: -235.861621 where: bonds (distance) C4'-P energy: -53.780 bonds (distance) P-C4' energy: -62.318 flat angles C4'-P-C4' energy: -65.144 flat angles P-C4'-P energy: -32.995 tors. eta vs tors. theta energy: -21.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -361.960133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.960133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.960133 (E_RNA) where: Base-Base interactions energy: -159.165 where: short stacking energy: -96.903 Base-Backbone interact. energy: 0.044 local terms energy: -202.839451 where: bonds (distance) C4'-P energy: -48.246 bonds (distance) P-C4' energy: -64.744 flat angles C4'-P-C4' energy: -57.591 flat angles P-C4'-P energy: -20.959 tors. eta vs tors. theta energy: -11.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -255.198322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.198322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.198322 (E_RNA) where: Base-Base interactions energy: -76.576 where: short stacking energy: -71.760 Base-Backbone interact. energy: -1.011 local terms energy: -177.611940 where: bonds (distance) C4'-P energy: -43.249 bonds (distance) P-C4' energy: -51.968 flat angles C4'-P-C4' energy: -45.119 flat angles P-C4'-P energy: -35.782 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1029.337785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.337785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.337785 (E_RNA) where: Base-Base interactions energy: -690.155 where: short stacking energy: -296.472 Base-Backbone interact. energy: -1.437 local terms energy: -337.746267 where: bonds (distance) C4'-P energy: -73.501 bonds (distance) P-C4' energy: -61.416 flat angles C4'-P-C4' energy: -71.407 flat angles P-C4'-P energy: -46.069 tors. eta vs tors. theta energy: -85.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -995.576446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.576446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.576446 (E_RNA) where: Base-Base interactions energy: -655.391 where: short stacking energy: -254.626 Base-Backbone interact. energy: -1.211 local terms energy: -338.973925 where: bonds (distance) C4'-P energy: -67.571 bonds (distance) P-C4' energy: -67.276 flat angles C4'-P-C4' energy: -73.333 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -79.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -940.053098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.053098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.053098 (E_RNA) where: Base-Base interactions energy: -631.294 where: short stacking energy: -265.089 Base-Backbone interact. energy: -2.392 local terms energy: -306.367266 where: bonds (distance) C4'-P energy: -61.113 bonds (distance) P-C4' energy: -57.896 flat angles C4'-P-C4' energy: -69.455 flat angles P-C4'-P energy: -37.157 tors. eta vs tors. theta energy: -80.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -845.292388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.292388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.292388 (E_RNA) where: Base-Base interactions energy: -551.527 where: short stacking energy: -240.457 Base-Backbone interact. energy: -0.501 local terms energy: -293.264293 where: bonds (distance) C4'-P energy: -60.124 bonds (distance) P-C4' energy: -57.346 flat angles C4'-P-C4' energy: -63.119 flat angles P-C4'-P energy: -46.944 tors. eta vs tors. theta energy: -65.731 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: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -861.501125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.501125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.501125 (E_RNA) where: Base-Base interactions energy: -580.691 where: short stacking energy: -246.092 Base-Backbone interact. energy: 0.165 local terms energy: -280.974814 where: bonds (distance) C4'-P energy: -54.159 bonds (distance) P-C4' energy: -60.680 flat angles C4'-P-C4' energy: -65.353 flat angles P-C4'-P energy: -31.146 tors. eta vs tors. theta energy: -69.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -697.885382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.885382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.885382 (E_RNA) where: Base-Base interactions energy: -441.727 where: short stacking energy: -193.449 Base-Backbone interact. energy: -1.399 local terms energy: -254.759264 where: bonds (distance) C4'-P energy: -49.839 bonds (distance) P-C4' energy: -60.357 flat angles C4'-P-C4' energy: -58.069 flat angles P-C4'-P energy: -41.154 tors. eta vs tors. theta energy: -45.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -634.098342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.098342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.098342 (E_RNA) where: Base-Base interactions energy: -396.819 where: short stacking energy: -169.702 Base-Backbone interact. energy: 0.364 local terms energy: -237.643094 where: bonds (distance) C4'-P energy: -49.032 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -66.756 flat angles P-C4'-P energy: -24.987 tors. eta vs tors. theta energy: -37.510 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: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -486.923540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.923540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.923540 (E_RNA) where: Base-Base interactions energy: -276.496 where: short stacking energy: -146.679 Base-Backbone interact. energy: 1.142 local terms energy: -211.569495 where: bonds (distance) C4'-P energy: -54.286 bonds (distance) P-C4' energy: -45.761 flat angles C4'-P-C4' energy: -57.445 flat angles P-C4'-P energy: -32.669 tors. eta vs tors. theta energy: -21.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -343.444453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.444453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.444453 (E_RNA) where: Base-Base interactions energy: -160.417 where: short stacking energy: -96.024 Base-Backbone interact. energy: 0.158 local terms energy: -183.186103 where: bonds (distance) C4'-P energy: -44.596 bonds (distance) P-C4' energy: -54.676 flat angles C4'-P-C4' energy: -42.399 flat angles P-C4'-P energy: -38.003 tors. eta vs tors. theta energy: -3.513 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: 3 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -295.393983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.393983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.393983 (E_RNA) where: Base-Base interactions energy: -114.326 where: short stacking energy: -99.096 Base-Backbone interact. energy: 3.411 local terms energy: -184.478742 where: bonds (distance) C4'-P energy: -43.924 bonds (distance) P-C4' energy: -58.246 flat angles C4'-P-C4' energy: -41.857 flat angles P-C4'-P energy: -31.518 tors. eta vs tors. theta energy: -8.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1010.083401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.083401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.083401 (E_RNA) where: Base-Base interactions energy: -677.260 where: short stacking energy: -298.861 Base-Backbone interact. energy: -3.185 local terms energy: -329.638087 where: bonds (distance) C4'-P energy: -62.321 bonds (distance) P-C4' energy: -55.221 flat angles C4'-P-C4' energy: -76.230 flat angles P-C4'-P energy: -49.989 tors. eta vs tors. theta energy: -85.878 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: 94 Temperature: 0.950000 Total energy: -975.975281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.975281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.975281 (E_RNA) where: Base-Base interactions energy: -662.599 where: short stacking energy: -278.782 Base-Backbone interact. energy: -1.447 local terms energy: -311.929535 where: bonds (distance) C4'-P energy: -63.041 bonds (distance) P-C4' energy: -62.046 flat angles C4'-P-C4' energy: -72.691 flat angles P-C4'-P energy: -30.913 tors. eta vs tors. theta energy: -83.239 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: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -945.882411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.882411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.882411 (E_RNA) where: Base-Base interactions energy: -646.046 where: short stacking energy: -267.308 Base-Backbone interact. energy: 0.186 local terms energy: -300.022298 where: bonds (distance) C4'-P energy: -57.788 bonds (distance) P-C4' energy: -51.928 flat angles C4'-P-C4' energy: -60.559 flat angles P-C4'-P energy: -49.451 tors. eta vs tors. theta energy: -80.297 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: 10 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -814.588148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.588148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.588148 (E_RNA) where: Base-Base interactions energy: -525.135 where: short stacking energy: -223.546 Base-Backbone interact. energy: -1.783 local terms energy: -287.670556 where: bonds (distance) C4'-P energy: -43.998 bonds (distance) P-C4' energy: -57.783 flat angles C4'-P-C4' energy: -65.596 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -75.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -872.342405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.342405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.342405 (E_RNA) where: Base-Base interactions energy: -560.007 where: short stacking energy: -264.388 Base-Backbone interact. energy: -0.746 local terms energy: -311.589622 where: bonds (distance) C4'-P energy: -64.496 bonds (distance) P-C4' energy: -63.718 flat angles C4'-P-C4' energy: -60.034 flat angles P-C4'-P energy: -36.910 tors. eta vs tors. theta energy: -86.431 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: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -687.827592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.827592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.827592 (E_RNA) where: Base-Base interactions energy: -424.079 where: short stacking energy: -203.769 Base-Backbone interact. energy: 2.838 local terms energy: -266.586653 where: bonds (distance) C4'-P energy: -55.373 bonds (distance) P-C4' energy: -57.104 flat angles C4'-P-C4' energy: -57.919 flat angles P-C4'-P energy: -32.416 tors. eta vs tors. theta energy: -63.774 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: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -627.922584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.922584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.922584 (E_RNA) where: Base-Base interactions energy: -386.181 where: short stacking energy: -190.089 Base-Backbone interact. energy: -0.193 local terms energy: -241.548610 where: bonds (distance) C4'-P energy: -56.189 bonds (distance) P-C4' energy: -56.642 flat angles C4'-P-C4' energy: -64.519 flat angles P-C4'-P energy: -27.351 tors. eta vs tors. theta energy: -36.848 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: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -467.988675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.988675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.988675 (E_RNA) where: Base-Base interactions energy: -242.705 where: short stacking energy: -140.009 Base-Backbone interact. energy: -1.731 local terms energy: -223.553102 where: bonds (distance) C4'-P energy: -65.092 bonds (distance) P-C4' energy: -61.041 flat angles C4'-P-C4' energy: -46.826 flat angles P-C4'-P energy: -32.866 tors. eta vs tors. theta energy: -17.728 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: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -266.671330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.671330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.671330 (E_RNA) where: Base-Base interactions energy: -86.699 where: short stacking energy: -74.760 Base-Backbone interact. energy: -1.146 local terms energy: -178.826455 where: bonds (distance) C4'-P energy: -41.709 bonds (distance) P-C4' energy: -65.887 flat angles C4'-P-C4' energy: -43.799 flat angles P-C4'-P energy: -31.511 tors. eta vs tors. theta energy: 4.080 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: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -314.927260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.927260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.927260 (E_RNA) where: Base-Base interactions energy: -131.811 where: short stacking energy: -79.850 Base-Backbone interact. energy: -0.971 local terms energy: -182.144750 where: bonds (distance) C4'-P energy: -57.924 bonds (distance) P-C4' energy: -53.275 flat angles C4'-P-C4' energy: -47.125 flat angles P-C4'-P energy: -24.033 tors. eta vs tors. theta energy: 0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1007.561548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.561548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.561548 (E_RNA) where: Base-Base interactions energy: -658.356 where: short stacking energy: -303.734 Base-Backbone interact. energy: -1.523 local terms energy: -347.682895 where: bonds (distance) C4'-P energy: -64.154 bonds (distance) P-C4' energy: -64.663 flat angles C4'-P-C4' energy: -74.633 flat angles P-C4'-P energy: -47.874 tors. eta vs tors. theta energy: -96.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1005.074500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.074500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.074500 (E_RNA) where: Base-Base interactions energy: -673.749 where: short stacking energy: -291.844 Base-Backbone interact. energy: -1.594 local terms energy: -329.730891 where: bonds (distance) C4'-P energy: -62.870 bonds (distance) P-C4' energy: -66.169 flat angles C4'-P-C4' energy: -72.455 flat angles P-C4'-P energy: -44.415 tors. eta vs tors. theta energy: -83.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -931.456187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.456187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.456187 (E_RNA) where: Base-Base interactions energy: -617.044 where: short stacking energy: -265.037 Base-Backbone interact. energy: -0.679 local terms energy: -313.733185 where: bonds (distance) C4'-P energy: -60.916 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -63.673 flat angles P-C4'-P energy: -46.636 tors. eta vs tors. theta energy: -77.566 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: 95 Temperature: 1.050000 Total energy: -849.106203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.106203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.106203 (E_RNA) where: Base-Base interactions energy: -553.227 where: short stacking energy: -262.515 Base-Backbone interact. energy: -0.201 local terms energy: -295.677521 where: bonds (distance) C4'-P energy: -57.199 bonds (distance) P-C4' energy: -61.270 flat angles C4'-P-C4' energy: -63.424 flat angles P-C4'-P energy: -34.378 tors. eta vs tors. theta energy: -79.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -808.469090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.469090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.469090 (E_RNA) where: Base-Base interactions energy: -515.021 where: short stacking energy: -230.705 Base-Backbone interact. energy: 0.004 local terms energy: -293.452748 where: bonds (distance) C4'-P energy: -55.933 bonds (distance) P-C4' energy: -66.350 flat angles C4'-P-C4' energy: -67.483 flat angles P-C4'-P energy: -38.056 tors. eta vs tors. theta energy: -65.631 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: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -690.272100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.272100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.272100 (E_RNA) where: Base-Base interactions energy: -441.950 where: short stacking energy: -203.916 Base-Backbone interact. energy: -2.730 local terms energy: -245.592181 where: bonds (distance) C4'-P energy: -46.118 bonds (distance) P-C4' energy: -58.052 flat angles C4'-P-C4' energy: -51.652 flat angles P-C4'-P energy: -53.549 tors. eta vs tors. theta energy: -36.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -624.291133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.291133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.291133 (E_RNA) where: Base-Base interactions energy: -379.512 where: short stacking energy: -170.774 Base-Backbone interact. energy: 0.098 local terms energy: -244.876414 where: bonds (distance) C4'-P energy: -54.425 bonds (distance) P-C4' energy: -63.101 flat angles C4'-P-C4' energy: -51.774 flat angles P-C4'-P energy: -31.036 tors. eta vs tors. theta energy: -44.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -462.039927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.039927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.039927 (E_RNA) where: Base-Base interactions energy: -253.150 where: short stacking energy: -116.210 Base-Backbone interact. energy: -1.129 local terms energy: -207.760779 where: bonds (distance) C4'-P energy: -54.576 bonds (distance) P-C4' energy: -61.227 flat angles C4'-P-C4' energy: -42.561 flat angles P-C4'-P energy: -33.113 tors. eta vs tors. theta energy: -16.283 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: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -285.346679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.346679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.346679 (E_RNA) where: Base-Base interactions energy: -96.014 where: short stacking energy: -53.670 Base-Backbone interact. energy: -0.752 local terms energy: -188.581141 where: bonds (distance) C4'-P energy: -55.517 bonds (distance) P-C4' energy: -52.345 flat angles C4'-P-C4' energy: -59.293 flat angles P-C4'-P energy: -32.651 tors. eta vs tors. theta energy: 11.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -326.581488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.581488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.581488 (E_RNA) where: Base-Base interactions energy: -149.490 where: short stacking energy: -91.817 Base-Backbone interact. energy: 2.798 local terms energy: -179.889073 where: bonds (distance) C4'-P energy: -44.128 bonds (distance) P-C4' energy: -62.656 flat angles C4'-P-C4' energy: -41.974 flat angles P-C4'-P energy: -35.513 tors. eta vs tors. theta energy: 4.382 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: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1035.578699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.578699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.578699 (E_RNA) where: Base-Base interactions energy: -719.764 where: short stacking energy: -289.726 Base-Backbone interact. energy: 1.943 local terms energy: -317.758100 where: bonds (distance) C4'-P energy: -53.889 bonds (distance) P-C4' energy: -66.361 flat angles C4'-P-C4' energy: -72.640 flat angles P-C4'-P energy: -42.024 tors. eta vs tors. theta energy: -82.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -993.612490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.612490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.612490 (E_RNA) where: Base-Base interactions energy: -652.269 where: short stacking energy: -273.925 Base-Backbone interact. energy: -2.012 local terms energy: -339.331510 where: bonds (distance) C4'-P energy: -71.268 bonds (distance) P-C4' energy: -58.608 flat angles C4'-P-C4' energy: -74.548 flat angles P-C4'-P energy: -44.303 tors. eta vs tors. theta energy: -90.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -936.282608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.282608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.282608 (E_RNA) where: Base-Base interactions energy: -620.532 where: short stacking energy: -255.052 Base-Backbone interact. energy: -1.562 local terms energy: -314.188190 where: bonds (distance) C4'-P energy: -54.827 bonds (distance) P-C4' energy: -65.894 flat angles C4'-P-C4' energy: -69.284 flat angles P-C4'-P energy: -41.100 tors. eta vs tors. theta energy: -83.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -871.437098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.437098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.437098 (E_RNA) where: Base-Base interactions energy: -583.476 where: short stacking energy: -267.274 Base-Backbone interact. energy: -2.610 local terms energy: -285.350871 where: bonds (distance) C4'-P energy: -50.700 bonds (distance) P-C4' energy: -55.842 flat angles C4'-P-C4' energy: -63.420 flat angles P-C4'-P energy: -35.933 tors. eta vs tors. theta energy: -79.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -796.523847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.523847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.523847 (E_RNA) where: Base-Base interactions energy: -514.597 where: short stacking energy: -213.324 Base-Backbone interact. energy: 0.629 local terms energy: -282.555655 where: bonds (distance) C4'-P energy: -60.049 bonds (distance) P-C4' energy: -52.749 flat angles C4'-P-C4' energy: -66.845 flat angles P-C4'-P energy: -42.434 tors. eta vs tors. theta energy: -60.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -715.742223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.742223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.742223 (E_RNA) where: Base-Base interactions energy: -453.623 where: short stacking energy: -224.299 Base-Backbone interact. energy: -0.684 local terms energy: -261.435202 where: bonds (distance) C4'-P energy: -59.507 bonds (distance) P-C4' energy: -53.583 flat angles C4'-P-C4' energy: -56.047 flat angles P-C4'-P energy: -28.519 tors. eta vs tors. theta energy: -63.780 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: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -644.910206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.910206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.910206 (E_RNA) where: Base-Base interactions energy: -402.814 where: short stacking energy: -170.665 Base-Backbone interact. energy: -2.360 local terms energy: -239.736196 where: bonds (distance) C4'-P energy: -52.453 bonds (distance) P-C4' energy: -61.066 flat angles C4'-P-C4' energy: -53.815 flat angles P-C4'-P energy: -36.487 tors. eta vs tors. theta energy: -35.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -476.040331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.040331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.040331 (E_RNA) where: Base-Base interactions energy: -247.409 where: short stacking energy: -107.404 Base-Backbone interact. energy: -1.440 local terms energy: -227.191769 where: bonds (distance) C4'-P energy: -57.212 bonds (distance) P-C4' energy: -57.802 flat angles C4'-P-C4' energy: -59.530 flat angles P-C4'-P energy: -42.857 tors. eta vs tors. theta energy: -9.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -373.786431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.786431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.786431 (E_RNA) where: Base-Base interactions energy: -171.815 where: short stacking energy: -82.413 Base-Backbone interact. energy: 1.524 local terms energy: -203.495525 where: bonds (distance) C4'-P energy: -60.649 bonds (distance) P-C4' energy: -65.045 flat angles C4'-P-C4' energy: -53.191 flat angles P-C4'-P energy: -22.869 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -249.924508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.924508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.924508 (E_RNA) where: Base-Base interactions energy: -73.811 where: short stacking energy: -67.207 Base-Backbone interact. energy: -2.669 local terms energy: -173.444358 where: bonds (distance) C4'-P energy: -62.331 bonds (distance) P-C4' energy: -42.177 flat angles C4'-P-C4' energy: -60.193 flat angles P-C4'-P energy: -24.835 tors. eta vs tors. theta energy: 16.091 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: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1064.153603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.153603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.153603 (E_RNA) where: Base-Base interactions energy: -725.731 where: short stacking energy: -283.799 Base-Backbone interact. energy: -0.861 local terms energy: -337.561755 where: bonds (distance) C4'-P energy: -66.140 bonds (distance) P-C4' energy: -68.200 flat angles C4'-P-C4' energy: -70.469 flat angles P-C4'-P energy: -51.477 tors. eta vs tors. theta energy: -81.277 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: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -972.542712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.542712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.542712 (E_RNA) where: Base-Base interactions energy: -659.632 where: short stacking energy: -274.711 Base-Backbone interact. energy: -0.521 local terms energy: -312.390419 where: bonds (distance) C4'-P energy: -60.419 bonds (distance) P-C4' energy: -61.432 flat angles C4'-P-C4' energy: -67.776 flat angles P-C4'-P energy: -41.387 tors. eta vs tors. theta energy: -81.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -942.695406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.695406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.695406 (E_RNA) where: Base-Base interactions energy: -620.566 where: short stacking energy: -274.081 Base-Backbone interact. energy: -1.832 local terms energy: -320.297148 where: bonds (distance) C4'-P energy: -56.386 bonds (distance) P-C4' energy: -66.621 flat angles C4'-P-C4' energy: -70.128 flat angles P-C4'-P energy: -46.187 tors. eta vs tors. theta energy: -80.976 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: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -893.021355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.021355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.021355 (E_RNA) where: Base-Base interactions energy: -605.564 where: short stacking energy: -276.752 Base-Backbone interact. energy: 4.700 local terms energy: -292.157673 where: bonds (distance) C4'-P energy: -43.196 bonds (distance) P-C4' energy: -56.383 flat angles C4'-P-C4' energy: -71.432 flat angles P-C4'-P energy: -39.498 tors. eta vs tors. theta energy: -81.648 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: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -802.873531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.873531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.873531 (E_RNA) where: Base-Base interactions energy: -522.001 where: short stacking energy: -242.902 Base-Backbone interact. energy: -0.410 local terms energy: -280.462530 where: bonds (distance) C4'-P energy: -63.763 bonds (distance) P-C4' energy: -53.144 flat angles C4'-P-C4' energy: -50.831 flat angles P-C4'-P energy: -44.523 tors. eta vs tors. theta energy: -68.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -746.897378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.897378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.897378 (E_RNA) where: Base-Base interactions energy: -476.276 where: short stacking energy: -222.161 Base-Backbone interact. energy: 1.215 local terms energy: -271.835530 where: bonds (distance) C4'-P energy: -58.641 bonds (distance) P-C4' energy: -54.610 flat angles C4'-P-C4' energy: -63.171 flat angles P-C4'-P energy: -35.435 tors. eta vs tors. theta energy: -59.979 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: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -664.912133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.912133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.912133 (E_RNA) where: Base-Base interactions energy: -441.532 where: short stacking energy: -176.561 Base-Backbone interact. energy: 0.025 local terms energy: -223.405621 where: bonds (distance) C4'-P energy: -45.202 bonds (distance) P-C4' energy: -54.641 flat angles C4'-P-C4' energy: -54.381 flat angles P-C4'-P energy: -29.762 tors. eta vs tors. theta energy: -39.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -490.941802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.941802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.941802 (E_RNA) where: Base-Base interactions energy: -293.222 where: short stacking energy: -153.781 Base-Backbone interact. energy: -0.780 local terms energy: -196.940558 where: bonds (distance) C4'-P energy: -48.302 bonds (distance) P-C4' energy: -47.752 flat angles C4'-P-C4' energy: -49.920 flat angles P-C4'-P energy: -26.951 tors. eta vs tors. theta energy: -24.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -343.348734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.348734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.348734 (E_RNA) where: Base-Base interactions energy: -160.480 where: short stacking energy: -77.925 Base-Backbone interact. energy: 0.733 local terms energy: -183.602417 where: bonds (distance) C4'-P energy: -58.580 bonds (distance) P-C4' energy: -63.141 flat angles C4'-P-C4' energy: -41.478 flat angles P-C4'-P energy: -17.115 tors. eta vs tors. theta energy: -3.290 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: 3 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -269.143337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.143337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.143337 (E_RNA) where: Base-Base interactions energy: -96.243 where: short stacking energy: -71.633 Base-Backbone interact. energy: 1.298 local terms energy: -174.198449 where: bonds (distance) C4'-P energy: -49.011 bonds (distance) P-C4' energy: -54.147 flat angles C4'-P-C4' energy: -49.862 flat angles P-C4'-P energy: -25.536 tors. eta vs tors. theta energy: 4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1063.669659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.669659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.669659 (E_RNA) where: Base-Base interactions energy: -723.873 where: short stacking energy: -295.981 Base-Backbone interact. energy: -0.555 local terms energy: -339.242358 where: bonds (distance) C4'-P energy: -62.517 bonds (distance) P-C4' energy: -60.238 flat angles C4'-P-C4' energy: -75.499 flat angles P-C4'-P energy: -52.782 tors. eta vs tors. theta energy: -88.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -968.601651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.601651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.601651 (E_RNA) where: Base-Base interactions energy: -653.740 where: short stacking energy: -273.523 Base-Backbone interact. energy: 1.761 local terms energy: -316.623403 where: bonds (distance) C4'-P energy: -71.549 bonds (distance) P-C4' energy: -55.396 flat angles C4'-P-C4' energy: -68.802 flat angles P-C4'-P energy: -35.657 tors. eta vs tors. theta energy: -85.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -932.372602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.372602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.372602 (E_RNA) where: Base-Base interactions energy: -628.654 where: short stacking energy: -262.509 Base-Backbone interact. energy: 0.379 local terms energy: -304.097305 where: bonds (distance) C4'-P energy: -61.063 bonds (distance) P-C4' energy: -60.020 flat angles C4'-P-C4' energy: -62.806 flat angles P-C4'-P energy: -41.082 tors. eta vs tors. theta energy: -79.126 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: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -907.767452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.767452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.767452 (E_RNA) where: Base-Base interactions energy: -606.677 where: short stacking energy: -261.609 Base-Backbone interact. energy: -0.530 local terms energy: -300.560730 where: bonds (distance) C4'-P energy: -60.777 bonds (distance) P-C4' energy: -57.257 flat angles C4'-P-C4' energy: -66.905 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: -76.466 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: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -779.546118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.546118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.546118 (E_RNA) where: Base-Base interactions energy: -493.288 where: short stacking energy: -229.608 Base-Backbone interact. energy: -1.340 local terms energy: -284.917679 where: bonds (distance) C4'-P energy: -55.803 bonds (distance) P-C4' energy: -58.661 flat angles C4'-P-C4' energy: -72.550 flat angles P-C4'-P energy: -40.900 tors. eta vs tors. theta energy: -57.004 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: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -705.890794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.890794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.890794 (E_RNA) where: Base-Base interactions energy: -445.789 where: short stacking energy: -229.246 Base-Backbone interact. energy: 0.102 local terms energy: -260.203552 where: bonds (distance) C4'-P energy: -55.379 bonds (distance) P-C4' energy: -52.170 flat angles C4'-P-C4' energy: -57.344 flat angles P-C4'-P energy: -35.997 tors. eta vs tors. theta energy: -59.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -719.268517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.268517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.268517 (E_RNA) where: Base-Base interactions energy: -455.358 where: short stacking energy: -182.368 Base-Backbone interact. energy: -0.498 local terms energy: -263.412607 where: bonds (distance) C4'-P energy: -52.443 bonds (distance) P-C4' energy: -67.318 flat angles C4'-P-C4' energy: -65.892 flat angles P-C4'-P energy: -32.430 tors. eta vs tors. theta energy: -45.329 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: 4 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -497.797457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.797457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.797457 (E_RNA) where: Base-Base interactions energy: -269.255 where: short stacking energy: -134.400 Base-Backbone interact. energy: -0.274 local terms energy: -228.268112 where: bonds (distance) C4'-P energy: -53.010 bonds (distance) P-C4' energy: -52.583 flat angles C4'-P-C4' energy: -64.724 flat angles P-C4'-P energy: -29.415 tors. eta vs tors. theta energy: -28.535 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: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -371.006701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.006701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.006701 (E_RNA) where: Base-Base interactions energy: -192.234 where: short stacking energy: -102.374 Base-Backbone interact. energy: 0.396 local terms energy: -179.168840 where: bonds (distance) C4'-P energy: -45.799 bonds (distance) P-C4' energy: -51.812 flat angles C4'-P-C4' energy: -46.407 flat angles P-C4'-P energy: -39.233 tors. eta vs tors. theta energy: 4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -250.716809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.716809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.716809 (E_RNA) where: Base-Base interactions energy: -82.288 where: short stacking energy: -69.080 Base-Backbone interact. energy: 1.461 local terms energy: -169.889463 where: bonds (distance) C4'-P energy: -50.982 bonds (distance) P-C4' energy: -55.652 flat angles C4'-P-C4' energy: -42.696 flat angles P-C4'-P energy: -21.577 tors. eta vs tors. theta energy: 1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1044.886483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.886483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.886483 (E_RNA) where: Base-Base interactions energy: -708.683 where: short stacking energy: -308.950 Base-Backbone interact. energy: -3.059 local terms energy: -333.144234 where: bonds (distance) C4'-P energy: -51.845 bonds (distance) P-C4' energy: -62.967 flat angles C4'-P-C4' energy: -74.701 flat angles P-C4'-P energy: -50.902 tors. eta vs tors. theta energy: -92.729 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: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -956.688145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.688145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.688145 (E_RNA) where: Base-Base interactions energy: -640.783 where: short stacking energy: -276.273 Base-Backbone interact. energy: -0.588 local terms energy: -315.316877 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -67.754 flat angles C4'-P-C4' energy: -72.293 flat angles P-C4'-P energy: -33.975 tors. eta vs tors. theta energy: -76.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -922.213704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.213704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.213704 (E_RNA) where: Base-Base interactions energy: -602.890 where: short stacking energy: -253.492 Base-Backbone interact. energy: -1.214 local terms energy: -318.109571 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -62.633 flat angles C4'-P-C4' energy: -67.557 flat angles P-C4'-P energy: -50.703 tors. eta vs tors. theta energy: -76.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -860.344133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.344133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.344133 (E_RNA) where: Base-Base interactions energy: -565.432 where: short stacking energy: -254.736 Base-Backbone interact. energy: -0.308 local terms energy: -294.604486 where: bonds (distance) C4'-P energy: -49.325 bonds (distance) P-C4' energy: -54.406 flat angles C4'-P-C4' energy: -72.773 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: -68.576 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: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -785.444949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.444949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.444949 (E_RNA) where: Base-Base interactions energy: -509.697 where: short stacking energy: -232.177 Base-Backbone interact. energy: -1.339 local terms energy: -274.409081 where: bonds (distance) C4'-P energy: -57.639 bonds (distance) P-C4' energy: -59.398 flat angles C4'-P-C4' energy: -61.103 flat angles P-C4'-P energy: -44.108 tors. eta vs tors. theta energy: -52.160 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: 6, replica: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -740.171411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.171411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.171411 (E_RNA) where: Base-Base interactions energy: -472.629 where: short stacking energy: -218.047 Base-Backbone interact. energy: 0.286 local terms energy: -267.828332 where: bonds (distance) C4'-P energy: -54.885 bonds (distance) P-C4' energy: -52.164 flat angles C4'-P-C4' energy: -61.767 flat angles P-C4'-P energy: -43.768 tors. eta vs tors. theta energy: -55.244 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: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -670.687047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.687047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.687047 (E_RNA) where: Base-Base interactions energy: -413.972 where: short stacking energy: -197.074 Base-Backbone interact. energy: -1.880 local terms energy: -254.835010 where: bonds (distance) C4'-P energy: -45.367 bonds (distance) P-C4' energy: -46.726 flat angles C4'-P-C4' energy: -61.625 flat angles P-C4'-P energy: -42.881 tors. eta vs tors. theta energy: -58.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -509.461496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.461496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.461496 (E_RNA) where: Base-Base interactions energy: -290.692 where: short stacking energy: -137.867 Base-Backbone interact. energy: 2.106 local terms energy: -220.875390 where: bonds (distance) C4'-P energy: -59.390 bonds (distance) P-C4' energy: -60.977 flat angles C4'-P-C4' energy: -48.199 flat angles P-C4'-P energy: -27.056 tors. eta vs tors. theta energy: -25.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -355.814014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.814014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.814014 (E_RNA) where: Base-Base interactions energy: -172.596 where: short stacking energy: -96.879 Base-Backbone interact. energy: 1.149 local terms energy: -184.366884 where: bonds (distance) C4'-P energy: -48.335 bonds (distance) P-C4' energy: -51.848 flat angles C4'-P-C4' energy: -43.801 flat angles P-C4'-P energy: -35.911 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -269.865158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.865158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.865158 (E_RNA) where: Base-Base interactions energy: -92.122 where: short stacking energy: -86.565 Base-Backbone interact. energy: -0.041 local terms energy: -177.702808 where: bonds (distance) C4'-P energy: -45.398 bonds (distance) P-C4' energy: -48.722 flat angles C4'-P-C4' energy: -41.415 flat angles P-C4'-P energy: -33.847 tors. eta vs tors. theta energy: -8.322 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: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1035.768489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.768489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.768489 (E_RNA) where: Base-Base interactions energy: -688.170 where: short stacking energy: -284.174 Base-Backbone interact. energy: -1.388 local terms energy: -346.210133 where: bonds (distance) C4'-P energy: -69.120 bonds (distance) P-C4' energy: -61.907 flat angles C4'-P-C4' energy: -75.024 flat angles P-C4'-P energy: -48.573 tors. eta vs tors. theta energy: -91.586 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: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -969.736204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.736204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.736204 (E_RNA) where: Base-Base interactions energy: -648.365 where: short stacking energy: -272.468 Base-Backbone interact. energy: -1.110 local terms energy: -320.261548 where: bonds (distance) C4'-P energy: -55.167 bonds (distance) P-C4' energy: -66.538 flat angles C4'-P-C4' energy: -75.040 flat angles P-C4'-P energy: -51.620 tors. eta vs tors. theta energy: -71.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -910.424525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.424525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.424525 (E_RNA) where: Base-Base interactions energy: -593.969 where: short stacking energy: -263.862 Base-Backbone interact. energy: -1.144 local terms energy: -315.310849 where: bonds (distance) C4'-P energy: -58.977 bonds (distance) P-C4' energy: -65.765 flat angles C4'-P-C4' energy: -71.340 flat angles P-C4'-P energy: -39.806 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: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -880.748934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.748934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.748934 (E_RNA) where: Base-Base interactions energy: -566.564 where: short stacking energy: -255.539 Base-Backbone interact. energy: -0.256 local terms energy: -313.929492 where: bonds (distance) C4'-P energy: -61.887 bonds (distance) P-C4' energy: -69.555 flat angles C4'-P-C4' energy: -69.462 flat angles P-C4'-P energy: -40.881 tors. eta vs tors. theta energy: -72.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -775.837237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.837237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.837237 (E_RNA) where: Base-Base interactions energy: -509.954 where: short stacking energy: -224.129 Base-Backbone interact. energy: -2.079 local terms energy: -263.804383 where: bonds (distance) C4'-P energy: -52.427 bonds (distance) P-C4' energy: -61.033 flat angles C4'-P-C4' energy: -57.887 flat angles P-C4'-P energy: -40.765 tors. eta vs tors. theta energy: -51.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -732.505544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.505544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.505544 (E_RNA) where: Base-Base interactions energy: -478.805 where: short stacking energy: -191.459 Base-Backbone interact. energy: 0.992 local terms energy: -254.692531 where: bonds (distance) C4'-P energy: -56.661 bonds (distance) P-C4' energy: -57.148 flat angles C4'-P-C4' energy: -61.025 flat angles P-C4'-P energy: -31.946 tors. eta vs tors. theta energy: -47.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -657.439060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.439060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.439060 (E_RNA) where: Base-Base interactions energy: -425.412 where: short stacking energy: -188.135 Base-Backbone interact. energy: -0.962 local terms energy: -231.065811 where: bonds (distance) C4'-P energy: -55.202 bonds (distance) P-C4' energy: -47.641 flat angles C4'-P-C4' energy: -52.717 flat angles P-C4'-P energy: -34.045 tors. eta vs tors. theta energy: -41.462 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: 4 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -478.644834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.644834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.644834 (E_RNA) where: Base-Base interactions energy: -258.476 where: short stacking energy: -135.314 Base-Backbone interact. energy: -0.756 local terms energy: -219.412945 where: bonds (distance) C4'-P energy: -60.374 bonds (distance) P-C4' energy: -60.094 flat angles C4'-P-C4' energy: -55.988 flat angles P-C4'-P energy: -20.334 tors. eta vs tors. theta energy: -22.622 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: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -366.305931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.305931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.305931 (E_RNA) where: Base-Base interactions energy: -192.586 where: short stacking energy: -100.444 Base-Backbone interact. energy: -0.480 local terms energy: -173.239995 where: bonds (distance) C4'-P energy: -42.066 bonds (distance) P-C4' energy: -51.219 flat angles C4'-P-C4' energy: -39.647 flat angles P-C4'-P energy: -32.621 tors. eta vs tors. theta energy: -7.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -258.252027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.252027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.252027 (E_RNA) where: Base-Base interactions energy: -90.464 where: short stacking energy: -64.042 Base-Backbone interact. energy: -0.560 local terms energy: -167.227532 where: bonds (distance) C4'-P energy: -57.986 bonds (distance) P-C4' energy: -51.914 flat angles C4'-P-C4' energy: -43.989 flat angles P-C4'-P energy: -17.480 tors. eta vs tors. theta energy: 4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1041.670175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.670175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.670175 (E_RNA) where: Base-Base interactions energy: -700.573 where: short stacking energy: -303.962 Base-Backbone interact. energy: -1.515 local terms energy: -339.582586 where: bonds (distance) C4'-P energy: -59.288 bonds (distance) P-C4' energy: -61.970 flat angles C4'-P-C4' energy: -70.698 flat angles P-C4'-P energy: -52.809 tors. eta vs tors. theta energy: -94.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -978.605854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.605854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.605854 (E_RNA) where: Base-Base interactions energy: -669.722 where: short stacking energy: -274.804 Base-Backbone interact. energy: 3.591 local terms energy: -312.474491 where: bonds (distance) C4'-P energy: -58.668 bonds (distance) P-C4' energy: -66.835 flat angles C4'-P-C4' energy: -62.237 flat angles P-C4'-P energy: -46.148 tors. eta vs tors. theta energy: -78.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -936.657318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.657318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.657318 (E_RNA) where: Base-Base interactions energy: -642.678 where: short stacking energy: -269.117 Base-Backbone interact. energy: -1.496 local terms energy: -292.483957 where: bonds (distance) C4'-P energy: -50.676 bonds (distance) P-C4' energy: -50.510 flat angles C4'-P-C4' energy: -55.650 flat angles P-C4'-P energy: -49.549 tors. eta vs tors. theta energy: -86.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -905.096896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.096896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.096896 (E_RNA) where: Base-Base interactions energy: -586.811 where: short stacking energy: -267.463 Base-Backbone interact. energy: -0.308 local terms energy: -317.977515 where: bonds (distance) C4'-P energy: -60.336 bonds (distance) P-C4' energy: -60.967 flat angles C4'-P-C4' energy: -67.317 flat angles P-C4'-P energy: -44.874 tors. eta vs tors. theta energy: -84.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -762.008445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.008445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.008445 (E_RNA) where: Base-Base interactions energy: -508.953 where: short stacking energy: -206.759 Base-Backbone interact. energy: 1.658 local terms energy: -254.713052 where: bonds (distance) C4'-P energy: -50.185 bonds (distance) P-C4' energy: -55.508 flat angles C4'-P-C4' energy: -57.528 flat angles P-C4'-P energy: -37.276 tors. eta vs tors. theta energy: -54.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -781.135128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.135128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.135128 (E_RNA) where: Base-Base interactions energy: -485.552 where: short stacking energy: -229.052 Base-Backbone interact. energy: -1.968 local terms energy: -293.615416 where: bonds (distance) C4'-P energy: -62.243 bonds (distance) P-C4' energy: -51.739 flat angles C4'-P-C4' energy: -70.712 flat angles P-C4'-P energy: -42.416 tors. eta vs tors. theta energy: -66.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -651.925568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.925568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.925568 (E_RNA) where: Base-Base interactions energy: -407.227 where: short stacking energy: -175.603 Base-Backbone interact. energy: -0.352 local terms energy: -244.346211 where: bonds (distance) C4'-P energy: -53.304 bonds (distance) P-C4' energy: -58.058 flat angles C4'-P-C4' energy: -64.260 flat angles P-C4'-P energy: -27.059 tors. eta vs tors. theta energy: -41.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -466.730294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.730294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.730294 (E_RNA) where: Base-Base interactions energy: -278.674 where: short stacking energy: -127.788 Base-Backbone interact. energy: -1.613 local terms energy: -186.443555 where: bonds (distance) C4'-P energy: -48.494 bonds (distance) P-C4' energy: -54.703 flat angles C4'-P-C4' energy: -49.925 flat angles P-C4'-P energy: -26.918 tors. eta vs tors. theta energy: -6.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -371.439626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.439626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.439626 (E_RNA) where: Base-Base interactions energy: -168.984 where: short stacking energy: -112.825 Base-Backbone interact. energy: 0.389 local terms energy: -202.844520 where: bonds (distance) C4'-P energy: -43.398 bonds (distance) P-C4' energy: -62.266 flat angles C4'-P-C4' energy: -54.415 flat angles P-C4'-P energy: -37.517 tors. eta vs tors. theta energy: -5.249 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: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -240.360487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.360487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.360487 (E_RNA) where: Base-Base interactions energy: -82.730 where: short stacking energy: -63.343 Base-Backbone interact. energy: -0.260 local terms energy: -157.370678 where: bonds (distance) C4'-P energy: -51.186 bonds (distance) P-C4' energy: -59.099 flat angles C4'-P-C4' energy: -31.397 flat angles P-C4'-P energy: -22.519 tors. eta vs tors. theta energy: 6.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1043.319664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.319664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.319664 (E_RNA) where: Base-Base interactions energy: -694.946 where: short stacking energy: -296.440 Base-Backbone interact. energy: 0.091 local terms energy: -348.464453 where: bonds (distance) C4'-P energy: -60.191 bonds (distance) P-C4' energy: -70.779 flat angles C4'-P-C4' energy: -71.021 flat angles P-C4'-P energy: -53.749 tors. eta vs tors. theta energy: -92.725 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: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -945.408253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.408253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.408253 (E_RNA) where: Base-Base interactions energy: -626.782 where: short stacking energy: -265.016 Base-Backbone interact. energy: -0.996 local terms energy: -317.630471 where: bonds (distance) C4'-P energy: -59.434 bonds (distance) P-C4' energy: -71.421 flat angles C4'-P-C4' energy: -65.298 flat angles P-C4'-P energy: -47.978 tors. eta vs tors. theta energy: -73.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -980.819140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.819140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.819140 (E_RNA) where: Base-Base interactions energy: -657.476 where: short stacking energy: -287.144 Base-Backbone interact. energy: 1.203 local terms energy: -324.545531 where: bonds (distance) C4'-P energy: -62.952 bonds (distance) P-C4' energy: -55.533 flat angles C4'-P-C4' energy: -68.098 flat angles P-C4'-P energy: -52.204 tors. eta vs tors. theta energy: -85.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -870.082000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.082000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.082000 (E_RNA) where: Base-Base interactions energy: -552.188 where: short stacking energy: -258.142 Base-Backbone interact. energy: -0.212 local terms energy: -317.681670 where: bonds (distance) C4'-P energy: -57.720 bonds (distance) P-C4' energy: -71.376 flat angles C4'-P-C4' energy: -68.117 flat angles P-C4'-P energy: -47.643 tors. eta vs tors. theta energy: -72.826 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: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -808.491338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.491338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.491338 (E_RNA) where: Base-Base interactions energy: -507.825 where: short stacking energy: -220.018 Base-Backbone interact. energy: -2.457 local terms energy: -298.210133 where: bonds (distance) C4'-P energy: -71.311 bonds (distance) P-C4' energy: -64.860 flat angles C4'-P-C4' energy: -61.664 flat angles P-C4'-P energy: -39.182 tors. eta vs tors. theta energy: -61.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -726.805268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.805268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.805268 (E_RNA) where: Base-Base interactions energy: -462.129 where: short stacking energy: -188.579 Base-Backbone interact. energy: -1.344 local terms energy: -263.332322 where: bonds (distance) C4'-P energy: -53.603 bonds (distance) P-C4' energy: -56.873 flat angles C4'-P-C4' energy: -61.066 flat angles P-C4'-P energy: -37.363 tors. eta vs tors. theta energy: -54.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -680.084593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.084593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.084593 (E_RNA) where: Base-Base interactions energy: -407.283 where: short stacking energy: -180.940 Base-Backbone interact. energy: 0.345 local terms energy: -273.147112 where: bonds (distance) C4'-P energy: -57.910 bonds (distance) P-C4' energy: -64.153 flat angles C4'-P-C4' energy: -60.053 flat angles P-C4'-P energy: -43.845 tors. eta vs tors. theta energy: -47.186 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: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -479.036240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.036240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.036240 (E_RNA) where: Base-Base interactions energy: -267.711 where: short stacking energy: -152.399 Base-Backbone interact. energy: -1.174 local terms energy: -210.150934 where: bonds (distance) C4'-P energy: -50.336 bonds (distance) P-C4' energy: -58.086 flat angles C4'-P-C4' energy: -59.636 flat angles P-C4'-P energy: -21.697 tors. eta vs tors. theta energy: -20.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -358.211142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.211142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.211142 (E_RNA) where: Base-Base interactions energy: -172.412 where: short stacking energy: -111.596 Base-Backbone interact. energy: -0.335 local terms energy: -185.464061 where: bonds (distance) C4'-P energy: -49.669 bonds (distance) P-C4' energy: -60.136 flat angles C4'-P-C4' energy: -43.873 flat angles P-C4'-P energy: -25.777 tors. eta vs tors. theta energy: -6.008 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: 10, replica: 3 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -292.849114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.849114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.849114 (E_RNA) where: Base-Base interactions energy: -117.895 where: short stacking energy: -65.790 Base-Backbone interact. energy: 0.960 local terms energy: -175.914205 where: bonds (distance) C4'-P energy: -45.923 bonds (distance) P-C4' energy: -53.594 flat angles C4'-P-C4' energy: -49.691 flat angles P-C4'-P energy: -35.578 tors. eta vs tors. theta energy: 8.872 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: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1039.578585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.578585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.578585 (E_RNA) where: Base-Base interactions energy: -698.241 where: short stacking energy: -298.503 Base-Backbone interact. energy: -2.583 local terms energy: -338.754054 where: bonds (distance) C4'-P energy: -64.219 bonds (distance) P-C4' energy: -67.084 flat angles C4'-P-C4' energy: -69.468 flat angles P-C4'-P energy: -49.707 tors. eta vs tors. theta energy: -88.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -992.642377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.642377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.642377 (E_RNA) where: Base-Base interactions energy: -667.334 where: short stacking energy: -278.301 Base-Backbone interact. energy: 0.815 local terms energy: -326.123706 where: bonds (distance) C4'-P energy: -61.186 bonds (distance) P-C4' energy: -67.592 flat angles C4'-P-C4' energy: -61.308 flat angles P-C4'-P energy: -51.487 tors. eta vs tors. theta energy: -84.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -968.591106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.591106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.591106 (E_RNA) where: Base-Base interactions energy: -635.095 where: short stacking energy: -279.619 Base-Backbone interact. energy: -0.624 local terms energy: -332.871980 where: bonds (distance) C4'-P energy: -70.449 bonds (distance) P-C4' energy: -67.454 flat angles C4'-P-C4' energy: -68.561 flat angles P-C4'-P energy: -41.589 tors. eta vs tors. theta energy: -84.819 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: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -914.016306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.016306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.016306 (E_RNA) where: Base-Base interactions energy: -607.517 where: short stacking energy: -283.203 Base-Backbone interact. energy: 0.650 local terms energy: -307.149699 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -59.124 flat angles C4'-P-C4' energy: -69.858 flat angles P-C4'-P energy: -38.587 tors. eta vs tors. theta energy: -82.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -804.327517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.327517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.327517 (E_RNA) where: Base-Base interactions energy: -529.246 where: short stacking energy: -242.647 Base-Backbone interact. energy: 1.267 local terms energy: -276.348370 where: bonds (distance) C4'-P energy: -46.898 bonds (distance) P-C4' energy: -59.875 flat angles C4'-P-C4' energy: -67.194 flat angles P-C4'-P energy: -33.915 tors. eta vs tors. theta energy: -68.466 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: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -730.034819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.034819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.034819 (E_RNA) where: Base-Base interactions energy: -462.098 where: short stacking energy: -215.979 Base-Backbone interact. energy: -1.237 local terms energy: -266.700281 where: bonds (distance) C4'-P energy: -44.668 bonds (distance) P-C4' energy: -53.060 flat angles C4'-P-C4' energy: -75.570 flat angles P-C4'-P energy: -30.119 tors. eta vs tors. theta energy: -63.283 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: 103 Temperature: 1.200000 Total energy: -637.258972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.258972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.258972 (E_RNA) where: Base-Base interactions energy: -377.734 where: short stacking energy: -174.330 Base-Backbone interact. energy: 0.193 local terms energy: -259.718198 where: bonds (distance) C4'-P energy: -58.388 bonds (distance) P-C4' energy: -66.185 flat angles C4'-P-C4' energy: -56.327 flat angles P-C4'-P energy: -37.154 tors. eta vs tors. theta energy: -41.663 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: 4 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -478.217865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.217865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.217865 (E_RNA) where: Base-Base interactions energy: -279.610 where: short stacking energy: -122.101 Base-Backbone interact. energy: 0.736 local terms energy: -199.344112 where: bonds (distance) C4'-P energy: -54.276 bonds (distance) P-C4' energy: -54.991 flat angles C4'-P-C4' energy: -55.064 flat angles P-C4'-P energy: -29.860 tors. eta vs tors. theta energy: -5.152 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: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -418.844679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.844679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.844679 (E_RNA) where: Base-Base interactions energy: -210.567 where: short stacking energy: -98.812 Base-Backbone interact. energy: -0.944 local terms energy: -207.334209 where: bonds (distance) C4'-P energy: -49.916 bonds (distance) P-C4' energy: -62.928 flat angles C4'-P-C4' energy: -49.691 flat angles P-C4'-P energy: -28.273 tors. eta vs tors. theta energy: -16.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -247.980153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.980153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.980153 (E_RNA) where: Base-Base interactions energy: -84.958 where: short stacking energy: -58.963 Base-Backbone interact. energy: -0.914 local terms energy: -162.107560 where: bonds (distance) C4'-P energy: -42.927 bonds (distance) P-C4' energy: -61.465 flat angles C4'-P-C4' energy: -52.104 flat angles P-C4'-P energy: -25.026 tors. eta vs tors. theta energy: 19.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1047.455397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.455397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.455397 (E_RNA) where: Base-Base interactions energy: -709.975 where: short stacking energy: -296.208 Base-Backbone interact. energy: -0.241 local terms energy: -337.239423 where: bonds (distance) C4'-P energy: -62.011 bonds (distance) P-C4' energy: -63.845 flat angles C4'-P-C4' energy: -70.322 flat angles P-C4'-P energy: -47.361 tors. eta vs tors. theta energy: -93.700 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: 104 Temperature: 0.950000 Total energy: -1003.678702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.678702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.678702 (E_RNA) where: Base-Base interactions energy: -680.863 where: short stacking energy: -288.570 Base-Backbone interact. energy: -1.524 local terms energy: -321.291221 where: bonds (distance) C4'-P energy: -53.840 bonds (distance) P-C4' energy: -61.560 flat angles C4'-P-C4' energy: -69.905 flat angles P-C4'-P energy: -47.397 tors. eta vs tors. theta energy: -88.590 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: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -947.300112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.300112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.300112 (E_RNA) where: Base-Base interactions energy: -630.240 where: short stacking energy: -286.983 Base-Backbone interact. energy: -1.806 local terms energy: -315.254812 where: bonds (distance) C4'-P energy: -54.634 bonds (distance) P-C4' energy: -59.590 flat angles C4'-P-C4' energy: -69.295 flat angles P-C4'-P energy: -41.340 tors. eta vs tors. theta energy: -90.396 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: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -920.040011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.040011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.040011 (E_RNA) where: Base-Base interactions energy: -632.404 where: short stacking energy: -275.257 Base-Backbone interact. energy: -0.362 local terms energy: -287.273502 where: bonds (distance) C4'-P energy: -51.569 bonds (distance) P-C4' energy: -55.468 flat angles C4'-P-C4' energy: -58.347 flat angles P-C4'-P energy: -34.651 tors. eta vs tors. theta energy: -87.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -793.393062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.393062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.393062 (E_RNA) where: Base-Base interactions energy: -512.903 where: short stacking energy: -228.634 Base-Backbone interact. energy: -2.655 local terms energy: -277.835228 where: bonds (distance) C4'-P energy: -47.930 bonds (distance) P-C4' energy: -54.661 flat angles C4'-P-C4' energy: -62.512 flat angles P-C4'-P energy: -48.358 tors. eta vs tors. theta energy: -64.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -762.606729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.606729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.606729 (E_RNA) where: Base-Base interactions energy: -526.108 where: short stacking energy: -234.180 Base-Backbone interact. energy: 0.037 local terms energy: -236.535162 where: bonds (distance) C4'-P energy: -51.856 bonds (distance) P-C4' energy: -49.888 flat angles C4'-P-C4' energy: -46.789 flat angles P-C4'-P energy: -25.177 tors. eta vs tors. theta energy: -62.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -663.712515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.712515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.712515 (E_RNA) where: Base-Base interactions energy: -399.400 where: short stacking energy: -191.211 Base-Backbone interact. energy: -1.119 local terms energy: -263.193310 where: bonds (distance) C4'-P energy: -44.573 bonds (distance) P-C4' energy: -56.507 flat angles C4'-P-C4' energy: -60.448 flat angles P-C4'-P energy: -40.304 tors. eta vs tors. theta energy: -61.362 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: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -505.113360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.113360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.113360 (E_RNA) where: Base-Base interactions energy: -283.559 where: short stacking energy: -157.547 Base-Backbone interact. energy: -0.746 local terms energy: -220.808345 where: bonds (distance) C4'-P energy: -46.605 bonds (distance) P-C4' energy: -58.733 flat angles C4'-P-C4' energy: -54.974 flat angles P-C4'-P energy: -42.880 tors. eta vs tors. theta energy: -17.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -362.123358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.123358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.123358 (E_RNA) where: Base-Base interactions energy: -179.039 where: short stacking energy: -91.442 Base-Backbone interact. energy: 0.969 local terms energy: -184.053153 where: bonds (distance) C4'-P energy: -52.090 bonds (distance) P-C4' energy: -57.938 flat angles C4'-P-C4' energy: -34.960 flat angles P-C4'-P energy: -34.325 tors. eta vs tors. theta energy: -4.740 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: 3 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -243.356308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.356308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.356308 (E_RNA) where: Base-Base interactions energy: -75.472 where: short stacking energy: -52.411 Base-Backbone interact. energy: 1.387 local terms energy: -169.271259 where: bonds (distance) C4'-P energy: -37.766 bonds (distance) P-C4' energy: -62.391 flat angles C4'-P-C4' energy: -50.400 flat angles P-C4'-P energy: -29.114 tors. eta vs tors. theta energy: 10.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1070.696717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.696717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.696717 (E_RNA) where: Base-Base interactions energy: -730.018 where: short stacking energy: -308.703 Base-Backbone interact. energy: -1.074 local terms energy: -339.603907 where: bonds (distance) C4'-P energy: -65.844 bonds (distance) P-C4' energy: -60.357 flat angles C4'-P-C4' energy: -73.060 flat angles P-C4'-P energy: -46.671 tors. eta vs tors. theta energy: -93.672 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: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1001.083811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.083811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.083811 (E_RNA) where: Base-Base interactions energy: -679.643 where: short stacking energy: -296.970 Base-Backbone interact. energy: -0.614 local terms energy: -320.826928 where: bonds (distance) C4'-P energy: -57.192 bonds (distance) P-C4' energy: -59.366 flat angles C4'-P-C4' energy: -72.863 flat angles P-C4'-P energy: -44.057 tors. eta vs tors. theta energy: -87.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -926.457569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.457569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.457569 (E_RNA) where: Base-Base interactions energy: -610.889 where: short stacking energy: -279.401 Base-Backbone interact. energy: -1.164 local terms energy: -314.404655 where: bonds (distance) C4'-P energy: -57.107 bonds (distance) P-C4' energy: -63.944 flat angles C4'-P-C4' energy: -71.378 flat angles P-C4'-P energy: -44.095 tors. eta vs tors. theta energy: -77.881 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: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -900.385342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.385342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.385342 (E_RNA) where: Base-Base interactions energy: -602.609 where: short stacking energy: -257.917 Base-Backbone interact. energy: -0.330 local terms energy: -297.446077 where: bonds (distance) C4'-P energy: -55.415 bonds (distance) P-C4' energy: -62.658 flat angles C4'-P-C4' energy: -57.305 flat angles P-C4'-P energy: -44.022 tors. eta vs tors. theta energy: -78.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -785.251330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.251330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.251330 (E_RNA) where: Base-Base interactions energy: -501.733 where: short stacking energy: -209.702 Base-Backbone interact. energy: -4.605 local terms energy: -278.913829 where: bonds (distance) C4'-P energy: -50.865 bonds (distance) P-C4' energy: -58.246 flat angles C4'-P-C4' energy: -65.948 flat angles P-C4'-P energy: -37.025 tors. eta vs tors. theta energy: -66.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -671.222687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.222687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.222687 (E_RNA) where: Base-Base interactions energy: -462.606 where: short stacking energy: -196.814 Base-Backbone interact. energy: 1.518 local terms energy: -210.134599 where: bonds (distance) C4'-P energy: -45.165 bonds (distance) P-C4' energy: -42.478 flat angles C4'-P-C4' energy: -50.745 flat angles P-C4'-P energy: -33.774 tors. eta vs tors. theta energy: -37.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -645.506316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.506316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.506316 (E_RNA) where: Base-Base interactions energy: -409.081 where: short stacking energy: -181.352 Base-Backbone interact. energy: 4.095 local terms energy: -240.519826 where: bonds (distance) C4'-P energy: -44.233 bonds (distance) P-C4' energy: -68.562 flat angles C4'-P-C4' energy: -53.868 flat angles P-C4'-P energy: -26.100 tors. eta vs tors. theta energy: -47.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -500.155134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.155134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.155134 (E_RNA) where: Base-Base interactions energy: -267.644 where: short stacking energy: -138.806 Base-Backbone interact. energy: -1.799 local terms energy: -230.711504 where: bonds (distance) C4'-P energy: -58.746 bonds (distance) P-C4' energy: -63.334 flat angles C4'-P-C4' energy: -52.971 flat angles P-C4'-P energy: -25.718 tors. eta vs tors. theta energy: -29.943 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: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -411.192626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.192626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.192626 (E_RNA) where: Base-Base interactions energy: -219.963 where: short stacking energy: -114.319 Base-Backbone interact. energy: 0.180 local terms energy: -191.410123 where: bonds (distance) C4'-P energy: -50.615 bonds (distance) P-C4' energy: -44.621 flat angles C4'-P-C4' energy: -48.511 flat angles P-C4'-P energy: -40.239 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -264.907931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.907931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.907931 (E_RNA) where: Base-Base interactions energy: -103.304 where: short stacking energy: -74.767 Base-Backbone interact. energy: 1.702 local terms energy: -163.306017 where: bonds (distance) C4'-P energy: -41.533 bonds (distance) P-C4' energy: -56.583 flat angles C4'-P-C4' energy: -51.762 flat angles P-C4'-P energy: -33.779 tors. eta vs tors. theta energy: 20.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1025.835295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.835295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.835295 (E_RNA) where: Base-Base interactions energy: -700.621 where: short stacking energy: -296.231 Base-Backbone interact. energy: -1.286 local terms energy: -323.928302 where: bonds (distance) C4'-P energy: -58.209 bonds (distance) P-C4' energy: -63.361 flat angles C4'-P-C4' energy: -72.673 flat angles P-C4'-P energy: -45.579 tors. eta vs tors. theta energy: -84.107 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: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1035.369478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.369478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.369478 (E_RNA) where: Base-Base interactions energy: -701.192 where: short stacking energy: -304.677 Base-Backbone interact. energy: -3.162 local terms energy: -331.015669 where: bonds (distance) C4'-P energy: -66.644 bonds (distance) P-C4' energy: -61.600 flat angles C4'-P-C4' energy: -65.024 flat angles P-C4'-P energy: -42.966 tors. eta vs tors. theta energy: -94.783 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: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -915.449880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.449880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.449880 (E_RNA) where: Base-Base interactions energy: -615.126 where: short stacking energy: -276.941 Base-Backbone interact. energy: 0.544 local terms energy: -300.867757 where: bonds (distance) C4'-P energy: -56.105 bonds (distance) P-C4' energy: -49.444 flat angles C4'-P-C4' energy: -65.643 flat angles P-C4'-P energy: -37.424 tors. eta vs tors. theta energy: -92.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -884.716318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.716318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.716318 (E_RNA) where: Base-Base interactions energy: -591.537 where: short stacking energy: -248.312 Base-Backbone interact. energy: -2.084 local terms energy: -291.094924 where: bonds (distance) C4'-P energy: -56.990 bonds (distance) P-C4' energy: -62.352 flat angles C4'-P-C4' energy: -60.912 flat angles P-C4'-P energy: -44.289 tors. eta vs tors. theta energy: -66.552 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: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -805.858331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.858331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.858331 (E_RNA) where: Base-Base interactions energy: -539.456 where: short stacking energy: -235.858 Base-Backbone interact. energy: -2.903 local terms energy: -263.499870 where: bonds (distance) C4'-P energy: -53.564 bonds (distance) P-C4' energy: -46.568 flat angles C4'-P-C4' energy: -61.968 flat angles P-C4'-P energy: -37.436 tors. eta vs tors. theta energy: -63.964 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: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -689.441857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.441857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.441857 (E_RNA) where: Base-Base interactions energy: -407.312 where: short stacking energy: -192.869 Base-Backbone interact. energy: -0.429 local terms energy: -281.701350 where: bonds (distance) C4'-P energy: -57.012 bonds (distance) P-C4' energy: -68.579 flat angles C4'-P-C4' energy: -63.623 flat angles P-C4'-P energy: -47.396 tors. eta vs tors. theta energy: -45.091 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: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -732.581926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.581926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.581926 (E_RNA) where: Base-Base interactions energy: -468.958 where: short stacking energy: -206.771 Base-Backbone interact. energy: -0.313 local terms energy: -263.310164 where: bonds (distance) C4'-P energy: -51.491 bonds (distance) P-C4' energy: -54.842 flat angles C4'-P-C4' energy: -62.049 flat angles P-C4'-P energy: -37.174 tors. eta vs tors. theta energy: -57.754 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: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -509.958119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.958119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.958119 (E_RNA) where: Base-Base interactions energy: -284.572 where: short stacking energy: -150.471 Base-Backbone interact. energy: 2.709 local terms energy: -228.094924 where: bonds (distance) C4'-P energy: -57.223 bonds (distance) P-C4' energy: -55.588 flat angles C4'-P-C4' energy: -50.568 flat angles P-C4'-P energy: -37.965 tors. eta vs tors. theta energy: -26.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -437.857432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.857432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.857432 (E_RNA) where: Base-Base interactions energy: -235.613 where: short stacking energy: -121.583 Base-Backbone interact. energy: -1.024 local terms energy: -201.219908 where: bonds (distance) C4'-P energy: -51.196 bonds (distance) P-C4' energy: -45.870 flat angles C4'-P-C4' energy: -49.457 flat angles P-C4'-P energy: -35.905 tors. eta vs tors. theta energy: -18.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -260.510029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.510029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.510029 (E_RNA) where: Base-Base interactions energy: -92.549 where: short stacking energy: -74.044 Base-Backbone interact. energy: -1.466 local terms energy: -166.494559 where: bonds (distance) C4'-P energy: -45.713 bonds (distance) P-C4' energy: -61.814 flat angles C4'-P-C4' energy: -35.785 flat angles P-C4'-P energy: -24.924 tors. eta vs tors. theta energy: 1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1026.791167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.791167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.791167 (E_RNA) where: Base-Base interactions energy: -702.308 where: short stacking energy: -301.209 Base-Backbone interact. energy: 0.719 local terms energy: -325.202137 where: bonds (distance) C4'-P energy: -56.707 bonds (distance) P-C4' energy: -65.711 flat angles C4'-P-C4' energy: -77.233 flat angles P-C4'-P energy: -43.562 tors. eta vs tors. theta energy: -81.990 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: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1013.402799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.402799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.402799 (E_RNA) where: Base-Base interactions energy: -696.212 where: short stacking energy: -295.905 Base-Backbone interact. energy: -1.468 local terms energy: -315.723107 where: bonds (distance) C4'-P energy: -58.834 bonds (distance) P-C4' energy: -62.609 flat angles C4'-P-C4' energy: -63.834 flat angles P-C4'-P energy: -43.602 tors. eta vs tors. theta energy: -86.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -944.599165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.599165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.599165 (E_RNA) where: Base-Base interactions energy: -614.772 where: short stacking energy: -277.956 Base-Backbone interact. energy: -1.342 local terms energy: -328.484732 where: bonds (distance) C4'-P energy: -66.508 bonds (distance) P-C4' energy: -69.774 flat angles C4'-P-C4' energy: -63.910 flat angles P-C4'-P energy: -43.144 tors. eta vs tors. theta energy: -85.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -919.344370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.344370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.344370 (E_RNA) where: Base-Base interactions energy: -627.342 where: short stacking energy: -271.767 Base-Backbone interact. energy: -0.678 local terms energy: -291.324758 where: bonds (distance) C4'-P energy: -49.596 bonds (distance) P-C4' energy: -53.173 flat angles C4'-P-C4' energy: -70.619 flat angles P-C4'-P energy: -41.606 tors. eta vs tors. theta energy: -76.332 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: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -849.731624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.731624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.731624 (E_RNA) where: Base-Base interactions energy: -572.661 where: short stacking energy: -251.406 Base-Backbone interact. energy: -1.920 local terms energy: -275.151182 where: bonds (distance) C4'-P energy: -37.818 bonds (distance) P-C4' energy: -56.693 flat angles C4'-P-C4' energy: -63.838 flat angles P-C4'-P energy: -43.497 tors. eta vs tors. theta energy: -73.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -656.308885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.308885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.308885 (E_RNA) where: Base-Base interactions energy: -402.111 where: short stacking energy: -184.143 Base-Backbone interact. energy: 0.761 local terms energy: -254.958829 where: bonds (distance) C4'-P energy: -57.205 bonds (distance) P-C4' energy: -48.894 flat angles C4'-P-C4' energy: -60.080 flat angles P-C4'-P energy: -40.158 tors. eta vs tors. theta energy: -48.622 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: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -610.337875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.337875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.337875 (E_RNA) where: Base-Base interactions energy: -364.416 where: short stacking energy: -161.547 Base-Backbone interact. energy: -0.538 local terms energy: -245.383985 where: bonds (distance) C4'-P energy: -50.821 bonds (distance) P-C4' energy: -56.698 flat angles C4'-P-C4' energy: -67.986 flat angles P-C4'-P energy: -29.542 tors. eta vs tors. theta energy: -40.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -511.031947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.031947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.031947 (E_RNA) where: Base-Base interactions energy: -302.290 where: short stacking energy: -141.090 Base-Backbone interact. energy: -0.473 local terms energy: -208.268487 where: bonds (distance) C4'-P energy: -53.589 bonds (distance) P-C4' energy: -65.123 flat angles C4'-P-C4' energy: -54.651 flat angles P-C4'-P energy: -23.276 tors. eta vs tors. theta energy: -11.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -430.637685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.637685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.637685 (E_RNA) where: Base-Base interactions energy: -233.692 where: short stacking energy: -107.773 Base-Backbone interact. energy: 0.029 local terms energy: -196.974852 where: bonds (distance) C4'-P energy: -50.315 bonds (distance) P-C4' energy: -54.500 flat angles C4'-P-C4' energy: -46.105 flat angles P-C4'-P energy: -37.987 tors. eta vs tors. theta energy: -8.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -290.039721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.039721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.039721 (E_RNA) where: Base-Base interactions energy: -119.076 where: short stacking energy: -88.161 Base-Backbone interact. energy: 0.603 local terms energy: -171.566980 where: bonds (distance) C4'-P energy: -53.716 bonds (distance) P-C4' energy: -57.422 flat angles C4'-P-C4' energy: -42.075 flat angles P-C4'-P energy: -19.635 tors. eta vs tors. theta energy: 1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1065.469323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.469323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.469323 (E_RNA) where: Base-Base interactions energy: -723.546 where: short stacking energy: -283.464 Base-Backbone interact. energy: -1.522 local terms energy: -340.401529 where: bonds (distance) C4'-P energy: -65.041 bonds (distance) P-C4' energy: -74.226 flat angles C4'-P-C4' energy: -61.035 flat angles P-C4'-P energy: -50.936 tors. eta vs tors. theta energy: -89.163 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: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1004.939883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.939883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.939883 (E_RNA) where: Base-Base interactions energy: -695.951 where: short stacking energy: -276.896 Base-Backbone interact. energy: 0.155 local terms energy: -309.144139 where: bonds (distance) C4'-P energy: -55.191 bonds (distance) P-C4' energy: -59.566 flat angles C4'-P-C4' energy: -68.862 flat angles P-C4'-P energy: -47.640 tors. eta vs tors. theta energy: -77.885 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: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -936.172226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.172226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.172226 (E_RNA) where: Base-Base interactions energy: -611.449 where: short stacking energy: -260.395 Base-Backbone interact. energy: -1.149 local terms energy: -323.573763 where: bonds (distance) C4'-P energy: -61.020 bonds (distance) P-C4' energy: -57.804 flat angles C4'-P-C4' energy: -73.601 flat angles P-C4'-P energy: -44.741 tors. eta vs tors. theta energy: -86.408 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: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -906.480837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.480837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.480837 (E_RNA) where: Base-Base interactions energy: -601.264 where: short stacking energy: -254.667 Base-Backbone interact. energy: -2.794 local terms energy: -302.422313 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -64.353 flat angles C4'-P-C4' energy: -63.317 flat angles P-C4'-P energy: -39.293 tors. eta vs tors. theta energy: -76.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -791.272125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.272125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.272125 (E_RNA) where: Base-Base interactions energy: -517.055 where: short stacking energy: -228.672 Base-Backbone interact. energy: -0.898 local terms energy: -273.318645 where: bonds (distance) C4'-P energy: -59.073 bonds (distance) P-C4' energy: -63.135 flat angles C4'-P-C4' energy: -55.276 flat angles P-C4'-P energy: -42.958 tors. eta vs tors. theta energy: -52.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -713.901739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.901739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.901739 (E_RNA) where: Base-Base interactions energy: -447.597 where: short stacking energy: -225.598 Base-Backbone interact. energy: -0.412 local terms energy: -265.892150 where: bonds (distance) C4'-P energy: -52.856 bonds (distance) P-C4' energy: -58.824 flat angles C4'-P-C4' energy: -67.267 flat angles P-C4'-P energy: -31.937 tors. eta vs tors. theta energy: -55.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -634.480818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.480818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.480818 (E_RNA) where: Base-Base interactions energy: -385.088 where: short stacking energy: -171.295 Base-Backbone interact. energy: -0.707 local terms energy: -248.685801 where: bonds (distance) C4'-P energy: -50.348 bonds (distance) P-C4' energy: -54.352 flat angles C4'-P-C4' energy: -65.202 flat angles P-C4'-P energy: -33.543 tors. eta vs tors. theta energy: -45.242 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: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -474.168957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.168957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.168957 (E_RNA) where: Base-Base interactions energy: -257.516 where: short stacking energy: -136.643 Base-Backbone interact. energy: -0.978 local terms energy: -215.675313 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -57.773 flat angles C4'-P-C4' energy: -46.936 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -11.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -434.787983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.787983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.787983 (E_RNA) where: Base-Base interactions energy: -231.837 where: short stacking energy: -108.975 Base-Backbone interact. energy: -0.304 local terms energy: -202.647306 where: bonds (distance) C4'-P energy: -57.500 bonds (distance) P-C4' energy: -45.813 flat angles C4'-P-C4' energy: -57.546 flat angles P-C4'-P energy: -28.148 tors. eta vs tors. theta energy: -13.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -262.093830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.093830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.093830 (E_RNA) where: Base-Base interactions energy: -85.106 where: short stacking energy: -63.641 Base-Backbone interact. energy: 1.293 local terms energy: -178.281021 where: bonds (distance) C4'-P energy: -45.258 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -46.902 flat angles P-C4'-P energy: -34.353 tors. eta vs tors. theta energy: 6.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1045.452267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.452267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.452267 (E_RNA) where: Base-Base interactions energy: -708.164 where: short stacking energy: -295.088 Base-Backbone interact. energy: 0.026 local terms energy: -337.313901 where: bonds (distance) C4'-P energy: -62.908 bonds (distance) P-C4' energy: -60.785 flat angles C4'-P-C4' energy: -76.155 flat angles P-C4'-P energy: -50.649 tors. eta vs tors. theta energy: -86.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -978.766224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.766224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.766224 (E_RNA) where: Base-Base interactions energy: -661.847 where: short stacking energy: -281.481 Base-Backbone interact. energy: 0.286 local terms energy: -317.204838 where: bonds (distance) C4'-P energy: -59.714 bonds (distance) P-C4' energy: -64.483 flat angles C4'-P-C4' energy: -68.338 flat angles P-C4'-P energy: -43.973 tors. eta vs tors. theta energy: -80.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -955.441742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.441742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.441742 (E_RNA) where: Base-Base interactions energy: -646.082 where: short stacking energy: -277.093 Base-Backbone interact. energy: -0.799 local terms energy: -308.560540 where: bonds (distance) C4'-P energy: -59.040 bonds (distance) P-C4' energy: -63.848 flat angles C4'-P-C4' energy: -61.691 flat angles P-C4'-P energy: -39.394 tors. eta vs tors. theta energy: -84.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -888.807500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.807500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.807500 (E_RNA) where: Base-Base interactions energy: -583.967 where: short stacking energy: -243.051 Base-Backbone interact. energy: -0.020 local terms energy: -304.820358 where: bonds (distance) C4'-P energy: -54.386 bonds (distance) P-C4' energy: -59.409 flat angles C4'-P-C4' energy: -65.825 flat angles P-C4'-P energy: -48.456 tors. eta vs tors. theta energy: -76.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -765.099271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.099271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.099271 (E_RNA) where: Base-Base interactions energy: -489.025 where: short stacking energy: -242.682 Base-Backbone interact. energy: 0.237 local terms energy: -276.311247 where: bonds (distance) C4'-P energy: -51.335 bonds (distance) P-C4' energy: -58.673 flat angles C4'-P-C4' energy: -57.391 flat angles P-C4'-P energy: -37.271 tors. eta vs tors. theta energy: -71.642 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: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -667.666013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.666013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.666013 (E_RNA) where: Base-Base interactions energy: -424.058 where: short stacking energy: -181.369 Base-Backbone interact. energy: -0.836 local terms energy: -242.772079 where: bonds (distance) C4'-P energy: -64.050 bonds (distance) P-C4' energy: -57.482 flat angles C4'-P-C4' energy: -47.436 flat angles P-C4'-P energy: -40.177 tors. eta vs tors. theta energy: -33.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -624.301039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.301039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.301039 (E_RNA) where: Base-Base interactions energy: -386.377 where: short stacking energy: -187.840 Base-Backbone interact. energy: -0.934 local terms energy: -236.989465 where: bonds (distance) C4'-P energy: -48.905 bonds (distance) P-C4' energy: -52.834 flat angles C4'-P-C4' energy: -59.942 flat angles P-C4'-P energy: -26.757 tors. eta vs tors. theta energy: -48.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -480.225167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.225167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.225167 (E_RNA) where: Base-Base interactions energy: -254.689 where: short stacking energy: -119.231 Base-Backbone interact. energy: -1.331 local terms energy: -224.205679 where: bonds (distance) C4'-P energy: -56.861 bonds (distance) P-C4' energy: -58.953 flat angles C4'-P-C4' energy: -52.950 flat angles P-C4'-P energy: -37.140 tors. eta vs tors. theta energy: -18.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -476.298699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.298699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.298699 (E_RNA) where: Base-Base interactions energy: -251.825 where: short stacking energy: -131.152 Base-Backbone interact. energy: 1.316 local terms energy: -225.789407 where: bonds (distance) C4'-P energy: -62.454 bonds (distance) P-C4' energy: -56.261 flat angles C4'-P-C4' energy: -46.439 flat angles P-C4'-P energy: -33.128 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: 3 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -287.071647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.071647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.071647 (E_RNA) where: Base-Base interactions energy: -113.893 where: short stacking energy: -55.990 Base-Backbone interact. energy: -0.760 local terms energy: -172.418730 where: bonds (distance) C4'-P energy: -51.255 bonds (distance) P-C4' energy: -53.309 flat angles C4'-P-C4' energy: -44.608 flat angles P-C4'-P energy: -36.672 tors. eta vs tors. theta energy: 13.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1041.931702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.931702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.931702 (E_RNA) where: Base-Base interactions energy: -713.709 where: short stacking energy: -286.530 Base-Backbone interact. energy: -2.403 local terms energy: -325.819929 where: bonds (distance) C4'-P energy: -65.252 bonds (distance) P-C4' energy: -65.093 flat angles C4'-P-C4' energy: -66.572 flat angles P-C4'-P energy: -44.645 tors. eta vs tors. theta energy: -84.257 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: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -986.128141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.128141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.128141 (E_RNA) where: Base-Base interactions energy: -679.975 where: short stacking energy: -273.265 Base-Backbone interact. energy: -2.709 local terms energy: -303.443534 where: bonds (distance) C4'-P energy: -56.259 bonds (distance) P-C4' energy: -65.347 flat angles C4'-P-C4' energy: -67.847 flat angles P-C4'-P energy: -38.695 tors. eta vs tors. theta energy: -75.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -971.047048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.047048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.047048 (E_RNA) where: Base-Base interactions energy: -649.378 where: short stacking energy: -291.275 Base-Backbone interact. energy: -0.999 local terms energy: -320.669461 where: bonds (distance) C4'-P energy: -67.474 bonds (distance) P-C4' energy: -50.887 flat angles C4'-P-C4' energy: -57.722 flat angles P-C4'-P energy: -49.431 tors. eta vs tors. theta energy: -95.155 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: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -899.830744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.830744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.830744 (E_RNA) where: Base-Base interactions energy: -598.152 where: short stacking energy: -240.195 Base-Backbone interact. energy: -1.001 local terms energy: -300.677995 where: bonds (distance) C4'-P energy: -61.346 bonds (distance) P-C4' energy: -60.122 flat angles C4'-P-C4' energy: -65.749 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: -74.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -717.318635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.318635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.318635 (E_RNA) where: Base-Base interactions energy: -453.491 where: short stacking energy: -191.596 Base-Backbone interact. energy: 0.087 local terms energy: -263.914941 where: bonds (distance) C4'-P energy: -61.037 bonds (distance) P-C4' energy: -61.434 flat angles C4'-P-C4' energy: -61.665 flat angles P-C4'-P energy: -44.068 tors. eta vs tors. theta energy: -35.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -726.103768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.103768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.103768 (E_RNA) where: Base-Base interactions energy: -461.549 where: short stacking energy: -219.012 Base-Backbone interact. energy: -0.603 local terms energy: -263.951516 where: bonds (distance) C4'-P energy: -53.030 bonds (distance) P-C4' energy: -49.236 flat angles C4'-P-C4' energy: -58.640 flat angles P-C4'-P energy: -39.363 tors. eta vs tors. theta energy: -63.683 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: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -669.582641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.582641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.582641 (E_RNA) where: Base-Base interactions energy: -438.391 where: short stacking energy: -218.593 Base-Backbone interact. energy: -0.701 local terms energy: -230.490694 where: bonds (distance) C4'-P energy: -42.279 bonds (distance) P-C4' energy: -52.505 flat angles C4'-P-C4' energy: -57.250 flat angles P-C4'-P energy: -33.059 tors. eta vs tors. theta energy: -45.398 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: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -485.680170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.680170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.680170 (E_RNA) where: Base-Base interactions energy: -253.982 where: short stacking energy: -137.127 Base-Backbone interact. energy: -1.679 local terms energy: -230.018892 where: bonds (distance) C4'-P energy: -54.759 bonds (distance) P-C4' energy: -63.407 flat angles C4'-P-C4' energy: -57.538 flat angles P-C4'-P energy: -37.131 tors. eta vs tors. theta energy: -17.184 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: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -469.435248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.435248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.435248 (E_RNA) where: Base-Base interactions energy: -249.053 where: short stacking energy: -121.333 Base-Backbone interact. energy: -0.370 local terms energy: -220.013007 where: bonds (distance) C4'-P energy: -58.742 bonds (distance) P-C4' energy: -57.410 flat angles C4'-P-C4' energy: -59.540 flat angles P-C4'-P energy: -25.317 tors. eta vs tors. theta energy: -19.004 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: 3 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -263.425843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.425843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.425843 (E_RNA) where: Base-Base interactions energy: -100.693 where: short stacking energy: -69.799 Base-Backbone interact. energy: 0.093 local terms energy: -162.825809 where: bonds (distance) C4'-P energy: -42.734 bonds (distance) P-C4' energy: -52.808 flat angles C4'-P-C4' energy: -46.167 flat angles P-C4'-P energy: -33.621 tors. eta vs tors. theta energy: 12.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1055.087362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.087362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.087362 (E_RNA) where: Base-Base interactions energy: -714.109 where: short stacking energy: -283.819 Base-Backbone interact. energy: 0.353 local terms energy: -341.331791 where: bonds (distance) C4'-P energy: -64.688 bonds (distance) P-C4' energy: -66.376 flat angles C4'-P-C4' energy: -74.838 flat angles P-C4'-P energy: -47.696 tors. eta vs tors. theta energy: -87.734 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: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1005.046504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.046504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.046504 (E_RNA) where: Base-Base interactions energy: -690.985 where: short stacking energy: -300.809 Base-Backbone interact. energy: 0.134 local terms energy: -314.194977 where: bonds (distance) C4'-P energy: -63.681 bonds (distance) P-C4' energy: -55.131 flat angles C4'-P-C4' energy: -65.542 flat angles P-C4'-P energy: -44.983 tors. eta vs tors. theta energy: -84.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -982.110250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.110250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.110250 (E_RNA) where: Base-Base interactions energy: -658.703 where: short stacking energy: -296.063 Base-Backbone interact. energy: -1.077 local terms energy: -322.330357 where: bonds (distance) C4'-P energy: -63.576 bonds (distance) P-C4' energy: -70.967 flat angles C4'-P-C4' energy: -65.025 flat angles P-C4'-P energy: -29.766 tors. eta vs tors. theta energy: -92.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -908.511223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.511223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.511223 (E_RNA) where: Base-Base interactions energy: -622.932 where: short stacking energy: -272.050 Base-Backbone interact. energy: -0.003 local terms energy: -285.576095 where: bonds (distance) C4'-P energy: -51.734 bonds (distance) P-C4' energy: -51.189 flat angles C4'-P-C4' energy: -73.790 flat angles P-C4'-P energy: -36.328 tors. eta vs tors. theta energy: -72.535 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: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -739.053270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.053270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.053270 (E_RNA) where: Base-Base interactions energy: -486.323 where: short stacking energy: -200.244 Base-Backbone interact. energy: -1.754 local terms energy: -250.975934 where: bonds (distance) C4'-P energy: -46.250 bonds (distance) P-C4' energy: -55.667 flat angles C4'-P-C4' energy: -60.951 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: -48.643 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: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -721.793823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.793823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.793823 (E_RNA) where: Base-Base interactions energy: -435.838 where: short stacking energy: -190.706 Base-Backbone interact. energy: -0.628 local terms energy: -285.327689 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -57.357 flat angles C4'-P-C4' energy: -66.422 flat angles P-C4'-P energy: -44.625 tors. eta vs tors. theta energy: -51.998 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: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -638.000316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.000316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.000316 (E_RNA) where: Base-Base interactions energy: -402.099 where: short stacking energy: -194.596 Base-Backbone interact. energy: -0.823 local terms energy: -235.078542 where: bonds (distance) C4'-P energy: -49.143 bonds (distance) P-C4' energy: -45.655 flat angles C4'-P-C4' energy: -58.716 flat angles P-C4'-P energy: -32.740 tors. eta vs tors. theta energy: -48.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -475.397757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.397757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.397757 (E_RNA) where: Base-Base interactions energy: -278.857 where: short stacking energy: -126.404 Base-Backbone interact. energy: -2.211 local terms energy: -194.330049 where: bonds (distance) C4'-P energy: -52.853 bonds (distance) P-C4' energy: -54.549 flat angles C4'-P-C4' energy: -59.554 flat angles P-C4'-P energy: -28.747 tors. eta vs tors. theta energy: 1.372 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: 4 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -453.799214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.799214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.799214 (E_RNA) where: Base-Base interactions energy: -263.489 where: short stacking energy: -103.230 Base-Backbone interact. energy: -0.893 local terms energy: -189.417525 where: bonds (distance) C4'-P energy: -44.947 bonds (distance) P-C4' energy: -50.404 flat angles C4'-P-C4' energy: -58.243 flat angles P-C4'-P energy: -35.594 tors. eta vs tors. theta energy: -0.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -281.197827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.197827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.197827 (E_RNA) where: Base-Base interactions energy: -113.235 where: short stacking energy: -74.137 Base-Backbone interact. energy: -1.140 local terms energy: -166.822920 where: bonds (distance) C4'-P energy: -53.743 bonds (distance) P-C4' energy: -47.759 flat angles C4'-P-C4' energy: -42.058 flat angles P-C4'-P energy: -32.462 tors. eta vs tors. theta energy: 9.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1037.907876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.907876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.907876 (E_RNA) where: Base-Base interactions energy: -696.967 where: short stacking energy: -286.903 Base-Backbone interact. energy: -1.370 local terms energy: -339.571289 where: bonds (distance) C4'-P energy: -61.862 bonds (distance) P-C4' energy: -65.741 flat angles C4'-P-C4' energy: -67.408 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -89.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1000.113953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.113953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.113953 (E_RNA) where: Base-Base interactions energy: -680.269 where: short stacking energy: -271.272 Base-Backbone interact. energy: -0.860 local terms energy: -318.984558 where: bonds (distance) C4'-P energy: -59.342 bonds (distance) P-C4' energy: -64.497 flat angles C4'-P-C4' energy: -69.704 flat angles P-C4'-P energy: -44.647 tors. eta vs tors. theta energy: -80.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -977.778889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.778889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.778889 (E_RNA) where: Base-Base interactions energy: -645.365 where: short stacking energy: -280.355 Base-Backbone interact. energy: -1.950 local terms energy: -330.463403 where: bonds (distance) C4'-P energy: -52.796 bonds (distance) P-C4' energy: -57.812 flat angles C4'-P-C4' energy: -74.913 flat angles P-C4'-P energy: -44.986 tors. eta vs tors. theta energy: -99.957 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: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -918.642591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.642591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.642591 (E_RNA) where: Base-Base interactions energy: -621.824 where: short stacking energy: -252.824 Base-Backbone interact. energy: -1.964 local terms energy: -294.854824 where: bonds (distance) C4'-P energy: -56.600 bonds (distance) P-C4' energy: -62.545 flat angles C4'-P-C4' energy: -63.217 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -70.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -734.495526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.495526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.495526 (E_RNA) where: Base-Base interactions energy: -471.021 where: short stacking energy: -243.326 Base-Backbone interact. energy: -0.252 local terms energy: -263.222445 where: bonds (distance) C4'-P energy: -46.641 bonds (distance) P-C4' energy: -49.121 flat angles C4'-P-C4' energy: -65.356 flat angles P-C4'-P energy: -40.434 tors. eta vs tors. theta energy: -61.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -741.957089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.957089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.957089 (E_RNA) where: Base-Base interactions energy: -464.826 where: short stacking energy: -217.078 Base-Backbone interact. energy: -2.485 local terms energy: -274.645885 where: bonds (distance) C4'-P energy: -53.850 bonds (distance) P-C4' energy: -50.941 flat angles C4'-P-C4' energy: -61.507 flat angles P-C4'-P energy: -45.670 tors. eta vs tors. theta energy: -62.678 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: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -639.411495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.411495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.411495 (E_RNA) where: Base-Base interactions energy: -387.340 where: short stacking energy: -182.170 Base-Backbone interact. energy: -1.596 local terms energy: -250.475540 where: bonds (distance) C4'-P energy: -59.935 bonds (distance) P-C4' energy: -55.161 flat angles C4'-P-C4' energy: -54.855 flat angles P-C4'-P energy: -42.182 tors. eta vs tors. theta energy: -38.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -457.951234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.951234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.951234 (E_RNA) where: Base-Base interactions energy: -249.341 where: short stacking energy: -138.454 Base-Backbone interact. energy: -1.243 local terms energy: -207.367844 where: bonds (distance) C4'-P energy: -58.264 bonds (distance) P-C4' energy: -59.577 flat angles C4'-P-C4' energy: -55.997 flat angles P-C4'-P energy: -23.392 tors. eta vs tors. theta energy: -10.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -453.037826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.037826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.037826 (E_RNA) where: Base-Base interactions energy: -240.513 where: short stacking energy: -122.827 Base-Backbone interact. energy: -3.543 local terms energy: -208.982169 where: bonds (distance) C4'-P energy: -49.527 bonds (distance) P-C4' energy: -52.920 flat angles C4'-P-C4' energy: -43.736 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -21.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -242.065092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.065092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.065092 (E_RNA) where: Base-Base interactions energy: -80.583 where: short stacking energy: -57.847 Base-Backbone interact. energy: 1.113 local terms energy: -162.594637 where: bonds (distance) C4'-P energy: -49.674 bonds (distance) P-C4' energy: -47.717 flat angles C4'-P-C4' energy: -59.238 flat angles P-C4'-P energy: -22.684 tors. eta vs tors. theta energy: 16.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1037.832557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.832557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.832557 (E_RNA) where: Base-Base interactions energy: -706.479 where: short stacking energy: -288.001 Base-Backbone interact. energy: 1.817 local terms energy: -333.170667 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -65.028 flat angles C4'-P-C4' energy: -64.874 flat angles P-C4'-P energy: -50.058 tors. eta vs tors. theta energy: -84.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -994.474667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.474667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.474667 (E_RNA) where: Base-Base interactions energy: -684.489 where: short stacking energy: -285.364 Base-Backbone interact. energy: 0.987 local terms energy: -310.972124 where: bonds (distance) C4'-P energy: -56.620 bonds (distance) P-C4' energy: -60.370 flat angles C4'-P-C4' energy: -71.711 flat angles P-C4'-P energy: -39.769 tors. eta vs tors. theta energy: -82.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -930.558988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.558988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.558988 (E_RNA) where: Base-Base interactions energy: -627.856 where: short stacking energy: -267.882 Base-Backbone interact. energy: 0.203 local terms energy: -302.906127 where: bonds (distance) C4'-P energy: -50.188 bonds (distance) P-C4' energy: -55.321 flat angles C4'-P-C4' energy: -66.107 flat angles P-C4'-P energy: -49.862 tors. eta vs tors. theta energy: -81.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -921.689371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.689371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.689371 (E_RNA) where: Base-Base interactions energy: -618.250 where: short stacking energy: -254.568 Base-Backbone interact. energy: 1.488 local terms energy: -304.926797 where: bonds (distance) C4'-P energy: -57.016 bonds (distance) P-C4' energy: -61.330 flat angles C4'-P-C4' energy: -66.380 flat angles P-C4'-P energy: -48.019 tors. eta vs tors. theta energy: -72.182 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: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -809.609315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.609315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.609315 (E_RNA) where: Base-Base interactions energy: -526.574 where: short stacking energy: -235.904 Base-Backbone interact. energy: -0.195 local terms energy: -282.840152 where: bonds (distance) C4'-P energy: -49.314 bonds (distance) P-C4' energy: -59.480 flat angles C4'-P-C4' energy: -59.061 flat angles P-C4'-P energy: -46.018 tors. eta vs tors. theta energy: -68.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -678.649101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.649101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.649101 (E_RNA) where: Base-Base interactions energy: -437.124 where: short stacking energy: -188.544 Base-Backbone interact. energy: -1.830 local terms energy: -239.695245 where: bonds (distance) C4'-P energy: -45.606 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -64.272 flat angles P-C4'-P energy: -37.710 tors. eta vs tors. theta energy: -36.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -607.513627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.513627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.513627 (E_RNA) where: Base-Base interactions energy: -357.978 where: short stacking energy: -173.668 Base-Backbone interact. energy: 0.221 local terms energy: -249.756462 where: bonds (distance) C4'-P energy: -62.453 bonds (distance) P-C4' energy: -54.996 flat angles C4'-P-C4' energy: -58.884 flat angles P-C4'-P energy: -31.509 tors. eta vs tors. theta energy: -41.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -472.183543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.183543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.183543 (E_RNA) where: Base-Base interactions energy: -258.376 where: short stacking energy: -126.988 Base-Backbone interact. energy: -0.597 local terms energy: -213.210243 where: bonds (distance) C4'-P energy: -62.893 bonds (distance) P-C4' energy: -51.547 flat angles C4'-P-C4' energy: -49.580 flat angles P-C4'-P energy: -27.471 tors. eta vs tors. theta energy: -21.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -489.319043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.319043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.319043 (E_RNA) where: Base-Base interactions energy: -279.756 where: short stacking energy: -118.169 Base-Backbone interact. energy: -1.749 local terms energy: -207.814444 where: bonds (distance) C4'-P energy: -52.217 bonds (distance) P-C4' energy: -56.120 flat angles C4'-P-C4' energy: -39.240 flat angles P-C4'-P energy: -34.372 tors. eta vs tors. theta energy: -25.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -247.451306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.451306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.451306 (E_RNA) where: Base-Base interactions energy: -85.988 where: short stacking energy: -61.175 Base-Backbone interact. energy: 9.593 local terms energy: -171.056505 where: bonds (distance) C4'-P energy: -59.612 bonds (distance) P-C4' energy: -49.407 flat angles C4'-P-C4' energy: -44.698 flat angles P-C4'-P energy: -26.967 tors. eta vs tors. theta energy: 9.627 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: 114 Temperature: 0.900000 Total energy: -1051.996093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.996093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.996093 (E_RNA) where: Base-Base interactions energy: -706.497 where: short stacking energy: -295.422 Base-Backbone interact. energy: -0.704 local terms energy: -344.794994 where: bonds (distance) C4'-P energy: -64.065 bonds (distance) P-C4' energy: -68.049 flat angles C4'-P-C4' energy: -67.298 flat angles P-C4'-P energy: -61.596 tors. eta vs tors. theta energy: -83.787 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: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1033.693628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.693628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.693628 (E_RNA) where: Base-Base interactions energy: -706.474 where: short stacking energy: -289.141 Base-Backbone interact. energy: -1.625 local terms energy: -325.595347 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -60.556 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -88.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -964.998596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.998596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.998596 (E_RNA) where: Base-Base interactions energy: -644.575 where: short stacking energy: -289.031 Base-Backbone interact. energy: -2.344 local terms energy: -318.079358 where: bonds (distance) C4'-P energy: -62.963 bonds (distance) P-C4' energy: -53.361 flat angles C4'-P-C4' energy: -70.494 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -84.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -912.993671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.993671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.993671 (E_RNA) where: Base-Base interactions energy: -617.707 where: short stacking energy: -266.650 Base-Backbone interact. energy: -1.416 local terms energy: -293.871336 where: bonds (distance) C4'-P energy: -47.833 bonds (distance) P-C4' energy: -57.245 flat angles C4'-P-C4' energy: -69.680 flat angles P-C4'-P energy: -40.224 tors. eta vs tors. theta energy: -78.889 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: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -809.042418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.042418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.042418 (E_RNA) where: Base-Base interactions energy: -523.445 where: short stacking energy: -240.063 Base-Backbone interact. energy: -1.799 local terms energy: -283.798664 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -60.148 flat angles C4'-P-C4' energy: -61.426 flat angles P-C4'-P energy: -36.284 tors. eta vs tors. theta energy: -68.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -686.485656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.485656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.485656 (E_RNA) where: Base-Base interactions energy: -431.400 where: short stacking energy: -184.445 Base-Backbone interact. energy: -1.078 local terms energy: -254.007756 where: bonds (distance) C4'-P energy: -45.289 bonds (distance) P-C4' energy: -56.144 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -39.468 tors. eta vs tors. theta energy: -49.899 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: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -650.071883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.071883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.071883 (E_RNA) where: Base-Base interactions energy: -393.480 where: short stacking energy: -187.041 Base-Backbone interact. energy: 1.442 local terms energy: -258.033650 where: bonds (distance) C4'-P energy: -58.292 bonds (distance) P-C4' energy: -51.177 flat angles C4'-P-C4' energy: -64.912 flat angles P-C4'-P energy: -40.659 tors. eta vs tors. theta energy: -42.994 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: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -476.110808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.110808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.110808 (E_RNA) where: Base-Base interactions energy: -258.284 where: short stacking energy: -130.068 Base-Backbone interact. energy: 0.087 local terms energy: -217.914261 where: bonds (distance) C4'-P energy: -53.466 bonds (distance) P-C4' energy: -52.162 flat angles C4'-P-C4' energy: -70.511 flat angles P-C4'-P energy: -24.819 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: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -458.582779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.582779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.582779 (E_RNA) where: Base-Base interactions energy: -260.192 where: short stacking energy: -124.013 Base-Backbone interact. energy: -1.172 local terms energy: -197.219303 where: bonds (distance) C4'-P energy: -49.817 bonds (distance) P-C4' energy: -53.237 flat angles C4'-P-C4' energy: -51.724 flat angles P-C4'-P energy: -27.368 tors. eta vs tors. theta energy: -15.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -260.199667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.199667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.199667 (E_RNA) where: Base-Base interactions energy: -88.868 where: short stacking energy: -70.137 Base-Backbone interact. energy: -1.374 local terms energy: -169.957978 where: bonds (distance) C4'-P energy: -45.637 bonds (distance) P-C4' energy: -57.842 flat angles C4'-P-C4' energy: -54.282 flat angles P-C4'-P energy: -13.145 tors. eta vs tors. theta energy: 0.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1032.730331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.730331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.730331 (E_RNA) where: Base-Base interactions energy: -696.150 where: short stacking energy: -291.569 Base-Backbone interact. energy: 1.481 local terms energy: -338.061554 where: bonds (distance) C4'-P energy: -68.925 bonds (distance) P-C4' energy: -58.664 flat angles C4'-P-C4' energy: -72.960 flat angles P-C4'-P energy: -52.390 tors. eta vs tors. theta energy: -85.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1018.980865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.980865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.980865 (E_RNA) where: Base-Base interactions energy: -694.942 where: short stacking energy: -288.532 Base-Backbone interact. energy: 0.151 local terms energy: -324.189958 where: bonds (distance) C4'-P energy: -63.825 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -66.732 flat angles P-C4'-P energy: -50.119 tors. eta vs tors. theta energy: -77.435 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: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -952.708023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.708023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.708023 (E_RNA) where: Base-Base interactions energy: -629.673 where: short stacking energy: -279.578 Base-Backbone interact. energy: -0.469 local terms energy: -322.566032 where: bonds (distance) C4'-P energy: -66.877 bonds (distance) P-C4' energy: -66.380 flat angles C4'-P-C4' energy: -68.954 flat angles P-C4'-P energy: -36.147 tors. eta vs tors. theta energy: -84.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -935.390548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.390548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.390548 (E_RNA) where: Base-Base interactions energy: -622.515 where: short stacking energy: -273.250 Base-Backbone interact. energy: 0.552 local terms energy: -313.428085 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -75.382 flat angles C4'-P-C4' energy: -63.400 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: -74.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -781.698894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.698894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.698894 (E_RNA) where: Base-Base interactions energy: -510.787 where: short stacking energy: -233.487 Base-Backbone interact. energy: 0.342 local terms energy: -271.253769 where: bonds (distance) C4'-P energy: -55.326 bonds (distance) P-C4' energy: -51.153 flat angles C4'-P-C4' energy: -66.206 flat angles P-C4'-P energy: -29.934 tors. eta vs tors. theta energy: -68.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -682.719551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.719551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.719551 (E_RNA) where: Base-Base interactions energy: -429.935 where: short stacking energy: -181.007 Base-Backbone interact. energy: -2.881 local terms energy: -249.903837 where: bonds (distance) C4'-P energy: -51.968 bonds (distance) P-C4' energy: -62.021 flat angles C4'-P-C4' energy: -55.070 flat angles P-C4'-P energy: -38.966 tors. eta vs tors. theta energy: -41.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -628.650485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.650485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.650485 (E_RNA) where: Base-Base interactions energy: -386.715 where: short stacking energy: -184.828 Base-Backbone interact. energy: 1.763 local terms energy: -243.698201 where: bonds (distance) C4'-P energy: -59.350 bonds (distance) P-C4' energy: -50.514 flat angles C4'-P-C4' energy: -57.274 flat angles P-C4'-P energy: -31.582 tors. eta vs tors. theta energy: -44.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -496.978975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.978975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.978975 (E_RNA) where: Base-Base interactions energy: -277.548 where: short stacking energy: -166.451 Base-Backbone interact. energy: -1.145 local terms energy: -218.286373 where: bonds (distance) C4'-P energy: -40.802 bonds (distance) P-C4' energy: -63.208 flat angles C4'-P-C4' energy: -51.911 flat angles P-C4'-P energy: -34.100 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: 9, replica: 4 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -476.390784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.390784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.390784 (E_RNA) where: Base-Base interactions energy: -254.165 where: short stacking energy: -142.395 Base-Backbone interact. energy: -0.275 local terms energy: -221.949819 where: bonds (distance) C4'-P energy: -60.071 bonds (distance) P-C4' energy: -47.599 flat angles C4'-P-C4' energy: -53.866 flat angles P-C4'-P energy: -25.709 tors. eta vs tors. theta energy: -34.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -269.255913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.255913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.255913 (E_RNA) where: Base-Base interactions energy: -97.433 where: short stacking energy: -55.990 Base-Backbone interact. energy: -1.453 local terms energy: -170.370316 where: bonds (distance) C4'-P energy: -50.947 bonds (distance) P-C4' energy: -60.203 flat angles C4'-P-C4' energy: -45.603 flat angles P-C4'-P energy: -27.528 tors. eta vs tors. theta energy: 13.911 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: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1029.319864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.319864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.319864 (E_RNA) where: Base-Base interactions energy: -689.741 where: short stacking energy: -286.743 Base-Backbone interact. energy: -0.655 local terms energy: -338.923597 where: bonds (distance) C4'-P energy: -62.530 bonds (distance) P-C4' energy: -64.620 flat angles C4'-P-C4' energy: -74.248 flat angles P-C4'-P energy: -44.542 tors. eta vs tors. theta energy: -92.984 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: 116 Temperature: 0.950000 Total energy: -1045.686976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.686976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.686976 (E_RNA) where: Base-Base interactions energy: -715.290 where: short stacking energy: -284.400 Base-Backbone interact. energy: -0.676 local terms energy: -329.720424 where: bonds (distance) C4'-P energy: -56.094 bonds (distance) P-C4' energy: -68.027 flat angles C4'-P-C4' energy: -69.313 flat angles P-C4'-P energy: -47.166 tors. eta vs tors. theta energy: -89.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -996.487750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.487750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.487750 (E_RNA) where: Base-Base interactions energy: -669.325 where: short stacking energy: -276.596 Base-Backbone interact. energy: -2.039 local terms energy: -325.123679 where: bonds (distance) C4'-P energy: -65.823 bonds (distance) P-C4' energy: -69.597 flat angles C4'-P-C4' energy: -66.325 flat angles P-C4'-P energy: -28.491 tors. eta vs tors. theta energy: -94.887 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: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -924.383585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.383585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.383585 (E_RNA) where: Base-Base interactions energy: -617.970 where: short stacking energy: -269.891 Base-Backbone interact. energy: -0.235 local terms energy: -306.178146 where: bonds (distance) C4'-P energy: -57.079 bonds (distance) P-C4' energy: -50.142 flat angles C4'-P-C4' energy: -65.999 flat angles P-C4'-P energy: -47.792 tors. eta vs tors. theta energy: -85.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -784.016709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.016709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.016709 (E_RNA) where: Base-Base interactions energy: -496.516 where: short stacking energy: -207.806 Base-Backbone interact. energy: 0.195 local terms energy: -287.696015 where: bonds (distance) C4'-P energy: -71.242 bonds (distance) P-C4' energy: -63.294 flat angles C4'-P-C4' energy: -58.913 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -50.035 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: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -683.490105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.490105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.490105 (E_RNA) where: Base-Base interactions energy: -415.959 where: short stacking energy: -178.826 Base-Backbone interact. energy: -0.701 local terms energy: -266.829965 where: bonds (distance) C4'-P energy: -53.223 bonds (distance) P-C4' energy: -66.162 flat angles C4'-P-C4' energy: -59.195 flat angles P-C4'-P energy: -40.913 tors. eta vs tors. theta energy: -47.338 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: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -638.039899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.039899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.039899 (E_RNA) where: Base-Base interactions energy: -399.800 where: short stacking energy: -190.767 Base-Backbone interact. energy: -1.315 local terms energy: -236.924502 where: bonds (distance) C4'-P energy: -53.998 bonds (distance) P-C4' energy: -44.868 flat angles C4'-P-C4' energy: -63.405 flat angles P-C4'-P energy: -27.808 tors. eta vs tors. theta energy: -46.845 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: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -506.411781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.411781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.411781 (E_RNA) where: Base-Base interactions energy: -275.307 where: short stacking energy: -154.408 Base-Backbone interact. energy: -1.060 local terms energy: -230.044597 where: bonds (distance) C4'-P energy: -46.455 bonds (distance) P-C4' energy: -63.378 flat angles C4'-P-C4' energy: -58.479 flat angles P-C4'-P energy: -33.718 tors. eta vs tors. theta energy: -28.014 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: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -474.704902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.704902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.704902 (E_RNA) where: Base-Base interactions energy: -262.065 where: short stacking energy: -126.065 Base-Backbone interact. energy: -0.409 local terms energy: -212.230992 where: bonds (distance) C4'-P energy: -52.634 bonds (distance) P-C4' energy: -60.886 flat angles C4'-P-C4' energy: -43.799 flat angles P-C4'-P energy: -32.745 tors. eta vs tors. theta energy: -22.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -262.788417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.788417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.788417 (E_RNA) where: Base-Base interactions energy: -109.512 where: short stacking energy: -77.567 Base-Backbone interact. energy: -0.220 local terms energy: -153.056141 where: bonds (distance) C4'-P energy: -38.101 bonds (distance) P-C4' energy: -60.535 flat angles C4'-P-C4' energy: -44.015 flat angles P-C4'-P energy: -15.684 tors. eta vs tors. theta energy: 5.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1030.093818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.093818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.093818 (E_RNA) where: Base-Base interactions energy: -694.048 where: short stacking energy: -293.601 Base-Backbone interact. energy: -1.265 local terms energy: -334.781285 where: bonds (distance) C4'-P energy: -62.428 bonds (distance) P-C4' energy: -65.538 flat angles C4'-P-C4' energy: -70.907 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -86.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1041.403330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.403330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.403330 (E_RNA) where: Base-Base interactions energy: -719.659 where: short stacking energy: -310.275 Base-Backbone interact. energy: -1.000 local terms energy: -320.744915 where: bonds (distance) C4'-P energy: -57.082 bonds (distance) P-C4' energy: -60.562 flat angles C4'-P-C4' energy: -68.691 flat angles P-C4'-P energy: -46.835 tors. eta vs tors. theta energy: -87.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -974.225002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.225002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.225002 (E_RNA) where: Base-Base interactions energy: -652.317 where: short stacking energy: -291.385 Base-Backbone interact. energy: -1.124 local terms energy: -320.783370 where: bonds (distance) C4'-P energy: -64.771 bonds (distance) P-C4' energy: -61.981 flat angles C4'-P-C4' energy: -71.954 flat angles P-C4'-P energy: -32.451 tors. eta vs tors. theta energy: -89.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -895.705523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.705523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.705523 (E_RNA) where: Base-Base interactions energy: -590.591 where: short stacking energy: -256.591 Base-Backbone interact. energy: 0.354 local terms energy: -305.468254 where: bonds (distance) C4'-P energy: -57.810 bonds (distance) P-C4' energy: -60.511 flat angles C4'-P-C4' energy: -58.649 flat angles P-C4'-P energy: -43.225 tors. eta vs tors. theta energy: -85.274 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: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -782.711715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.711715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.711715 (E_RNA) where: Base-Base interactions energy: -516.712 where: short stacking energy: -218.891 Base-Backbone interact. energy: 1.644 local terms energy: -267.644448 where: bonds (distance) C4'-P energy: -45.879 bonds (distance) P-C4' energy: -59.377 flat angles C4'-P-C4' energy: -61.725 flat angles P-C4'-P energy: -40.741 tors. eta vs tors. theta energy: -59.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -661.815814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.815814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.815814 (E_RNA) where: Base-Base interactions energy: -392.012 where: short stacking energy: -189.944 Base-Backbone interact. energy: 0.278 local terms energy: -270.082073 where: bonds (distance) C4'-P energy: -53.370 bonds (distance) P-C4' energy: -62.713 flat angles C4'-P-C4' energy: -59.488 flat angles P-C4'-P energy: -43.195 tors. eta vs tors. theta energy: -51.316 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: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -611.017630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.017630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.017630 (E_RNA) where: Base-Base interactions energy: -368.592 where: short stacking energy: -176.267 Base-Backbone interact. energy: 1.944 local terms energy: -244.369915 where: bonds (distance) C4'-P energy: -55.653 bonds (distance) P-C4' energy: -58.476 flat angles C4'-P-C4' energy: -58.858 flat angles P-C4'-P energy: -38.875 tors. eta vs tors. theta energy: -32.508 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: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -507.716318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.716318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.716318 (E_RNA) where: Base-Base interactions energy: -283.094 where: short stacking energy: -164.278 Base-Backbone interact. energy: 0.745 local terms energy: -225.366601 where: bonds (distance) C4'-P energy: -60.841 bonds (distance) P-C4' energy: -43.379 flat angles C4'-P-C4' energy: -48.974 flat angles P-C4'-P energy: -41.497 tors. eta vs tors. theta energy: -30.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -478.674707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.674707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.674707 (E_RNA) where: Base-Base interactions energy: -254.697 where: short stacking energy: -139.374 Base-Backbone interact. energy: 0.148 local terms energy: -224.126377 where: bonds (distance) C4'-P energy: -53.012 bonds (distance) P-C4' energy: -57.667 flat angles C4'-P-C4' energy: -54.943 flat angles P-C4'-P energy: -41.210 tors. eta vs tors. theta energy: -17.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -260.272093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.272093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.272093 (E_RNA) where: Base-Base interactions energy: -89.947 where: short stacking energy: -78.803 Base-Backbone interact. energy: 1.385 local terms energy: -171.710313 where: bonds (distance) C4'-P energy: -51.688 bonds (distance) P-C4' energy: -43.949 flat angles C4'-P-C4' energy: -49.817 flat angles P-C4'-P energy: -27.029 tors. eta vs tors. theta energy: 0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1044.182919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.182919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.182919 (E_RNA) where: Base-Base interactions energy: -712.906 where: short stacking energy: -292.823 Base-Backbone interact. energy: 0.160 local terms energy: -331.436849 where: bonds (distance) C4'-P energy: -57.510 bonds (distance) P-C4' energy: -60.682 flat angles C4'-P-C4' energy: -71.440 flat angles P-C4'-P energy: -51.538 tors. eta vs tors. theta energy: -90.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -993.989546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.989546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.989546 (E_RNA) where: Base-Base interactions energy: -666.845 where: short stacking energy: -292.206 Base-Backbone interact. energy: -0.678 local terms energy: -326.466637 where: bonds (distance) C4'-P energy: -54.242 bonds (distance) P-C4' energy: -68.265 flat angles C4'-P-C4' energy: -70.534 flat angles P-C4'-P energy: -48.153 tors. eta vs tors. theta energy: -85.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -965.963177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.963177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.963177 (E_RNA) where: Base-Base interactions energy: -651.002 where: short stacking energy: -278.259 Base-Backbone interact. energy: -1.751 local terms energy: -313.210609 where: bonds (distance) C4'-P energy: -56.813 bonds (distance) P-C4' energy: -67.580 flat angles C4'-P-C4' energy: -61.659 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: -82.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -882.154666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.154666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.154666 (E_RNA) where: Base-Base interactions energy: -584.246 where: short stacking energy: -236.425 Base-Backbone interact. energy: -1.604 local terms energy: -296.304496 where: bonds (distance) C4'-P energy: -65.772 bonds (distance) P-C4' energy: -70.736 flat angles C4'-P-C4' energy: -57.511 flat angles P-C4'-P energy: -35.652 tors. eta vs tors. theta energy: -66.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -790.010372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.010372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.010372 (E_RNA) where: Base-Base interactions energy: -515.547 where: short stacking energy: -226.542 Base-Backbone interact. energy: -0.940 local terms energy: -273.524228 where: bonds (distance) C4'-P energy: -55.256 bonds (distance) P-C4' energy: -63.211 flat angles C4'-P-C4' energy: -61.140 flat angles P-C4'-P energy: -35.101 tors. eta vs tors. theta energy: -58.817 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: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -693.051207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.051207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.051207 (E_RNA) where: Base-Base interactions energy: -436.255 where: short stacking energy: -192.082 Base-Backbone interact. energy: 0.174 local terms energy: -256.971106 where: bonds (distance) C4'-P energy: -54.086 bonds (distance) P-C4' energy: -53.904 flat angles C4'-P-C4' energy: -54.051 flat angles P-C4'-P energy: -43.014 tors. eta vs tors. theta energy: -51.915 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: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -578.614295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.614295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.614295 (E_RNA) where: Base-Base interactions energy: -342.339 where: short stacking energy: -165.221 Base-Backbone interact. energy: -0.122 local terms energy: -236.153025 where: bonds (distance) C4'-P energy: -51.651 bonds (distance) P-C4' energy: -60.118 flat angles C4'-P-C4' energy: -63.815 flat angles P-C4'-P energy: -31.130 tors. eta vs tors. theta energy: -29.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -482.920949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.920949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.920949 (E_RNA) where: Base-Base interactions energy: -246.466 where: short stacking energy: -130.564 Base-Backbone interact. energy: 0.121 local terms energy: -236.576438 where: bonds (distance) C4'-P energy: -66.179 bonds (distance) P-C4' energy: -55.562 flat angles C4'-P-C4' energy: -54.183 flat angles P-C4'-P energy: -41.725 tors. eta vs tors. theta energy: -18.927 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: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -484.399228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.399228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.399228 (E_RNA) where: Base-Base interactions energy: -265.176 where: short stacking energy: -123.299 Base-Backbone interact. energy: -0.319 local terms energy: -218.904468 where: bonds (distance) C4'-P energy: -62.931 bonds (distance) P-C4' energy: -43.564 flat angles C4'-P-C4' energy: -61.327 flat angles P-C4'-P energy: -39.863 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: 3 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -245.082094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.082094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.082094 (E_RNA) where: Base-Base interactions energy: -61.003 where: short stacking energy: -44.823 Base-Backbone interact. energy: 0.825 local terms energy: -184.904240 where: bonds (distance) C4'-P energy: -49.736 bonds (distance) P-C4' energy: -64.075 flat angles C4'-P-C4' energy: -53.267 flat angles P-C4'-P energy: -33.174 tors. eta vs tors. theta energy: 15.347 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: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1052.324325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.324325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.324325 (E_RNA) where: Base-Base interactions energy: -715.979 where: short stacking energy: -310.578 Base-Backbone interact. energy: -1.496 local terms energy: -334.849518 where: bonds (distance) C4'-P energy: -53.442 bonds (distance) P-C4' energy: -70.972 flat angles C4'-P-C4' energy: -73.511 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: -86.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -995.195606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.195606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.195606 (E_RNA) where: Base-Base interactions energy: -665.950 where: short stacking energy: -307.132 Base-Backbone interact. energy: -1.651 local terms energy: -327.595314 where: bonds (distance) C4'-P energy: -64.203 bonds (distance) P-C4' energy: -64.686 flat angles C4'-P-C4' energy: -70.937 flat angles P-C4'-P energy: -41.844 tors. eta vs tors. theta energy: -85.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -942.764394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.764394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.764394 (E_RNA) where: Base-Base interactions energy: -641.370 where: short stacking energy: -290.154 Base-Backbone interact. energy: -3.715 local terms energy: -297.679581 where: bonds (distance) C4'-P energy: -50.642 bonds (distance) P-C4' energy: -51.538 flat angles C4'-P-C4' energy: -67.100 flat angles P-C4'-P energy: -40.686 tors. eta vs tors. theta energy: -87.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -888.203985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.203985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.203985 (E_RNA) where: Base-Base interactions energy: -591.066 where: short stacking energy: -249.193 Base-Backbone interact. energy: 1.968 local terms energy: -299.105264 where: bonds (distance) C4'-P energy: -53.801 bonds (distance) P-C4' energy: -67.054 flat angles C4'-P-C4' energy: -63.446 flat angles P-C4'-P energy: -42.303 tors. eta vs tors. theta energy: -72.501 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: 5, replica: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -795.621001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.621001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.621001 (E_RNA) where: Base-Base interactions energy: -520.023 where: short stacking energy: -232.581 Base-Backbone interact. energy: 0.183 local terms energy: -275.781051 where: bonds (distance) C4'-P energy: -49.399 bonds (distance) P-C4' energy: -49.200 flat angles C4'-P-C4' energy: -60.586 flat angles P-C4'-P energy: -47.843 tors. eta vs tors. theta energy: -68.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -747.301668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.301668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.301668 (E_RNA) where: Base-Base interactions energy: -500.720 where: short stacking energy: -219.842 Base-Backbone interact. energy: 1.684 local terms energy: -248.266421 where: bonds (distance) C4'-P energy: -48.332 bonds (distance) P-C4' energy: -56.266 flat angles C4'-P-C4' energy: -56.278 flat angles P-C4'-P energy: -34.791 tors. eta vs tors. theta energy: -52.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -528.050353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.050353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.050353 (E_RNA) where: Base-Base interactions energy: -315.689 where: short stacking energy: -156.792 Base-Backbone interact. energy: -0.867 local terms energy: -211.494751 where: bonds (distance) C4'-P energy: -46.718 bonds (distance) P-C4' energy: -60.679 flat angles C4'-P-C4' energy: -51.679 flat angles P-C4'-P energy: -25.932 tors. eta vs tors. theta energy: -26.487 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: 8, replica: 4 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -550.614334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.614334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.614334 (E_RNA) where: Base-Base interactions energy: -315.381 where: short stacking energy: -166.677 Base-Backbone interact. energy: -1.049 local terms energy: -234.183921 where: bonds (distance) C4'-P energy: -50.211 bonds (distance) P-C4' energy: -62.219 flat angles C4'-P-C4' energy: -54.616 flat angles P-C4'-P energy: -31.485 tors. eta vs tors. theta energy: -35.653 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: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -462.881263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.881263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.881263 (E_RNA) where: Base-Base interactions energy: -255.385 where: short stacking energy: -142.892 Base-Backbone interact. energy: 0.748 local terms energy: -208.243926 where: bonds (distance) C4'-P energy: -50.986 bonds (distance) P-C4' energy: -50.399 flat angles C4'-P-C4' energy: -48.845 flat angles P-C4'-P energy: -30.529 tors. eta vs tors. theta energy: -27.486 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: 3 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -272.239546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.239546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.239546 (E_RNA) where: Base-Base interactions energy: -100.631 where: short stacking energy: -70.743 Base-Backbone interact. energy: -1.467 local terms energy: -170.141638 where: bonds (distance) C4'-P energy: -40.651 bonds (distance) P-C4' energy: -59.258 flat angles C4'-P-C4' energy: -53.841 flat angles P-C4'-P energy: -22.491 tors. eta vs tors. theta energy: 6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1043.732026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.732026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.732026 (E_RNA) where: Base-Base interactions energy: -704.336 where: short stacking energy: -311.186 Base-Backbone interact. energy: -3.162 local terms energy: -336.234475 where: bonds (distance) C4'-P energy: -66.838 bonds (distance) P-C4' energy: -66.984 flat angles C4'-P-C4' energy: -72.149 flat angles P-C4'-P energy: -42.540 tors. eta vs tors. theta energy: -87.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -990.107983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.107983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.107983 (E_RNA) where: Base-Base interactions energy: -669.476 where: short stacking energy: -288.659 Base-Backbone interact. energy: -1.670 local terms energy: -318.961919 where: bonds (distance) C4'-P energy: -67.808 bonds (distance) P-C4' energy: -69.643 flat angles C4'-P-C4' energy: -62.687 flat angles P-C4'-P energy: -38.551 tors. eta vs tors. theta energy: -80.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -903.949658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.949658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.949658 (E_RNA) where: Base-Base interactions energy: -609.457 where: short stacking energy: -262.866 Base-Backbone interact. energy: -2.542 local terms energy: -291.950641 where: bonds (distance) C4'-P energy: -42.620 bonds (distance) P-C4' energy: -67.261 flat angles C4'-P-C4' energy: -62.457 flat angles P-C4'-P energy: -38.492 tors. eta vs tors. theta energy: -81.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -898.261560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.261560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.261560 (E_RNA) where: Base-Base interactions energy: -612.207 where: short stacking energy: -265.008 Base-Backbone interact. energy: -1.434 local terms energy: -284.620510 where: bonds (distance) C4'-P energy: -54.270 bonds (distance) P-C4' energy: -54.780 flat angles C4'-P-C4' energy: -57.519 flat angles P-C4'-P energy: -36.369 tors. eta vs tors. theta energy: -81.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -786.526002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.526002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.526002 (E_RNA) where: Base-Base interactions energy: -526.170 where: short stacking energy: -218.734 Base-Backbone interact. energy: -0.433 local terms energy: -259.923091 where: bonds (distance) C4'-P energy: -56.452 bonds (distance) P-C4' energy: -55.583 flat angles C4'-P-C4' energy: -57.392 flat angles P-C4'-P energy: -29.097 tors. eta vs tors. theta energy: -61.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -736.446530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.446530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.446530 (E_RNA) where: Base-Base interactions energy: -472.121 where: short stacking energy: -196.445 Base-Backbone interact. energy: -0.883 local terms energy: -263.441830 where: bonds (distance) C4'-P energy: -50.863 bonds (distance) P-C4' energy: -53.769 flat angles C4'-P-C4' energy: -53.132 flat angles P-C4'-P energy: -37.346 tors. eta vs tors. theta energy: -68.332 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: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -560.969673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.969673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.969673 (E_RNA) where: Base-Base interactions energy: -352.758 where: short stacking energy: -141.628 Base-Backbone interact. energy: -3.304 local terms energy: -204.908096 where: bonds (distance) C4'-P energy: -56.519 bonds (distance) P-C4' energy: -45.427 flat angles C4'-P-C4' energy: -49.356 flat angles P-C4'-P energy: -35.444 tors. eta vs tors. theta energy: -18.162 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: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -500.025191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.025191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.025191 (E_RNA) where: Base-Base interactions energy: -270.803 where: short stacking energy: -126.523 Base-Backbone interact. energy: 1.858 local terms energy: -231.079445 where: bonds (distance) C4'-P energy: -56.330 bonds (distance) P-C4' energy: -66.236 flat angles C4'-P-C4' energy: -59.110 flat angles P-C4'-P energy: -28.414 tors. eta vs tors. theta energy: -20.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -452.912134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.912134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.912134 (E_RNA) where: Base-Base interactions energy: -229.774 where: short stacking energy: -119.999 Base-Backbone interact. energy: 0.406 local terms energy: -223.544267 where: bonds (distance) C4'-P energy: -53.585 bonds (distance) P-C4' energy: -55.481 flat angles C4'-P-C4' energy: -50.023 flat angles P-C4'-P energy: -39.777 tors. eta vs tors. theta energy: -24.679 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: 3 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -249.791694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.791694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.791694 (E_RNA) where: Base-Base interactions energy: -75.376 where: short stacking energy: -59.362 Base-Backbone interact. energy: -0.503 local terms energy: -173.913226 where: bonds (distance) C4'-P energy: -64.706 bonds (distance) P-C4' energy: -60.036 flat angles C4'-P-C4' energy: -34.261 flat angles P-C4'-P energy: -32.130 tors. eta vs tors. theta energy: 17.220 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: 121 Temperature: 0.900000 Total energy: -1063.043163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.043163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.043163 (E_RNA) where: Base-Base interactions energy: -713.697 where: short stacking energy: -289.809 Base-Backbone interact. energy: -2.469 local terms energy: -346.877448 where: bonds (distance) C4'-P energy: -66.586 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -73.669 flat angles P-C4'-P energy: -55.337 tors. eta vs tors. theta energy: -87.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -935.554382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.554382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.554382 (E_RNA) where: Base-Base interactions energy: -610.869 where: short stacking energy: -267.814 Base-Backbone interact. energy: -2.656 local terms energy: -322.029760 where: bonds (distance) C4'-P energy: -65.732 bonds (distance) P-C4' energy: -67.269 flat angles C4'-P-C4' energy: -64.077 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: -82.682 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: 1 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -950.387235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.387235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.387235 (E_RNA) where: Base-Base interactions energy: -622.026 where: short stacking energy: -272.636 Base-Backbone interact. energy: -2.802 local terms energy: -325.558324 where: bonds (distance) C4'-P energy: -60.457 bonds (distance) P-C4' energy: -67.740 flat angles C4'-P-C4' energy: -70.179 flat angles P-C4'-P energy: -47.523 tors. eta vs tors. theta energy: -79.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -905.706094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.706094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.706094 (E_RNA) where: Base-Base interactions energy: -626.645 where: short stacking energy: -252.676 Base-Backbone interact. energy: 0.259 local terms energy: -279.320222 where: bonds (distance) C4'-P energy: -52.790 bonds (distance) P-C4' energy: -59.004 flat angles C4'-P-C4' energy: -55.800 flat angles P-C4'-P energy: -43.051 tors. eta vs tors. theta energy: -68.675 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: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -794.907570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.907570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.907570 (E_RNA) where: Base-Base interactions energy: -520.100 where: short stacking energy: -218.503 Base-Backbone interact. energy: -3.072 local terms energy: -271.735176 where: bonds (distance) C4'-P energy: -54.100 bonds (distance) P-C4' energy: -50.087 flat angles C4'-P-C4' energy: -69.780 flat angles P-C4'-P energy: -38.600 tors. eta vs tors. theta energy: -59.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -699.302129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.302129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.302129 (E_RNA) where: Base-Base interactions energy: -418.122 where: short stacking energy: -191.686 Base-Backbone interact. energy: 2.439 local terms energy: -283.619276 where: bonds (distance) C4'-P energy: -64.883 bonds (distance) P-C4' energy: -53.558 flat angles C4'-P-C4' energy: -66.696 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -59.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -504.123626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.123626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.123626 (E_RNA) where: Base-Base interactions energy: -288.575 where: short stacking energy: -169.942 Base-Backbone interact. energy: -0.166 local terms energy: -215.382373 where: bonds (distance) C4'-P energy: -43.991 bonds (distance) P-C4' energy: -63.881 flat angles C4'-P-C4' energy: -49.260 flat angles P-C4'-P energy: -30.210 tors. eta vs tors. theta energy: -28.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -538.368892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.368892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.368892 (E_RNA) where: Base-Base interactions energy: -312.412 where: short stacking energy: -145.028 Base-Backbone interact. energy: 0.034 local terms energy: -225.990448 where: bonds (distance) C4'-P energy: -52.909 bonds (distance) P-C4' energy: -64.158 flat angles C4'-P-C4' energy: -42.856 flat angles P-C4'-P energy: -34.420 tors. eta vs tors. theta energy: -31.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -446.017624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.017624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.017624 (E_RNA) where: Base-Base interactions energy: -236.142 where: short stacking energy: -132.975 Base-Backbone interact. energy: 0.469 local terms energy: -210.344531 where: bonds (distance) C4'-P energy: -63.903 bonds (distance) P-C4' energy: -54.394 flat angles C4'-P-C4' energy: -48.793 flat angles P-C4'-P energy: -33.201 tors. eta vs tors. theta energy: -10.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -259.862032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.862032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.862032 (E_RNA) where: Base-Base interactions energy: -99.057 where: short stacking energy: -83.604 Base-Backbone interact. energy: -3.356 local terms energy: -157.448809 where: bonds (distance) C4'-P energy: -51.925 bonds (distance) P-C4' energy: -57.430 flat angles C4'-P-C4' energy: -38.278 flat angles P-C4'-P energy: -21.223 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: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1054.421525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.421525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.421525 (E_RNA) where: Base-Base interactions energy: -714.094 where: short stacking energy: -301.206 Base-Backbone interact. energy: -2.119 local terms energy: -338.208653 where: bonds (distance) C4'-P energy: -63.722 bonds (distance) P-C4' energy: -65.054 flat angles C4'-P-C4' energy: -74.957 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: -87.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -935.369997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.369997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.369997 (E_RNA) where: Base-Base interactions energy: -633.015 where: short stacking energy: -253.579 Base-Backbone interact. energy: 0.764 local terms energy: -303.118826 where: bonds (distance) C4'-P energy: -59.123 bonds (distance) P-C4' energy: -61.631 flat angles C4'-P-C4' energy: -63.061 flat angles P-C4'-P energy: -42.743 tors. eta vs tors. theta energy: -76.561 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: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -967.600291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.600291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.600291 (E_RNA) where: Base-Base interactions energy: -651.914 where: short stacking energy: -287.606 Base-Backbone interact. energy: -0.194 local terms energy: -315.492715 where: bonds (distance) C4'-P energy: -59.721 bonds (distance) P-C4' energy: -62.452 flat angles C4'-P-C4' energy: -64.033 flat angles P-C4'-P energy: -44.228 tors. eta vs tors. theta energy: -85.058 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: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -920.348860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.348860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.348860 (E_RNA) where: Base-Base interactions energy: -616.735 where: short stacking energy: -260.365 Base-Backbone interact. energy: -1.417 local terms energy: -302.196898 where: bonds (distance) C4'-P energy: -59.638 bonds (distance) P-C4' energy: -69.007 flat angles C4'-P-C4' energy: -64.770 flat angles P-C4'-P energy: -36.176 tors. eta vs tors. theta energy: -72.606 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: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -796.241804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.241804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.241804 (E_RNA) where: Base-Base interactions energy: -512.695 where: short stacking energy: -215.407 Base-Backbone interact. energy: -0.116 local terms energy: -283.430494 where: bonds (distance) C4'-P energy: -59.501 bonds (distance) P-C4' energy: -68.279 flat angles C4'-P-C4' energy: -66.992 flat angles P-C4'-P energy: -35.617 tors. eta vs tors. theta energy: -53.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -715.038051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.038051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.038051 (E_RNA) where: Base-Base interactions energy: -467.678 where: short stacking energy: -195.601 Base-Backbone interact. energy: 0.383 local terms energy: -247.742930 where: bonds (distance) C4'-P energy: -50.159 bonds (distance) P-C4' energy: -59.508 flat angles C4'-P-C4' energy: -52.404 flat angles P-C4'-P energy: -45.382 tors. eta vs tors. theta energy: -40.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -532.603859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.603859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.603859 (E_RNA) where: Base-Base interactions energy: -309.016 where: short stacking energy: -162.730 Base-Backbone interact. energy: 1.870 local terms energy: -225.458050 where: bonds (distance) C4'-P energy: -62.530 bonds (distance) P-C4' energy: -44.053 flat angles C4'-P-C4' energy: -50.055 flat angles P-C4'-P energy: -37.584 tors. eta vs tors. theta energy: -31.237 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: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -498.703886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.703886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.703886 (E_RNA) where: Base-Base interactions energy: -288.474 where: short stacking energy: -144.555 Base-Backbone interact. energy: -0.610 local terms energy: -209.619259 where: bonds (distance) C4'-P energy: -42.749 bonds (distance) P-C4' energy: -57.919 flat angles C4'-P-C4' energy: -53.020 flat angles P-C4'-P energy: -36.784 tors. eta vs tors. theta energy: -19.147 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: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -474.955364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.955364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.955364 (E_RNA) where: Base-Base interactions energy: -265.252 where: short stacking energy: -140.472 Base-Backbone interact. energy: 0.978 local terms energy: -210.681433 where: bonds (distance) C4'-P energy: -47.749 bonds (distance) P-C4' energy: -57.232 flat angles C4'-P-C4' energy: -40.943 flat angles P-C4'-P energy: -35.173 tors. eta vs tors. theta energy: -29.584 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: 3 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -271.523083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.523083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.523083 (E_RNA) where: Base-Base interactions energy: -97.589 where: short stacking energy: -75.447 Base-Backbone interact. energy: -2.400 local terms energy: -171.533892 where: bonds (distance) C4'-P energy: -51.947 bonds (distance) P-C4' energy: -50.347 flat angles C4'-P-C4' energy: -49.278 flat angles P-C4'-P energy: -24.711 tors. eta vs tors. theta energy: 4.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1053.502933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.502933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.502933 (E_RNA) where: Base-Base interactions energy: -730.348 where: short stacking energy: -299.846 Base-Backbone interact. energy: -0.993 local terms energy: -322.162084 where: bonds (distance) C4'-P energy: -53.701 bonds (distance) P-C4' energy: -68.332 flat angles C4'-P-C4' energy: -76.994 flat angles P-C4'-P energy: -31.825 tors. eta vs tors. theta energy: -91.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -994.561679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.561679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.561679 (E_RNA) where: Base-Base interactions energy: -657.251 where: short stacking energy: -273.731 Base-Backbone interact. energy: -0.939 local terms energy: -336.370908 where: bonds (distance) C4'-P energy: -58.568 bonds (distance) P-C4' energy: -66.760 flat angles C4'-P-C4' energy: -74.788 flat angles P-C4'-P energy: -45.977 tors. eta vs tors. theta energy: -90.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -923.993687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.993687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.993687 (E_RNA) where: Base-Base interactions energy: -617.682 where: short stacking energy: -276.980 Base-Backbone interact. energy: -0.990 local terms energy: -305.321494 where: bonds (distance) C4'-P energy: -51.344 bonds (distance) P-C4' energy: -61.183 flat angles C4'-P-C4' energy: -64.741 flat angles P-C4'-P energy: -41.219 tors. eta vs tors. theta energy: -86.835 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: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -929.218981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.218981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.218981 (E_RNA) where: Base-Base interactions energy: -612.801 where: short stacking energy: -261.109 Base-Backbone interact. energy: -0.795 local terms energy: -315.623603 where: bonds (distance) C4'-P energy: -64.200 bonds (distance) P-C4' energy: -59.556 flat angles C4'-P-C4' energy: -72.162 flat angles P-C4'-P energy: -38.358 tors. eta vs tors. theta energy: -81.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -802.441558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.441558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.441558 (E_RNA) where: Base-Base interactions energy: -516.028 where: short stacking energy: -231.117 Base-Backbone interact. energy: -1.171 local terms energy: -285.242175 where: bonds (distance) C4'-P energy: -52.581 bonds (distance) P-C4' energy: -50.177 flat angles C4'-P-C4' energy: -65.123 flat angles P-C4'-P energy: -48.288 tors. eta vs tors. theta energy: -69.074 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: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -798.939171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.939171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.939171 (E_RNA) where: Base-Base interactions energy: -536.100 where: short stacking energy: -244.747 Base-Backbone interact. energy: 3.173 local terms energy: -266.011529 where: bonds (distance) C4'-P energy: -53.205 bonds (distance) P-C4' energy: -53.170 flat angles C4'-P-C4' energy: -59.987 flat angles P-C4'-P energy: -38.755 tors. eta vs tors. theta energy: -60.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -521.021410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.021410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.021410 (E_RNA) where: Base-Base interactions energy: -299.252 where: short stacking energy: -136.299 Base-Backbone interact. energy: 2.694 local terms energy: -224.463357 where: bonds (distance) C4'-P energy: -60.511 bonds (distance) P-C4' energy: -56.776 flat angles C4'-P-C4' energy: -54.099 flat angles P-C4'-P energy: -31.224 tors. eta vs tors. theta energy: -21.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -487.334391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.334391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.334391 (E_RNA) where: Base-Base interactions energy: -276.795 where: short stacking energy: -129.317 Base-Backbone interact. energy: -0.591 local terms energy: -209.948430 where: bonds (distance) C4'-P energy: -50.040 bonds (distance) P-C4' energy: -64.016 flat angles C4'-P-C4' energy: -49.834 flat angles P-C4'-P energy: -30.865 tors. eta vs tors. theta energy: -15.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -495.053413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.053413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.053413 (E_RNA) where: Base-Base interactions energy: -278.064 where: short stacking energy: -120.455 Base-Backbone interact. energy: 0.134 local terms energy: -217.123533 where: bonds (distance) C4'-P energy: -46.370 bonds (distance) P-C4' energy: -55.061 flat angles C4'-P-C4' energy: -52.487 flat angles P-C4'-P energy: -39.441 tors. eta vs tors. theta energy: -23.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -263.666644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.666644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.666644 (E_RNA) where: Base-Base interactions energy: -88.227 where: short stacking energy: -74.874 Base-Backbone interact. energy: 8.453 local terms energy: -183.892163 where: bonds (distance) C4'-P energy: -55.993 bonds (distance) P-C4' energy: -49.418 flat angles C4'-P-C4' energy: -49.320 flat angles P-C4'-P energy: -33.935 tors. eta vs tors. theta energy: 4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1047.262326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.262326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.262326 (E_RNA) where: Base-Base interactions energy: -705.978 where: short stacking energy: -290.299 Base-Backbone interact. energy: -1.213 local terms energy: -340.071792 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -66.477 flat angles C4'-P-C4' energy: -80.418 flat angles P-C4'-P energy: -53.306 tors. eta vs tors. theta energy: -82.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1029.209432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.209432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.209432 (E_RNA) where: Base-Base interactions energy: -689.681 where: short stacking energy: -300.630 Base-Backbone interact. energy: 0.121 local terms energy: -339.649662 where: bonds (distance) C4'-P energy: -56.173 bonds (distance) P-C4' energy: -70.362 flat angles C4'-P-C4' energy: -68.477 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -94.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -922.137852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.137852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.137852 (E_RNA) where: Base-Base interactions energy: -620.856 where: short stacking energy: -267.739 Base-Backbone interact. energy: -1.087 local terms energy: -300.195040 where: bonds (distance) C4'-P energy: -51.194 bonds (distance) P-C4' energy: -56.858 flat angles C4'-P-C4' energy: -61.946 flat angles P-C4'-P energy: -46.533 tors. eta vs tors. theta energy: -83.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -894.134585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.134585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.134585 (E_RNA) where: Base-Base interactions energy: -604.299 where: short stacking energy: -260.634 Base-Backbone interact. energy: 0.990 local terms energy: -290.825315 where: bonds (distance) C4'-P energy: -54.956 bonds (distance) P-C4' energy: -57.315 flat angles C4'-P-C4' energy: -63.516 flat angles P-C4'-P energy: -34.386 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: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -811.243045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.243045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.243045 (E_RNA) where: Base-Base interactions energy: -530.502 where: short stacking energy: -238.196 Base-Backbone interact. energy: -0.630 local terms energy: -280.111491 where: bonds (distance) C4'-P energy: -55.658 bonds (distance) P-C4' energy: -59.273 flat angles C4'-P-C4' energy: -54.386 flat angles P-C4'-P energy: -32.240 tors. eta vs tors. theta energy: -78.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -809.153581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.153581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.153581 (E_RNA) where: Base-Base interactions energy: -511.193 where: short stacking energy: -222.934 Base-Backbone interact. energy: -2.365 local terms energy: -295.595775 where: bonds (distance) C4'-P energy: -62.208 bonds (distance) P-C4' energy: -59.691 flat angles C4'-P-C4' energy: -61.846 flat angles P-C4'-P energy: -40.415 tors. eta vs tors. theta energy: -71.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -573.100384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.100384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.100384 (E_RNA) where: Base-Base interactions energy: -345.349 where: short stacking energy: -167.314 Base-Backbone interact. energy: 3.229 local terms energy: -230.979761 where: bonds (distance) C4'-P energy: -53.705 bonds (distance) P-C4' energy: -57.423 flat angles C4'-P-C4' energy: -47.058 flat angles P-C4'-P energy: -27.975 tors. eta vs tors. theta energy: -44.819 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: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -518.837325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.837325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.837325 (E_RNA) where: Base-Base interactions energy: -288.270 where: short stacking energy: -126.459 Base-Backbone interact. energy: -0.104 local terms energy: -230.462960 where: bonds (distance) C4'-P energy: -57.622 bonds (distance) P-C4' energy: -60.686 flat angles C4'-P-C4' energy: -57.915 flat angles P-C4'-P energy: -27.916 tors. eta vs tors. theta energy: -26.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -468.991268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.991268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.991268 (E_RNA) where: Base-Base interactions energy: -260.975 where: short stacking energy: -132.476 Base-Backbone interact. energy: -0.571 local terms energy: -207.445061 where: bonds (distance) C4'-P energy: -49.290 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -40.410 flat angles P-C4'-P energy: -35.909 tors. eta vs tors. theta energy: -19.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -250.490142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.490142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.490142 (E_RNA) where: Base-Base interactions energy: -95.085 where: short stacking energy: -74.805 Base-Backbone interact. energy: 2.511 local terms energy: -157.915969 where: bonds (distance) C4'-P energy: -45.021 bonds (distance) P-C4' energy: -52.640 flat angles C4'-P-C4' energy: -44.157 flat angles P-C4'-P energy: -22.114 tors. eta vs tors. theta energy: 6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1068.445595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.445595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.445595 (E_RNA) where: Base-Base interactions energy: -731.177 where: short stacking energy: -294.919 Base-Backbone interact. energy: -3.632 local terms energy: -333.636652 where: bonds (distance) C4'-P energy: -64.409 bonds (distance) P-C4' energy: -61.030 flat angles C4'-P-C4' energy: -71.668 flat angles P-C4'-P energy: -47.342 tors. eta vs tors. theta energy: -89.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1001.806067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.806067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.806067 (E_RNA) where: Base-Base interactions energy: -679.025 where: short stacking energy: -299.239 Base-Backbone interact. energy: 0.920 local terms energy: -323.700286 where: bonds (distance) C4'-P energy: -53.111 bonds (distance) P-C4' energy: -66.450 flat angles C4'-P-C4' energy: -67.773 flat angles P-C4'-P energy: -45.758 tors. eta vs tors. theta energy: -90.608 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: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -962.424685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.424685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.424685 (E_RNA) where: Base-Base interactions energy: -629.950 where: short stacking energy: -288.316 Base-Backbone interact. energy: -2.898 local terms energy: -329.576977 where: bonds (distance) C4'-P energy: -54.325 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -66.981 flat angles P-C4'-P energy: -58.539 tors. eta vs tors. theta energy: -80.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -876.751309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.751309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.751309 (E_RNA) where: Base-Base interactions energy: -576.485 where: short stacking energy: -254.307 Base-Backbone interact. energy: -0.524 local terms energy: -299.742727 where: bonds (distance) C4'-P energy: -59.792 bonds (distance) P-C4' energy: -68.242 flat angles C4'-P-C4' energy: -61.115 flat angles P-C4'-P energy: -33.642 tors. eta vs tors. theta energy: -76.951 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: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -810.086373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.086373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.086373 (E_RNA) where: Base-Base interactions energy: -526.971 where: short stacking energy: -229.722 Base-Backbone interact. energy: -0.343 local terms energy: -282.772343 where: bonds (distance) C4'-P energy: -64.478 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -47.800 flat angles P-C4'-P energy: -43.805 tors. eta vs tors. theta energy: -64.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -794.717228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.717228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.717228 (E_RNA) where: Base-Base interactions energy: -520.727 where: short stacking energy: -230.500 Base-Backbone interact. energy: -0.515 local terms energy: -273.474716 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -55.083 flat angles C4'-P-C4' energy: -56.626 flat angles P-C4'-P energy: -34.649 tors. eta vs tors. theta energy: -64.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -600.089577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.089577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.089577 (E_RNA) where: Base-Base interactions energy: -362.964 where: short stacking energy: -173.829 Base-Backbone interact. energy: -0.902 local terms energy: -236.223828 where: bonds (distance) C4'-P energy: -56.641 bonds (distance) P-C4' energy: -57.137 flat angles C4'-P-C4' energy: -52.617 flat angles P-C4'-P energy: -23.934 tors. eta vs tors. theta energy: -45.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -462.067996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.067996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.067996 (E_RNA) where: Base-Base interactions energy: -247.025 where: short stacking energy: -112.065 Base-Backbone interact. energy: -1.529 local terms energy: -213.513913 where: bonds (distance) C4'-P energy: -52.580 bonds (distance) P-C4' energy: -55.641 flat angles C4'-P-C4' energy: -54.782 flat angles P-C4'-P energy: -33.273 tors. eta vs tors. theta energy: -17.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -490.656618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.656618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.656618 (E_RNA) where: Base-Base interactions energy: -289.398 where: short stacking energy: -152.184 Base-Backbone interact. energy: -0.255 local terms energy: -201.003443 where: bonds (distance) C4'-P energy: -47.248 bonds (distance) P-C4' energy: -53.209 flat angles C4'-P-C4' energy: -48.939 flat angles P-C4'-P energy: -29.878 tors. eta vs tors. theta energy: -21.729 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: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -266.471648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.471648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.471648 (E_RNA) where: Base-Base interactions energy: -104.140 where: short stacking energy: -76.490 Base-Backbone interact. energy: -1.085 local terms energy: -161.246873 where: bonds (distance) C4'-P energy: -34.717 bonds (distance) P-C4' energy: -44.992 flat angles C4'-P-C4' energy: -55.106 flat angles P-C4'-P energy: -20.665 tors. eta vs tors. theta energy: -5.768 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: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1056.019670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.019670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.019670 (E_RNA) where: Base-Base interactions energy: -726.968 where: short stacking energy: -287.811 Base-Backbone interact. energy: -3.272 local terms energy: -325.779893 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -62.272 flat angles C4'-P-C4' energy: -74.663 flat angles P-C4'-P energy: -47.169 tors. eta vs tors. theta energy: -87.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1024.683651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.683651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.683651 (E_RNA) where: Base-Base interactions energy: -703.690 where: short stacking energy: -284.215 Base-Backbone interact. energy: 0.946 local terms energy: -321.938740 where: bonds (distance) C4'-P energy: -60.651 bonds (distance) P-C4' energy: -59.491 flat angles C4'-P-C4' energy: -67.598 flat angles P-C4'-P energy: -53.102 tors. eta vs tors. theta energy: -81.097 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: 3, replica: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -933.928454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.928454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.928454 (E_RNA) where: Base-Base interactions energy: -619.252 where: short stacking energy: -281.635 Base-Backbone interact. energy: -0.105 local terms energy: -314.571994 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -70.564 flat angles C4'-P-C4' energy: -68.641 flat angles P-C4'-P energy: -38.106 tors. eta vs tors. theta energy: -77.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -881.649829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.649829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.649829 (E_RNA) where: Base-Base interactions energy: -597.480 where: short stacking energy: -257.416 Base-Backbone interact. energy: -0.635 local terms energy: -283.535190 where: bonds (distance) C4'-P energy: -51.135 bonds (distance) P-C4' energy: -46.326 flat angles C4'-P-C4' energy: -62.678 flat angles P-C4'-P energy: -45.408 tors. eta vs tors. theta energy: -77.988 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: 7 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -833.209807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.209807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.209807 (E_RNA) where: Base-Base interactions energy: -539.519 where: short stacking energy: -231.130 Base-Backbone interact. energy: -0.570 local terms energy: -293.121056 where: bonds (distance) C4'-P energy: -60.763 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -64.856 flat angles P-C4'-P energy: -38.687 tors. eta vs tors. theta energy: -71.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -783.375217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.375217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.375217 (E_RNA) where: Base-Base interactions energy: -512.038 where: short stacking energy: -216.848 Base-Backbone interact. energy: -0.423 local terms energy: -270.914026 where: bonds (distance) C4'-P energy: -52.734 bonds (distance) P-C4' energy: -58.826 flat angles C4'-P-C4' energy: -57.269 flat angles P-C4'-P energy: -43.265 tors. eta vs tors. theta energy: -58.820 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: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -546.100073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.100073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.100073 (E_RNA) where: Base-Base interactions energy: -326.762 where: short stacking energy: -128.621 Base-Backbone interact. energy: 0.669 local terms energy: -220.006315 where: bonds (distance) C4'-P energy: -53.193 bonds (distance) P-C4' energy: -54.565 flat angles C4'-P-C4' energy: -56.630 flat angles P-C4'-P energy: -38.591 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: 8, replica: 9 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -540.358309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.358309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.358309 (E_RNA) where: Base-Base interactions energy: -305.894 where: short stacking energy: -163.709 Base-Backbone interact. energy: -1.307 local terms energy: -233.157719 where: bonds (distance) C4'-P energy: -57.727 bonds (distance) P-C4' energy: -59.271 flat angles C4'-P-C4' energy: -50.175 flat angles P-C4'-P energy: -33.472 tors. eta vs tors. theta energy: -32.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -458.004582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.004582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.004582 (E_RNA) where: Base-Base interactions energy: -262.344 where: short stacking energy: -123.025 Base-Backbone interact. energy: 6.483 local terms energy: -202.143897 where: bonds (distance) C4'-P energy: -51.217 bonds (distance) P-C4' energy: -54.558 flat angles C4'-P-C4' energy: -55.114 flat angles P-C4'-P energy: -28.051 tors. eta vs tors. theta energy: -13.205 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: 3 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -254.594282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.594282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.594282 (E_RNA) where: Base-Base interactions energy: -83.186 where: short stacking energy: -65.805 Base-Backbone interact. energy: -0.382 local terms energy: -171.026562 where: bonds (distance) C4'-P energy: -55.837 bonds (distance) P-C4' energy: -48.629 flat angles C4'-P-C4' energy: -48.850 flat angles P-C4'-P energy: -23.209 tors. eta vs tors. theta energy: 5.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1043.084958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.084958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.084958 (E_RNA) where: Base-Base interactions energy: -722.959 where: short stacking energy: -291.681 Base-Backbone interact. energy: -0.945 local terms energy: -319.181004 where: bonds (distance) C4'-P energy: -62.420 bonds (distance) P-C4' energy: -61.333 flat angles C4'-P-C4' energy: -67.975 flat angles P-C4'-P energy: -47.114 tors. eta vs tors. theta energy: -80.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1023.035169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.035169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.035169 (E_RNA) where: Base-Base interactions energy: -703.530 where: short stacking energy: -283.626 Base-Backbone interact. energy: 0.073 local terms energy: -319.578175 where: bonds (distance) C4'-P energy: -57.544 bonds (distance) P-C4' energy: -60.285 flat angles C4'-P-C4' energy: -71.105 flat angles P-C4'-P energy: -50.804 tors. eta vs tors. theta energy: -79.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -938.838808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.838808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.838808 (E_RNA) where: Base-Base interactions energy: -605.574 where: short stacking energy: -280.911 Base-Backbone interact. energy: -0.972 local terms energy: -332.292690 where: bonds (distance) C4'-P energy: -50.239 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -74.657 flat angles P-C4'-P energy: -50.548 tors. eta vs tors. theta energy: -91.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -870.104913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.104913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.104913 (E_RNA) where: Base-Base interactions energy: -573.727 where: short stacking energy: -223.208 Base-Backbone interact. energy: -0.666 local terms energy: -295.711681 where: bonds (distance) C4'-P energy: -64.456 bonds (distance) P-C4' energy: -57.090 flat angles C4'-P-C4' energy: -61.780 flat angles P-C4'-P energy: -40.566 tors. eta vs tors. theta energy: -71.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -819.864786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.864786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.864786 (E_RNA) where: Base-Base interactions energy: -531.793 where: short stacking energy: -229.562 Base-Backbone interact. energy: -1.382 local terms energy: -286.689671 where: bonds (distance) C4'-P energy: -56.916 bonds (distance) P-C4' energy: -57.892 flat angles C4'-P-C4' energy: -61.197 flat angles P-C4'-P energy: -41.021 tors. eta vs tors. theta energy: -69.664 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: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -738.653895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.653895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.653895 (E_RNA) where: Base-Base interactions energy: -486.521 where: short stacking energy: -212.775 Base-Backbone interact. energy: 0.491 local terms energy: -252.624175 where: bonds (distance) C4'-P energy: -46.254 bonds (distance) P-C4' energy: -68.834 flat angles C4'-P-C4' energy: -49.562 flat angles P-C4'-P energy: -42.489 tors. eta vs tors. theta energy: -45.486 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: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -545.025689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.025689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.025689 (E_RNA) where: Base-Base interactions energy: -327.467 where: short stacking energy: -163.499 Base-Backbone interact. energy: 3.688 local terms energy: -221.246892 where: bonds (distance) C4'-P energy: -57.293 bonds (distance) P-C4' energy: -43.157 flat angles C4'-P-C4' energy: -62.568 flat angles P-C4'-P energy: -29.010 tors. eta vs tors. theta energy: -29.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -520.053440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.053440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.053440 (E_RNA) where: Base-Base interactions energy: -295.756 where: short stacking energy: -141.345 Base-Backbone interact. energy: -0.951 local terms energy: -223.346451 where: bonds (distance) C4'-P energy: -53.039 bonds (distance) P-C4' energy: -53.435 flat angles C4'-P-C4' energy: -62.622 flat angles P-C4'-P energy: -32.197 tors. eta vs tors. theta energy: -22.054 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: 4 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -461.743813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.743813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.743813 (E_RNA) where: Base-Base interactions energy: -250.673 where: short stacking energy: -120.612 Base-Backbone interact. energy: -1.349 local terms energy: -209.721902 where: bonds (distance) C4'-P energy: -44.699 bonds (distance) P-C4' energy: -58.882 flat angles C4'-P-C4' energy: -45.994 flat angles P-C4'-P energy: -43.023 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: 3 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -250.326465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.326465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.326465 (E_RNA) where: Base-Base interactions energy: -90.711 where: short stacking energy: -76.379 Base-Backbone interact. energy: 1.690 local terms energy: -161.305370 where: bonds (distance) C4'-P energy: -48.859 bonds (distance) P-C4' energy: -54.945 flat angles C4'-P-C4' energy: -40.117 flat angles P-C4'-P energy: -26.774 tors. eta vs tors. theta energy: 9.389 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: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1049.898974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.898974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.898974 (E_RNA) where: Base-Base interactions energy: -720.806 where: short stacking energy: -310.702 Base-Backbone interact. energy: -2.876 local terms energy: -326.217064 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -59.316 flat angles C4'-P-C4' energy: -66.289 flat angles P-C4'-P energy: -47.014 tors. eta vs tors. theta energy: -88.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1006.005874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.005874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.005874 (E_RNA) where: Base-Base interactions energy: -693.384 where: short stacking energy: -265.159 Base-Backbone interact. energy: -2.773 local terms energy: -309.849113 where: bonds (distance) C4'-P energy: -58.749 bonds (distance) P-C4' energy: -74.100 flat angles C4'-P-C4' energy: -60.219 flat angles P-C4'-P energy: -36.661 tors. eta vs tors. theta energy: -80.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -942.270529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.270529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.270529 (E_RNA) where: Base-Base interactions energy: -621.017 where: short stacking energy: -272.335 Base-Backbone interact. energy: -1.157 local terms energy: -320.096820 where: bonds (distance) C4'-P energy: -58.497 bonds (distance) P-C4' energy: -60.732 flat angles C4'-P-C4' energy: -73.231 flat angles P-C4'-P energy: -41.369 tors. eta vs tors. theta energy: -86.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -895.847830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.847830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.847830 (E_RNA) where: Base-Base interactions energy: -601.699 where: short stacking energy: -256.996 Base-Backbone interact. energy: -1.740 local terms energy: -292.409297 where: bonds (distance) C4'-P energy: -54.731 bonds (distance) P-C4' energy: -56.002 flat angles C4'-P-C4' energy: -59.797 flat angles P-C4'-P energy: -39.052 tors. eta vs tors. theta energy: -82.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -855.955822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.955822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.955822 (E_RNA) where: Base-Base interactions energy: -558.238 where: short stacking energy: -272.241 Base-Backbone interact. energy: -1.796 local terms energy: -295.921493 where: bonds (distance) C4'-P energy: -62.518 bonds (distance) P-C4' energy: -59.417 flat angles C4'-P-C4' energy: -57.598 flat angles P-C4'-P energy: -42.001 tors. eta vs tors. theta energy: -74.388 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: 10 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -788.010459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.010459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.010459 (E_RNA) where: Base-Base interactions energy: -532.242 where: short stacking energy: -216.681 Base-Backbone interact. energy: -1.854 local terms energy: -253.914773 where: bonds (distance) C4'-P energy: -57.080 bonds (distance) P-C4' energy: -46.961 flat angles C4'-P-C4' energy: -54.214 flat angles P-C4'-P energy: -35.580 tors. eta vs tors. theta energy: -60.081 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: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -529.373429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.373429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.373429 (E_RNA) where: Base-Base interactions energy: -299.770 where: short stacking energy: -145.223 Base-Backbone interact. energy: -1.188 local terms energy: -228.415311 where: bonds (distance) C4'-P energy: -54.497 bonds (distance) P-C4' energy: -62.959 flat angles C4'-P-C4' energy: -55.459 flat angles P-C4'-P energy: -36.401 tors. eta vs tors. theta energy: -19.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -510.202680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.202680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.202680 (E_RNA) where: Base-Base interactions energy: -290.499 where: short stacking energy: -137.758 Base-Backbone interact. energy: -1.738 local terms energy: -217.965240 where: bonds (distance) C4'-P energy: -52.490 bonds (distance) P-C4' energy: -52.104 flat angles C4'-P-C4' energy: -62.378 flat angles P-C4'-P energy: -33.154 tors. eta vs tors. theta energy: -17.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -464.929423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.929423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.929423 (E_RNA) where: Base-Base interactions energy: -246.699 where: short stacking energy: -130.766 Base-Backbone interact. energy: -1.590 local terms energy: -216.639699 where: bonds (distance) C4'-P energy: -46.199 bonds (distance) P-C4' energy: -51.780 flat angles C4'-P-C4' energy: -58.688 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: -18.376 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: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -252.969349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.969349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.969349 (E_RNA) where: Base-Base interactions energy: -83.030 where: short stacking energy: -63.352 Base-Backbone interact. energy: -1.388 local terms energy: -168.551306 where: bonds (distance) C4'-P energy: -50.235 bonds (distance) P-C4' energy: -45.654 flat angles C4'-P-C4' energy: -48.122 flat angles P-C4'-P energy: -32.703 tors. eta vs tors. theta energy: 8.163 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: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1060.729894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.729894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.729894 (E_RNA) where: Base-Base interactions energy: -720.353 where: short stacking energy: -300.988 Base-Backbone interact. energy: -0.594 local terms energy: -339.783403 where: bonds (distance) C4'-P energy: -57.705 bonds (distance) P-C4' energy: -70.650 flat angles C4'-P-C4' energy: -69.087 flat angles P-C4'-P energy: -49.725 tors. eta vs tors. theta energy: -92.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1011.823041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.823041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.823041 (E_RNA) where: Base-Base interactions energy: -709.577 where: short stacking energy: -276.379 Base-Backbone interact. energy: -0.563 local terms energy: -301.683117 where: bonds (distance) C4'-P energy: -59.160 bonds (distance) P-C4' energy: -58.238 flat angles C4'-P-C4' energy: -61.272 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -76.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -965.103755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.103755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.103755 (E_RNA) where: Base-Base interactions energy: -640.347 where: short stacking energy: -293.285 Base-Backbone interact. energy: -1.105 local terms energy: -323.651808 where: bonds (distance) C4'-P energy: -64.588 bonds (distance) P-C4' energy: -62.151 flat angles C4'-P-C4' energy: -62.827 flat angles P-C4'-P energy: -49.808 tors. eta vs tors. theta energy: -84.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -887.042790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.042790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.042790 (E_RNA) where: Base-Base interactions energy: -582.089 where: short stacking energy: -241.518 Base-Backbone interact. energy: 1.012 local terms energy: -305.966163 where: bonds (distance) C4'-P energy: -66.669 bonds (distance) P-C4' energy: -60.604 flat angles C4'-P-C4' energy: -59.798 flat angles P-C4'-P energy: -39.542 tors. eta vs tors. theta energy: -79.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -796.364076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.364076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.364076 (E_RNA) where: Base-Base interactions energy: -523.933 where: short stacking energy: -224.426 Base-Backbone interact. energy: -2.644 local terms energy: -269.787833 where: bonds (distance) C4'-P energy: -58.986 bonds (distance) P-C4' energy: -52.659 flat angles C4'-P-C4' energy: -54.327 flat angles P-C4'-P energy: -36.516 tors. eta vs tors. theta energy: -67.299 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: 10 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -812.815786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.815786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.815786 (E_RNA) where: Base-Base interactions energy: -548.176 where: short stacking energy: -225.572 Base-Backbone interact. energy: 0.260 local terms energy: -264.899534 where: bonds (distance) C4'-P energy: -51.221 bonds (distance) P-C4' energy: -60.187 flat angles C4'-P-C4' energy: -56.606 flat angles P-C4'-P energy: -28.588 tors. eta vs tors. theta energy: -68.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -487.761936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.761936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.761936 (E_RNA) where: Base-Base interactions energy: -260.217 where: short stacking energy: -143.697 Base-Backbone interact. energy: -1.034 local terms energy: -226.510460 where: bonds (distance) C4'-P energy: -54.408 bonds (distance) P-C4' energy: -65.704 flat angles C4'-P-C4' energy: -47.128 flat angles P-C4'-P energy: -35.951 tors. eta vs tors. theta energy: -23.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -494.138855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.138855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.138855 (E_RNA) where: Base-Base interactions energy: -282.461 where: short stacking energy: -140.921 Base-Backbone interact. energy: 1.914 local terms energy: -213.592537 where: bonds (distance) C4'-P energy: -42.739 bonds (distance) P-C4' energy: -54.823 flat angles C4'-P-C4' energy: -54.398 flat angles P-C4'-P energy: -31.616 tors. eta vs tors. theta energy: -30.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -438.300599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.300599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.300599 (E_RNA) where: Base-Base interactions energy: -241.973 where: short stacking energy: -114.972 Base-Backbone interact. energy: -1.528 local terms energy: -194.800009 where: bonds (distance) C4'-P energy: -51.069 bonds (distance) P-C4' energy: -47.389 flat angles C4'-P-C4' energy: -43.093 flat angles P-C4'-P energy: -40.452 tors. eta vs tors. theta energy: -12.796 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: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -280.076373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.076373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.076373 (E_RNA) where: Base-Base interactions energy: -125.820 where: short stacking energy: -92.213 Base-Backbone interact. energy: 0.775 local terms energy: -155.031204 where: bonds (distance) C4'-P energy: -37.174 bonds (distance) P-C4' energy: -54.160 flat angles C4'-P-C4' energy: -39.491 flat angles P-C4'-P energy: -34.290 tors. eta vs tors. theta energy: 10.084 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: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1043.777103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.777103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.777103 (E_RNA) where: Base-Base interactions energy: -717.775 where: short stacking energy: -300.487 Base-Backbone interact. energy: -0.831 local terms energy: -325.171315 where: bonds (distance) C4'-P energy: -63.453 bonds (distance) P-C4' energy: -62.818 flat angles C4'-P-C4' energy: -62.159 flat angles P-C4'-P energy: -50.201 tors. eta vs tors. theta energy: -86.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1038.457125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.457125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.457125 (E_RNA) where: Base-Base interactions energy: -704.981 where: short stacking energy: -279.254 Base-Backbone interact. energy: -1.751 local terms energy: -331.725520 where: bonds (distance) C4'-P energy: -67.452 bonds (distance) P-C4' energy: -56.832 flat angles C4'-P-C4' energy: -72.391 flat angles P-C4'-P energy: -57.089 tors. eta vs tors. theta energy: -77.961 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: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -950.696634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.696634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.696634 (E_RNA) where: Base-Base interactions energy: -624.946 where: short stacking energy: -282.055 Base-Backbone interact. energy: -1.369 local terms energy: -324.381918 where: bonds (distance) C4'-P energy: -59.628 bonds (distance) P-C4' energy: -58.630 flat angles C4'-P-C4' energy: -66.958 flat angles P-C4'-P energy: -43.673 tors. eta vs tors. theta energy: -95.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -882.547838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.547838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.547838 (E_RNA) where: Base-Base interactions energy: -584.380 where: short stacking energy: -251.961 Base-Backbone interact. energy: -0.370 local terms energy: -297.797488 where: bonds (distance) C4'-P energy: -56.792 bonds (distance) P-C4' energy: -62.851 flat angles C4'-P-C4' energy: -56.761 flat angles P-C4'-P energy: -43.920 tors. eta vs tors. theta energy: -77.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -823.756041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.756041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.756041 (E_RNA) where: Base-Base interactions energy: -549.496 where: short stacking energy: -246.335 Base-Backbone interact. energy: -1.638 local terms energy: -272.621386 where: bonds (distance) C4'-P energy: -42.141 bonds (distance) P-C4' energy: -55.953 flat angles C4'-P-C4' energy: -61.038 flat angles P-C4'-P energy: -39.076 tors. eta vs tors. theta energy: -74.413 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: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -707.808812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.808812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.808812 (E_RNA) where: Base-Base interactions energy: -430.102 where: short stacking energy: -209.220 Base-Backbone interact. energy: -0.785 local terms energy: -276.921562 where: bonds (distance) C4'-P energy: -52.015 bonds (distance) P-C4' energy: -61.092 flat angles C4'-P-C4' energy: -67.083 flat angles P-C4'-P energy: -35.465 tors. eta vs tors. theta energy: -61.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -498.392243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.392243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.392243 (E_RNA) where: Base-Base interactions energy: -280.394 where: short stacking energy: -147.316 Base-Backbone interact. energy: -1.432 local terms energy: -216.566864 where: bonds (distance) C4'-P energy: -47.123 bonds (distance) P-C4' energy: -45.768 flat angles C4'-P-C4' energy: -57.895 flat angles P-C4'-P energy: -40.842 tors. eta vs tors. theta energy: -24.939 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: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -472.927055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.927055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.927055 (E_RNA) where: Base-Base interactions energy: -255.208 where: short stacking energy: -133.027 Base-Backbone interact. energy: -1.494 local terms energy: -216.225802 where: bonds (distance) C4'-P energy: -46.484 bonds (distance) P-C4' energy: -53.414 flat angles C4'-P-C4' energy: -53.052 flat angles P-C4'-P energy: -35.729 tors. eta vs tors. theta energy: -27.546 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: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -468.925036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.925036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.925036 (E_RNA) where: Base-Base interactions energy: -268.043 where: short stacking energy: -128.299 Base-Backbone interact. energy: -2.071 local terms energy: -198.811269 where: bonds (distance) C4'-P energy: -40.508 bonds (distance) P-C4' energy: -57.947 flat angles C4'-P-C4' energy: -45.350 flat angles P-C4'-P energy: -38.547 tors. eta vs tors. theta energy: -16.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -262.932499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.932499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.932499 (E_RNA) where: Base-Base interactions energy: -91.909 where: short stacking energy: -71.316 Base-Backbone interact. energy: -1.233 local terms energy: -169.789909 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -54.176 flat angles C4'-P-C4' energy: -39.499 flat angles P-C4'-P energy: -30.505 tors. eta vs tors. theta energy: 14.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1038.394554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.394554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.394554 (E_RNA) where: Base-Base interactions energy: -716.420 where: short stacking energy: -302.144 Base-Backbone interact. energy: -0.979 local terms energy: -320.996009 where: bonds (distance) C4'-P energy: -57.830 bonds (distance) P-C4' energy: -65.033 flat angles C4'-P-C4' energy: -70.298 flat angles P-C4'-P energy: -45.316 tors. eta vs tors. theta energy: -82.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1039.648662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.648662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.648662 (E_RNA) where: Base-Base interactions energy: -718.155 where: short stacking energy: -308.597 Base-Backbone interact. energy: -2.035 local terms energy: -319.458101 where: bonds (distance) C4'-P energy: -58.560 bonds (distance) P-C4' energy: -66.245 flat angles C4'-P-C4' energy: -74.327 flat angles P-C4'-P energy: -37.887 tors. eta vs tors. theta energy: -82.439 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: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -929.395370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.395370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.395370 (E_RNA) where: Base-Base interactions energy: -617.789 where: short stacking energy: -260.543 Base-Backbone interact. energy: -1.878 local terms energy: -309.727955 where: bonds (distance) C4'-P energy: -56.653 bonds (distance) P-C4' energy: -63.751 flat angles C4'-P-C4' energy: -61.774 flat angles P-C4'-P energy: -44.813 tors. eta vs tors. theta energy: -82.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -903.958458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.958458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.958458 (E_RNA) where: Base-Base interactions energy: -603.830 where: short stacking energy: -263.428 Base-Backbone interact. energy: 1.014 local terms energy: -301.142282 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -62.011 flat angles C4'-P-C4' energy: -61.824 flat angles P-C4'-P energy: -48.654 tors. eta vs tors. theta energy: -72.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -783.497796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.497796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.497796 (E_RNA) where: Base-Base interactions energy: -509.809 where: short stacking energy: -222.905 Base-Backbone interact. energy: -1.069 local terms energy: -272.619878 where: bonds (distance) C4'-P energy: -58.867 bonds (distance) P-C4' energy: -61.926 flat angles C4'-P-C4' energy: -60.021 flat angles P-C4'-P energy: -40.325 tors. eta vs tors. theta energy: -51.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -731.202705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.202705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.202705 (E_RNA) where: Base-Base interactions energy: -465.786 where: short stacking energy: -224.244 Base-Backbone interact. energy: -1.002 local terms energy: -264.415507 where: bonds (distance) C4'-P energy: -40.606 bonds (distance) P-C4' energy: -60.931 flat angles C4'-P-C4' energy: -65.149 flat angles P-C4'-P energy: -42.736 tors. eta vs tors. theta energy: -54.994 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: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -498.402143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.402143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.402143 (E_RNA) where: Base-Base interactions energy: -261.663 where: short stacking energy: -142.179 Base-Backbone interact. energy: 1.698 local terms energy: -238.437297 where: bonds (distance) C4'-P energy: -58.578 bonds (distance) P-C4' energy: -60.388 flat angles C4'-P-C4' energy: -52.059 flat angles P-C4'-P energy: -38.348 tors. eta vs tors. theta energy: -29.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -479.956120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.956120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.956120 (E_RNA) where: Base-Base interactions energy: -272.639 where: short stacking energy: -126.129 Base-Backbone interact. energy: 1.052 local terms energy: -208.368709 where: bonds (distance) C4'-P energy: -50.530 bonds (distance) P-C4' energy: -52.534 flat angles C4'-P-C4' energy: -47.974 flat angles P-C4'-P energy: -37.039 tors. eta vs tors. theta energy: -20.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -463.232244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.232244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.232244 (E_RNA) where: Base-Base interactions energy: -272.396 where: short stacking energy: -134.769 Base-Backbone interact. energy: -0.763 local terms energy: -190.073588 where: bonds (distance) C4'-P energy: -42.592 bonds (distance) P-C4' energy: -50.556 flat angles C4'-P-C4' energy: -46.422 flat angles P-C4'-P energy: -28.579 tors. eta vs tors. theta energy: -21.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -291.821872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.821872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.821872 (E_RNA) where: Base-Base interactions energy: -97.840 where: short stacking energy: -63.992 Base-Backbone interact. energy: 1.562 local terms energy: -195.544048 where: bonds (distance) C4'-P energy: -51.415 bonds (distance) P-C4' energy: -54.829 flat angles C4'-P-C4' energy: -44.380 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: -3.053 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: 132 Temperature: 0.900000 Total energy: -1047.123805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.123805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.123805 (E_RNA) where: Base-Base interactions energy: -716.634 where: short stacking energy: -301.428 Base-Backbone interact. energy: -1.575 local terms energy: -328.915091 where: bonds (distance) C4'-P energy: -64.279 bonds (distance) P-C4' energy: -63.863 flat angles C4'-P-C4' energy: -68.193 flat angles P-C4'-P energy: -46.397 tors. eta vs tors. theta energy: -86.182 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: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1043.983988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.983988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.983988 (E_RNA) where: Base-Base interactions energy: -713.310 where: short stacking energy: -300.894 Base-Backbone interact. energy: -2.541 local terms energy: -328.133262 where: bonds (distance) C4'-P energy: -53.492 bonds (distance) P-C4' energy: -68.651 flat angles C4'-P-C4' energy: -67.836 flat angles P-C4'-P energy: -43.568 tors. eta vs tors. theta energy: -94.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -940.465460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.465460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.465460 (E_RNA) where: Base-Base interactions energy: -628.042 where: short stacking energy: -271.659 Base-Backbone interact. energy: 0.859 local terms energy: -313.282115 where: bonds (distance) C4'-P energy: -63.083 bonds (distance) P-C4' energy: -59.975 flat angles C4'-P-C4' energy: -66.132 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: -81.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -859.473924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.473924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.473924 (E_RNA) where: Base-Base interactions energy: -545.026 where: short stacking energy: -238.761 Base-Backbone interact. energy: 1.315 local terms energy: -315.763246 where: bonds (distance) C4'-P energy: -68.870 bonds (distance) P-C4' energy: -64.527 flat angles C4'-P-C4' energy: -70.351 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -64.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -814.106312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.106312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.106312 (E_RNA) where: Base-Base interactions energy: -536.750 where: short stacking energy: -226.631 Base-Backbone interact. energy: -3.886 local terms energy: -273.469909 where: bonds (distance) C4'-P energy: -49.068 bonds (distance) P-C4' energy: -54.499 flat angles C4'-P-C4' energy: -54.198 flat angles P-C4'-P energy: -44.697 tors. eta vs tors. theta energy: -71.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -705.357297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.357297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.357297 (E_RNA) where: Base-Base interactions energy: -451.746 where: short stacking energy: -181.864 Base-Backbone interact. energy: -0.484 local terms energy: -253.127684 where: bonds (distance) C4'-P energy: -53.835 bonds (distance) P-C4' energy: -59.561 flat angles C4'-P-C4' energy: -49.191 flat angles P-C4'-P energy: -45.950 tors. eta vs tors. theta energy: -44.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -496.703457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.703457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.703457 (E_RNA) where: Base-Base interactions energy: -267.419 where: short stacking energy: -138.730 Base-Backbone interact. energy: -0.641 local terms energy: -228.643225 where: bonds (distance) C4'-P energy: -59.700 bonds (distance) P-C4' energy: -53.249 flat angles C4'-P-C4' energy: -60.283 flat angles P-C4'-P energy: -33.934 tors. eta vs tors. theta energy: -21.476 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: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -485.097599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.097599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.097599 (E_RNA) where: Base-Base interactions energy: -266.248 where: short stacking energy: -145.666 Base-Backbone interact. energy: -0.769 local terms energy: -218.080523 where: bonds (distance) C4'-P energy: -44.082 bonds (distance) P-C4' energy: -61.016 flat angles C4'-P-C4' energy: -52.527 flat angles P-C4'-P energy: -29.804 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: 9, replica: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -456.084150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.084150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.084150 (E_RNA) where: Base-Base interactions energy: -242.392 where: short stacking energy: -130.469 Base-Backbone interact. energy: -2.014 local terms energy: -211.677755 where: bonds (distance) C4'-P energy: -54.966 bonds (distance) P-C4' energy: -62.660 flat angles C4'-P-C4' energy: -50.367 flat angles P-C4'-P energy: -25.555 tors. eta vs tors. theta energy: -18.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -238.834560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.834560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.834560 (E_RNA) where: Base-Base interactions energy: -85.285 where: short stacking energy: -76.008 Base-Backbone interact. energy: -1.539 local terms energy: -152.010164 where: bonds (distance) C4'-P energy: -51.596 bonds (distance) P-C4' energy: -56.439 flat angles C4'-P-C4' energy: -30.510 flat angles P-C4'-P energy: -28.943 tors. eta vs tors. theta energy: 15.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1025.099603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.099603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.099603 (E_RNA) where: Base-Base interactions energy: -696.980 where: short stacking energy: -296.208 Base-Backbone interact. energy: -1.273 local terms energy: -326.846290 where: bonds (distance) C4'-P energy: -65.757 bonds (distance) P-C4' energy: -65.862 flat angles C4'-P-C4' energy: -63.094 flat angles P-C4'-P energy: -50.271 tors. eta vs tors. theta energy: -81.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1022.247218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.247218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.247218 (E_RNA) where: Base-Base interactions energy: -703.007 where: short stacking energy: -283.212 Base-Backbone interact. energy: 0.472 local terms energy: -319.712211 where: bonds (distance) C4'-P energy: -58.071 bonds (distance) P-C4' energy: -65.604 flat angles C4'-P-C4' energy: -63.596 flat angles P-C4'-P energy: -38.544 tors. eta vs tors. theta energy: -93.897 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: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -948.390977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.390977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.390977 (E_RNA) where: Base-Base interactions energy: -646.957 where: short stacking energy: -284.629 Base-Backbone interact. energy: -1.336 local terms energy: -300.098371 where: bonds (distance) C4'-P energy: -50.642 bonds (distance) P-C4' energy: -57.043 flat angles C4'-P-C4' energy: -63.368 flat angles P-C4'-P energy: -39.995 tors. eta vs tors. theta energy: -89.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -869.682372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.682372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.682372 (E_RNA) where: Base-Base interactions energy: -561.702 where: short stacking energy: -239.419 Base-Backbone interact. energy: 0.211 local terms energy: -308.190882 where: bonds (distance) C4'-P energy: -63.852 bonds (distance) P-C4' energy: -60.583 flat angles C4'-P-C4' energy: -63.478 flat angles P-C4'-P energy: -46.603 tors. eta vs tors. theta energy: -73.676 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: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -837.421193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.421193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.421193 (E_RNA) where: Base-Base interactions energy: -547.371 where: short stacking energy: -238.213 Base-Backbone interact. energy: -1.241 local terms energy: -288.809048 where: bonds (distance) C4'-P energy: -65.968 bonds (distance) P-C4' energy: -55.048 flat angles C4'-P-C4' energy: -63.166 flat angles P-C4'-P energy: -41.874 tors. eta vs tors. theta energy: -62.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -712.089023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.089023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.089023 (E_RNA) where: Base-Base interactions energy: -454.774 where: short stacking energy: -199.985 Base-Backbone interact. energy: 0.173 local terms energy: -257.488434 where: bonds (distance) C4'-P energy: -54.722 bonds (distance) P-C4' energy: -63.617 flat angles C4'-P-C4' energy: -59.384 flat angles P-C4'-P energy: -42.640 tors. eta vs tors. theta energy: -37.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -522.106024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.106024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.106024 (E_RNA) where: Base-Base interactions energy: -294.889 where: short stacking energy: -161.166 Base-Backbone interact. energy: -1.683 local terms energy: -225.534625 where: bonds (distance) C4'-P energy: -48.025 bonds (distance) P-C4' energy: -53.800 flat angles C4'-P-C4' energy: -56.654 flat angles P-C4'-P energy: -37.254 tors. eta vs tors. theta energy: -29.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -508.020977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.020977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.020977 (E_RNA) where: Base-Base interactions energy: -279.295 where: short stacking energy: -143.535 Base-Backbone interact. energy: -0.510 local terms energy: -228.215855 where: bonds (distance) C4'-P energy: -61.537 bonds (distance) P-C4' energy: -51.558 flat angles C4'-P-C4' energy: -56.200 flat angles P-C4'-P energy: -36.498 tors. eta vs tors. theta energy: -22.423 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: 133 Temperature: 1.300000 Total energy: -449.506115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.506115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.506115 (E_RNA) where: Base-Base interactions energy: -254.830 where: short stacking energy: -117.263 Base-Backbone interact. energy: -1.415 local terms energy: -193.261309 where: bonds (distance) C4'-P energy: -48.496 bonds (distance) P-C4' energy: -48.055 flat angles C4'-P-C4' energy: -53.968 flat angles P-C4'-P energy: -23.693 tors. eta vs tors. theta energy: -19.049 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: 3 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -249.276612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.276612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.276612 (E_RNA) where: Base-Base interactions energy: -77.176 where: short stacking energy: -62.450 Base-Backbone interact. energy: -0.185 local terms energy: -171.915968 where: bonds (distance) C4'-P energy: -50.865 bonds (distance) P-C4' energy: -53.926 flat angles C4'-P-C4' energy: -49.922 flat angles P-C4'-P energy: -34.257 tors. eta vs tors. theta energy: 17.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1036.313876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.313876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.313876 (E_RNA) where: Base-Base interactions energy: -703.333 where: short stacking energy: -299.482 Base-Backbone interact. energy: -2.555 local terms energy: -330.425868 where: bonds (distance) C4'-P energy: -63.675 bonds (distance) P-C4' energy: -66.220 flat angles C4'-P-C4' energy: -69.418 flat angles P-C4'-P energy: -42.515 tors. eta vs tors. theta energy: -88.598 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: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1038.191677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.191677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.191677 (E_RNA) where: Base-Base interactions energy: -711.601 where: short stacking energy: -295.669 Base-Backbone interact. energy: -0.557 local terms energy: -326.032923 where: bonds (distance) C4'-P energy: -58.248 bonds (distance) P-C4' energy: -65.500 flat angles C4'-P-C4' energy: -71.612 flat angles P-C4'-P energy: -40.072 tors. eta vs tors. theta energy: -90.600 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: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -942.964009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.964009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.964009 (E_RNA) where: Base-Base interactions energy: -633.185 where: short stacking energy: -271.172 Base-Backbone interact. energy: -2.062 local terms energy: -307.717274 where: bonds (distance) C4'-P energy: -58.201 bonds (distance) P-C4' energy: -62.127 flat angles C4'-P-C4' energy: -65.258 flat angles P-C4'-P energy: -35.727 tors. eta vs tors. theta energy: -86.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -881.314081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.314081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.314081 (E_RNA) where: Base-Base interactions energy: -579.635 where: short stacking energy: -245.192 Base-Backbone interact. energy: 0.875 local terms energy: -302.553758 where: bonds (distance) C4'-P energy: -61.434 bonds (distance) P-C4' energy: -61.764 flat angles C4'-P-C4' energy: -64.699 flat angles P-C4'-P energy: -52.614 tors. eta vs tors. theta energy: -62.042 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: 5 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -774.045667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.045667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.045667 (E_RNA) where: Base-Base interactions energy: -496.430 where: short stacking energy: -225.647 Base-Backbone interact. energy: -0.028 local terms energy: -277.587611 where: bonds (distance) C4'-P energy: -46.645 bonds (distance) P-C4' energy: -57.440 flat angles C4'-P-C4' energy: -63.219 flat angles P-C4'-P energy: -48.115 tors. eta vs tors. theta energy: -62.168 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: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -680.234309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.234309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.234309 (E_RNA) where: Base-Base interactions energy: -425.231 where: short stacking energy: -207.623 Base-Backbone interact. energy: -1.502 local terms energy: -253.501477 where: bonds (distance) C4'-P energy: -58.292 bonds (distance) P-C4' energy: -55.529 flat angles C4'-P-C4' energy: -48.615 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: -48.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -518.567363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.567363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.567363 (E_RNA) where: Base-Base interactions energy: -319.676 where: short stacking energy: -152.524 Base-Backbone interact. energy: -1.354 local terms energy: -197.536523 where: bonds (distance) C4'-P energy: -56.999 bonds (distance) P-C4' energy: -48.696 flat angles C4'-P-C4' energy: -42.354 flat angles P-C4'-P energy: -21.866 tors. eta vs tors. theta energy: -27.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -497.547513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.547513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.547513 (E_RNA) where: Base-Base interactions energy: -278.072 where: short stacking energy: -147.751 Base-Backbone interact. energy: -0.689 local terms energy: -218.786031 where: bonds (distance) C4'-P energy: -52.872 bonds (distance) P-C4' energy: -58.936 flat angles C4'-P-C4' energy: -60.524 flat angles P-C4'-P energy: -28.192 tors. eta vs tors. theta energy: -18.262 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: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -461.239134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.239134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.239134 (E_RNA) where: Base-Base interactions energy: -249.435 where: short stacking energy: -125.762 Base-Backbone interact. energy: 1.275 local terms energy: -213.079854 where: bonds (distance) C4'-P energy: -54.458 bonds (distance) P-C4' energy: -55.383 flat angles C4'-P-C4' energy: -51.089 flat angles P-C4'-P energy: -29.899 tors. eta vs tors. theta energy: -22.250 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: 3 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -285.141657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.141657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.141657 (E_RNA) where: Base-Base interactions energy: -122.750 where: short stacking energy: -79.727 Base-Backbone interact. energy: 1.427 local terms energy: -163.818982 where: bonds (distance) C4'-P energy: -42.731 bonds (distance) P-C4' energy: -54.503 flat angles C4'-P-C4' energy: -41.750 flat angles P-C4'-P energy: -20.452 tors. eta vs tors. theta energy: -4.382 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: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1043.503914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.503914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.503914 (E_RNA) where: Base-Base interactions energy: -714.446 where: short stacking energy: -299.375 Base-Backbone interact. energy: -1.582 local terms energy: -327.475905 where: bonds (distance) C4'-P energy: -66.410 bonds (distance) P-C4' energy: -61.255 flat angles C4'-P-C4' energy: -68.599 flat angles P-C4'-P energy: -47.545 tors. eta vs tors. theta energy: -83.666 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: 2, replica: 2 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -982.684937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.684937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.684937 (E_RNA) where: Base-Base interactions energy: -650.858 where: short stacking energy: -287.225 Base-Backbone interact. energy: -0.804 local terms energy: -331.023084 where: bonds (distance) C4'-P energy: -51.731 bonds (distance) P-C4' energy: -68.007 flat angles C4'-P-C4' energy: -72.121 flat angles P-C4'-P energy: -49.576 tors. eta vs tors. theta energy: -89.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1004.011043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.011043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.011043 (E_RNA) where: Base-Base interactions energy: -689.111 where: short stacking energy: -275.660 Base-Backbone interact. energy: -0.704 local terms energy: -314.196422 where: bonds (distance) C4'-P energy: -54.913 bonds (distance) P-C4' energy: -69.521 flat angles C4'-P-C4' energy: -63.602 flat angles P-C4'-P energy: -45.458 tors. eta vs tors. theta energy: -80.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -899.527988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.527988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.527988 (E_RNA) where: Base-Base interactions energy: -599.421 where: short stacking energy: -249.846 Base-Backbone interact. energy: 4.782 local terms energy: -304.889170 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -66.412 flat angles C4'-P-C4' energy: -59.985 flat angles P-C4'-P energy: -48.976 tors. eta vs tors. theta energy: -69.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -799.703249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.703249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.703249 (E_RNA) where: Base-Base interactions energy: -528.951 where: short stacking energy: -246.423 Base-Backbone interact. energy: -0.377 local terms energy: -270.375346 where: bonds (distance) C4'-P energy: -54.260 bonds (distance) P-C4' energy: -61.390 flat angles C4'-P-C4' energy: -57.474 flat angles P-C4'-P energy: -34.525 tors. eta vs tors. theta energy: -62.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -720.821078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.821078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.821078 (E_RNA) where: Base-Base interactions energy: -448.187 where: short stacking energy: -216.928 Base-Backbone interact. energy: -0.832 local terms energy: -271.801760 where: bonds (distance) C4'-P energy: -64.048 bonds (distance) P-C4' energy: -53.279 flat angles C4'-P-C4' energy: -61.866 flat angles P-C4'-P energy: -34.046 tors. eta vs tors. theta energy: -58.562 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: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -529.154775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.154775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.154775 (E_RNA) where: Base-Base interactions energy: -308.217 where: short stacking energy: -151.299 Base-Backbone interact. energy: -2.098 local terms energy: -218.839064 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -58.660 flat angles C4'-P-C4' energy: -58.127 flat angles P-C4'-P energy: -21.719 tors. eta vs tors. theta energy: -23.846 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: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -492.457435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.457435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.457435 (E_RNA) where: Base-Base interactions energy: -296.409 where: short stacking energy: -151.379 Base-Backbone interact. energy: -0.961 local terms energy: -195.087308 where: bonds (distance) C4'-P energy: -50.965 bonds (distance) P-C4' energy: -47.060 flat angles C4'-P-C4' energy: -48.338 flat angles P-C4'-P energy: -34.376 tors. eta vs tors. theta energy: -14.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -464.752065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.752065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.752065 (E_RNA) where: Base-Base interactions energy: -253.215 where: short stacking energy: -119.599 Base-Backbone interact. energy: -1.398 local terms energy: -210.139174 where: bonds (distance) C4'-P energy: -60.577 bonds (distance) P-C4' energy: -54.704 flat angles C4'-P-C4' energy: -55.162 flat angles P-C4'-P energy: -26.155 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: 10, replica: 3 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -266.711507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.711507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.711507 (E_RNA) where: Base-Base interactions energy: -94.739 where: short stacking energy: -57.948 Base-Backbone interact. energy: 0.668 local terms energy: -172.640461 where: bonds (distance) C4'-P energy: -53.078 bonds (distance) P-C4' energy: -52.155 flat angles C4'-P-C4' energy: -44.701 flat angles P-C4'-P energy: -34.114 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: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1046.692653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.692653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.692653 (E_RNA) where: Base-Base interactions energy: -708.124 where: short stacking energy: -293.683 Base-Backbone interact. energy: -1.147 local terms energy: -337.421016 where: bonds (distance) C4'-P energy: -65.417 bonds (distance) P-C4' energy: -61.752 flat angles C4'-P-C4' energy: -72.656 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -89.316 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: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -995.367848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.367848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.367848 (E_RNA) where: Base-Base interactions energy: -671.199 where: short stacking energy: -297.277 Base-Backbone interact. energy: -1.880 local terms energy: -322.288527 where: bonds (distance) C4'-P energy: -64.333 bonds (distance) P-C4' energy: -55.982 flat angles C4'-P-C4' energy: -72.823 flat angles P-C4'-P energy: -44.899 tors. eta vs tors. theta energy: -84.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -939.461534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.461534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.461534 (E_RNA) where: Base-Base interactions energy: -628.199 where: short stacking energy: -269.281 Base-Backbone interact. energy: -3.091 local terms energy: -308.171296 where: bonds (distance) C4'-P energy: -60.425 bonds (distance) P-C4' energy: -60.433 flat angles C4'-P-C4' energy: -64.099 flat angles P-C4'-P energy: -43.996 tors. eta vs tors. theta energy: -79.218 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: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -884.448979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.448979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.448979 (E_RNA) where: Base-Base interactions energy: -592.616 where: short stacking energy: -254.184 Base-Backbone interact. energy: 2.097 local terms energy: -293.930051 where: bonds (distance) C4'-P energy: -57.215 bonds (distance) P-C4' energy: -52.488 flat angles C4'-P-C4' energy: -62.414 flat angles P-C4'-P energy: -43.843 tors. eta vs tors. theta energy: -77.970 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: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -748.320526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.320526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.320526 (E_RNA) where: Base-Base interactions energy: -494.420 where: short stacking energy: -217.687 Base-Backbone interact. energy: 0.835 local terms energy: -254.735541 where: bonds (distance) C4'-P energy: -50.322 bonds (distance) P-C4' energy: -52.479 flat angles C4'-P-C4' energy: -68.061 flat angles P-C4'-P energy: -33.897 tors. eta vs tors. theta energy: -49.977 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: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -666.353918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.353918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.353918 (E_RNA) where: Base-Base interactions energy: -424.580 where: short stacking energy: -183.163 Base-Backbone interact. energy: 0.098 local terms energy: -241.870958 where: bonds (distance) C4'-P energy: -63.234 bonds (distance) P-C4' energy: -53.756 flat angles C4'-P-C4' energy: -47.860 flat angles P-C4'-P energy: -28.621 tors. eta vs tors. theta energy: -48.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -493.552508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.552508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.552508 (E_RNA) where: Base-Base interactions energy: -282.717 where: short stacking energy: -149.260 Base-Backbone interact. energy: 0.655 local terms energy: -211.490858 where: bonds (distance) C4'-P energy: -52.025 bonds (distance) P-C4' energy: -54.584 flat angles C4'-P-C4' energy: -55.050 flat angles P-C4'-P energy: -31.441 tors. eta vs tors. theta energy: -18.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -471.827460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.827460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.827460 (E_RNA) where: Base-Base interactions energy: -253.005 where: short stacking energy: -132.319 Base-Backbone interact. energy: -1.484 local terms energy: -217.338899 where: bonds (distance) C4'-P energy: -58.515 bonds (distance) P-C4' energy: -55.638 flat angles C4'-P-C4' energy: -54.521 flat angles P-C4'-P energy: -22.652 tors. eta vs tors. theta energy: -26.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -428.305533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.305533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.305533 (E_RNA) where: Base-Base interactions energy: -242.102 where: short stacking energy: -115.598 Base-Backbone interact. energy: 1.012 local terms energy: -187.216029 where: bonds (distance) C4'-P energy: -41.637 bonds (distance) P-C4' energy: -43.062 flat angles C4'-P-C4' energy: -58.373 flat angles P-C4'-P energy: -25.078 tors. eta vs tors. theta energy: -19.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -258.066268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.066268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.066268 (E_RNA) where: Base-Base interactions energy: -87.343 where: short stacking energy: -74.851 Base-Backbone interact. energy: -0.372 local terms energy: -170.351240 where: bonds (distance) C4'-P energy: -49.817 bonds (distance) P-C4' energy: -50.835 flat angles C4'-P-C4' energy: -42.735 flat angles P-C4'-P energy: -28.743 tors. eta vs tors. theta energy: 1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1071.150891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.150891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.150891 (E_RNA) where: Base-Base interactions energy: -738.036 where: short stacking energy: -294.438 Base-Backbone interact. energy: -1.252 local terms energy: -331.863241 where: bonds (distance) C4'-P energy: -63.719 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -70.712 flat angles P-C4'-P energy: -43.262 tors. eta vs tors. theta energy: -90.132 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: 2 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1005.659628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.659628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.659628 (E_RNA) where: Base-Base interactions energy: -669.878 where: short stacking energy: -291.362 Base-Backbone interact. energy: -0.112 local terms energy: -335.669768 where: bonds (distance) C4'-P energy: -58.750 bonds (distance) P-C4' energy: -62.906 flat angles C4'-P-C4' energy: -70.507 flat angles P-C4'-P energy: -52.464 tors. eta vs tors. theta energy: -91.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -933.325223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.325223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.325223 (E_RNA) where: Base-Base interactions energy: -639.530 where: short stacking energy: -250.499 Base-Backbone interact. energy: -2.235 local terms energy: -291.560364 where: bonds (distance) C4'-P energy: -54.596 bonds (distance) P-C4' energy: -56.678 flat angles C4'-P-C4' energy: -65.494 flat angles P-C4'-P energy: -43.411 tors. eta vs tors. theta energy: -71.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -902.667508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.667508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.667508 (E_RNA) where: Base-Base interactions energy: -589.216 where: short stacking energy: -257.029 Base-Backbone interact. energy: -1.573 local terms energy: -311.878473 where: bonds (distance) C4'-P energy: -55.297 bonds (distance) P-C4' energy: -60.236 flat angles C4'-P-C4' energy: -60.850 flat angles P-C4'-P energy: -47.771 tors. eta vs tors. theta energy: -87.724 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: 5 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -773.777936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.777936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.777936 (E_RNA) where: Base-Base interactions energy: -496.498 where: short stacking energy: -209.688 Base-Backbone interact. energy: -1.353 local terms energy: -275.927398 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -67.424 flat angles C4'-P-C4' energy: -66.804 flat angles P-C4'-P energy: -31.716 tors. eta vs tors. theta energy: -52.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -664.785953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.785953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.785953 (E_RNA) where: Base-Base interactions energy: -405.739 where: short stacking energy: -201.551 Base-Backbone interact. energy: 2.360 local terms energy: -261.407356 where: bonds (distance) C4'-P energy: -47.560 bonds (distance) P-C4' energy: -64.587 flat angles C4'-P-C4' energy: -56.745 flat angles P-C4'-P energy: -38.443 tors. eta vs tors. theta energy: -54.074 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: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -543.969922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.969922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.969922 (E_RNA) where: Base-Base interactions energy: -322.358 where: short stacking energy: -152.982 Base-Backbone interact. energy: -0.631 local terms energy: -220.980666 where: bonds (distance) C4'-P energy: -44.086 bonds (distance) P-C4' energy: -60.669 flat angles C4'-P-C4' energy: -61.942 flat angles P-C4'-P energy: -25.975 tors. eta vs tors. theta energy: -28.308 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: 8, replica: 6 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -509.541592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.541592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.541592 (E_RNA) where: Base-Base interactions energy: -271.976 where: short stacking energy: -160.632 Base-Backbone interact. energy: 2.291 local terms energy: -239.857228 where: bonds (distance) C4'-P energy: -63.195 bonds (distance) P-C4' energy: -58.908 flat angles C4'-P-C4' energy: -44.775 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -31.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -468.103653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.103653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.103653 (E_RNA) where: Base-Base interactions energy: -272.040 where: short stacking energy: -148.675 Base-Backbone interact. energy: -0.344 local terms energy: -195.720110 where: bonds (distance) C4'-P energy: -52.060 bonds (distance) P-C4' energy: -45.414 flat angles C4'-P-C4' energy: -41.495 flat angles P-C4'-P energy: -32.798 tors. eta vs tors. theta energy: -23.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -270.825214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.825214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.825214 (E_RNA) where: Base-Base interactions energy: -112.717 where: short stacking energy: -75.375 Base-Backbone interact. energy: -1.679 local terms energy: -156.429246 where: bonds (distance) C4'-P energy: -63.964 bonds (distance) P-C4' energy: -35.791 flat angles C4'-P-C4' energy: -46.142 flat angles P-C4'-P energy: -21.894 tors. eta vs tors. theta energy: 11.362 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: 1, replica: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1074.637786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.637786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.637786 (E_RNA) where: Base-Base interactions energy: -729.555 where: short stacking energy: -297.535 Base-Backbone interact. energy: -1.572 local terms energy: -343.510912 where: bonds (distance) C4'-P energy: -64.435 bonds (distance) P-C4' energy: -71.650 flat angles C4'-P-C4' energy: -73.628 flat angles P-C4'-P energy: -42.595 tors. eta vs tors. theta energy: -91.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1006.113855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.113855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.113855 (E_RNA) where: Base-Base interactions energy: -670.198 where: short stacking energy: -291.990 Base-Backbone interact. energy: -2.607 local terms energy: -333.308581 where: bonds (distance) C4'-P energy: -63.447 bonds (distance) P-C4' energy: -69.179 flat angles C4'-P-C4' energy: -69.498 flat angles P-C4'-P energy: -47.667 tors. eta vs tors. theta energy: -83.518 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: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -958.230816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.230816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.230816 (E_RNA) where: Base-Base interactions energy: -645.858 where: short stacking energy: -273.881 Base-Backbone interact. energy: -1.053 local terms energy: -311.319617 where: bonds (distance) C4'-P energy: -63.014 bonds (distance) P-C4' energy: -61.848 flat angles C4'-P-C4' energy: -62.285 flat angles P-C4'-P energy: -48.747 tors. eta vs tors. theta energy: -75.426 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: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -908.460806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.460806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.460806 (E_RNA) where: Base-Base interactions energy: -606.033 where: short stacking energy: -252.158 Base-Backbone interact. energy: 0.933 local terms energy: -303.360784 where: bonds (distance) C4'-P energy: -54.822 bonds (distance) P-C4' energy: -56.390 flat angles C4'-P-C4' energy: -69.999 flat angles P-C4'-P energy: -41.857 tors. eta vs tors. theta energy: -80.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -739.625877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.625877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.625877 (E_RNA) where: Base-Base interactions energy: -502.418 where: short stacking energy: -216.213 Base-Backbone interact. energy: 0.160 local terms energy: -237.367893 where: bonds (distance) C4'-P energy: -52.167 bonds (distance) P-C4' energy: -56.331 flat angles C4'-P-C4' energy: -47.989 flat angles P-C4'-P energy: -32.492 tors. eta vs tors. theta energy: -48.389 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: 138 Temperature: 1.150000 Total energy: -685.951004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.951004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.951004 (E_RNA) where: Base-Base interactions energy: -425.831 where: short stacking energy: -198.638 Base-Backbone interact. energy: 2.178 local terms energy: -262.298784 where: bonds (distance) C4'-P energy: -56.550 bonds (distance) P-C4' energy: -56.563 flat angles C4'-P-C4' energy: -60.513 flat angles P-C4'-P energy: -44.592 tors. eta vs tors. theta energy: -44.081 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: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -583.677179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.677179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.677179 (E_RNA) where: Base-Base interactions energy: -355.029 where: short stacking energy: -177.099 Base-Backbone interact. energy: -1.647 local terms energy: -227.001630 where: bonds (distance) C4'-P energy: -46.516 bonds (distance) P-C4' energy: -57.802 flat angles C4'-P-C4' energy: -56.100 flat angles P-C4'-P energy: -30.946 tors. eta vs tors. theta energy: -35.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -492.366975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.366975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.366975 (E_RNA) where: Base-Base interactions energy: -266.919 where: short stacking energy: -141.261 Base-Backbone interact. energy: 0.382 local terms energy: -225.829375 where: bonds (distance) C4'-P energy: -61.094 bonds (distance) P-C4' energy: -61.533 flat angles C4'-P-C4' energy: -56.309 flat angles P-C4'-P energy: -20.376 tors. eta vs tors. theta energy: -26.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -436.697990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.697990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.697990 (E_RNA) where: Base-Base interactions energy: -224.470 where: short stacking energy: -105.653 Base-Backbone interact. energy: 2.870 local terms energy: -215.097834 where: bonds (distance) C4'-P energy: -55.626 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -60.602 flat angles P-C4'-P energy: -33.837 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -241.138713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.138713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.138713 (E_RNA) where: Base-Base interactions energy: -81.945 where: short stacking energy: -55.467 Base-Backbone interact. energy: -1.483 local terms energy: -157.710225 where: bonds (distance) C4'-P energy: -49.408 bonds (distance) P-C4' energy: -55.014 flat angles C4'-P-C4' energy: -45.864 flat angles P-C4'-P energy: -29.596 tors. eta vs tors. theta energy: 22.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1055.341901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.341901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.341901 (E_RNA) where: Base-Base interactions energy: -735.087 where: short stacking energy: -308.080 Base-Backbone interact. energy: -2.266 local terms energy: -317.988568 where: bonds (distance) C4'-P energy: -65.708 bonds (distance) P-C4' energy: -55.584 flat angles C4'-P-C4' energy: -74.286 flat angles P-C4'-P energy: -35.174 tors. eta vs tors. theta energy: -87.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1009.038085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.038085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.038085 (E_RNA) where: Base-Base interactions energy: -688.102 where: short stacking energy: -301.905 Base-Backbone interact. energy: 0.030 local terms energy: -320.966499 where: bonds (distance) C4'-P energy: -54.392 bonds (distance) P-C4' energy: -60.505 flat angles C4'-P-C4' energy: -73.954 flat angles P-C4'-P energy: -36.351 tors. eta vs tors. theta energy: -95.764 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: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -964.976283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.976283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.976283 (E_RNA) where: Base-Base interactions energy: -656.052 where: short stacking energy: -274.019 Base-Backbone interact. energy: 0.655 local terms energy: -309.579647 where: bonds (distance) C4'-P energy: -64.015 bonds (distance) P-C4' energy: -51.992 flat angles C4'-P-C4' energy: -65.311 flat angles P-C4'-P energy: -50.391 tors. eta vs tors. theta energy: -77.870 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: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -899.925476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.925476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.925476 (E_RNA) where: Base-Base interactions energy: -604.270 where: short stacking energy: -243.971 Base-Backbone interact. energy: -0.183 local terms energy: -295.473277 where: bonds (distance) C4'-P energy: -62.691 bonds (distance) P-C4' energy: -55.009 flat angles C4'-P-C4' energy: -61.684 flat angles P-C4'-P energy: -46.079 tors. eta vs tors. theta energy: -70.011 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: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -788.427415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.427415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.427415 (E_RNA) where: Base-Base interactions energy: -505.087 where: short stacking energy: -234.248 Base-Backbone interact. energy: -0.780 local terms energy: -282.560916 where: bonds (distance) C4'-P energy: -55.686 bonds (distance) P-C4' energy: -68.226 flat angles C4'-P-C4' energy: -68.174 flat angles P-C4'-P energy: -34.313 tors. eta vs tors. theta energy: -56.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -671.933542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.933542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.933542 (E_RNA) where: Base-Base interactions energy: -431.073 where: short stacking energy: -195.729 Base-Backbone interact. energy: -0.518 local terms energy: -240.342469 where: bonds (distance) C4'-P energy: -48.979 bonds (distance) P-C4' energy: -45.640 flat angles C4'-P-C4' energy: -54.982 flat angles P-C4'-P energy: -40.832 tors. eta vs tors. theta energy: -49.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -553.404336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.404336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.404336 (E_RNA) where: Base-Base interactions energy: -306.153 where: short stacking energy: -150.986 Base-Backbone interact. energy: 1.567 local terms energy: -248.818454 where: bonds (distance) C4'-P energy: -58.164 bonds (distance) P-C4' energy: -64.157 flat angles C4'-P-C4' energy: -56.665 flat angles P-C4'-P energy: -27.494 tors. eta vs tors. theta energy: -42.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -450.289898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.289898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.289898 (E_RNA) where: Base-Base interactions energy: -244.643 where: short stacking energy: -125.402 Base-Backbone interact. energy: -0.109 local terms energy: -205.537876 where: bonds (distance) C4'-P energy: -57.531 bonds (distance) P-C4' energy: -50.512 flat angles C4'-P-C4' energy: -53.014 flat angles P-C4'-P energy: -39.226 tors. eta vs tors. theta energy: -5.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -445.600389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.600389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.600389 (E_RNA) where: Base-Base interactions energy: -251.700 where: short stacking energy: -126.362 Base-Backbone interact. energy: -0.727 local terms energy: -193.173432 where: bonds (distance) C4'-P energy: -41.913 bonds (distance) P-C4' energy: -58.545 flat angles C4'-P-C4' energy: -52.298 flat angles P-C4'-P energy: -24.211 tors. eta vs tors. theta energy: -16.207 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: 3 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -260.713682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.713682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.713682 (E_RNA) where: Base-Base interactions energy: -87.367 where: short stacking energy: -72.789 Base-Backbone interact. energy: -1.997 local terms energy: -171.349622 where: bonds (distance) C4'-P energy: -55.192 bonds (distance) P-C4' energy: -66.507 flat angles C4'-P-C4' energy: -43.275 flat angles P-C4'-P energy: -19.299 tors. eta vs tors. theta energy: 12.925 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: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1067.113097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.113097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.113097 (E_RNA) where: Base-Base interactions energy: -732.321 where: short stacking energy: -299.780 Base-Backbone interact. energy: -1.477 local terms energy: -333.314943 where: bonds (distance) C4'-P energy: -66.663 bonds (distance) P-C4' energy: -58.023 flat angles C4'-P-C4' energy: -71.902 flat angles P-C4'-P energy: -47.172 tors. eta vs tors. theta energy: -89.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -980.064425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.064425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.064425 (E_RNA) where: Base-Base interactions energy: -665.562 where: short stacking energy: -300.044 Base-Backbone interact. energy: -0.468 local terms energy: -314.034700 where: bonds (distance) C4'-P energy: -52.506 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -74.769 flat angles P-C4'-P energy: -35.511 tors. eta vs tors. theta energy: -90.458 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: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -948.664363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.664363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.664363 (E_RNA) where: Base-Base interactions energy: -628.830 where: short stacking energy: -297.925 Base-Backbone interact. energy: -1.912 local terms energy: -317.922677 where: bonds (distance) C4'-P energy: -62.267 bonds (distance) P-C4' energy: -55.623 flat angles C4'-P-C4' energy: -67.640 flat angles P-C4'-P energy: -46.958 tors. eta vs tors. theta energy: -85.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -883.125149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.125149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.125149 (E_RNA) where: Base-Base interactions energy: -582.826 where: short stacking energy: -248.292 Base-Backbone interact. energy: -1.400 local terms energy: -298.899581 where: bonds (distance) C4'-P energy: -61.840 bonds (distance) P-C4' energy: -58.399 flat angles C4'-P-C4' energy: -62.346 flat angles P-C4'-P energy: -52.290 tors. eta vs tors. theta energy: -64.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -799.948465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.948465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.948465 (E_RNA) where: Base-Base interactions energy: -522.020 where: short stacking energy: -231.618 Base-Backbone interact. energy: 0.816 local terms energy: -278.744200 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -45.466 flat angles C4'-P-C4' energy: -78.316 flat angles P-C4'-P energy: -39.232 tors. eta vs tors. theta energy: -62.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -686.869242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.869242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.869242 (E_RNA) where: Base-Base interactions energy: -435.350 where: short stacking energy: -187.385 Base-Backbone interact. energy: -0.517 local terms energy: -251.001834 where: bonds (distance) C4'-P energy: -44.022 bonds (distance) P-C4' energy: -56.347 flat angles C4'-P-C4' energy: -64.886 flat angles P-C4'-P energy: -36.129 tors. eta vs tors. theta energy: -49.619 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: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -550.109516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.109516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.109516 (E_RNA) where: Base-Base interactions energy: -315.626 where: short stacking energy: -154.676 Base-Backbone interact. energy: -1.409 local terms energy: -233.074083 where: bonds (distance) C4'-P energy: -51.296 bonds (distance) P-C4' energy: -54.172 flat angles C4'-P-C4' energy: -66.408 flat angles P-C4'-P energy: -29.644 tors. eta vs tors. theta energy: -31.554 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: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -477.079529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.079529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.079529 (E_RNA) where: Base-Base interactions energy: -274.513 where: short stacking energy: -146.139 Base-Backbone interact. energy: -0.602 local terms energy: -201.964422 where: bonds (distance) C4'-P energy: -56.141 bonds (distance) P-C4' energy: -41.550 flat angles C4'-P-C4' energy: -59.125 flat angles P-C4'-P energy: -20.193 tors. eta vs tors. theta energy: -24.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -450.802854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.802854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.802854 (E_RNA) where: Base-Base interactions energy: -258.784 where: short stacking energy: -133.223 Base-Backbone interact. energy: -0.060 local terms energy: -191.958613 where: bonds (distance) C4'-P energy: -52.770 bonds (distance) P-C4' energy: -49.907 flat angles C4'-P-C4' energy: -47.211 flat angles P-C4'-P energy: -15.931 tors. eta vs tors. theta energy: -26.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -265.566262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.566262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.566262 (E_RNA) where: Base-Base interactions energy: -78.131 where: short stacking energy: -62.938 Base-Backbone interact. energy: -0.466 local terms energy: -186.968496 where: bonds (distance) C4'-P energy: -57.241 bonds (distance) P-C4' energy: -58.579 flat angles C4'-P-C4' energy: -48.925 flat angles P-C4'-P energy: -27.392 tors. eta vs tors. theta energy: 5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1063.643969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.643969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.643969 (E_RNA) where: Base-Base interactions energy: -744.591 where: short stacking energy: -292.284 Base-Backbone interact. energy: -2.090 local terms energy: -316.962663 where: bonds (distance) C4'-P energy: -62.126 bonds (distance) P-C4' energy: -61.848 flat angles C4'-P-C4' energy: -65.902 flat angles P-C4'-P energy: -43.324 tors. eta vs tors. theta energy: -83.763 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: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -970.120922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.120922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.120922 (E_RNA) where: Base-Base interactions energy: -663.859 where: short stacking energy: -277.205 Base-Backbone interact. energy: -0.040 local terms energy: -306.221877 where: bonds (distance) C4'-P energy: -52.545 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -60.693 flat angles P-C4'-P energy: -47.772 tors. eta vs tors. theta energy: -77.714 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: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -989.126225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.126225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.126225 (E_RNA) where: Base-Base interactions energy: -678.110 where: short stacking energy: -285.013 Base-Backbone interact. energy: 1.530 local terms energy: -312.545729 where: bonds (distance) C4'-P energy: -62.948 bonds (distance) P-C4' energy: -61.607 flat angles C4'-P-C4' energy: -63.154 flat angles P-C4'-P energy: -38.678 tors. eta vs tors. theta energy: -86.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -918.911333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.911333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.911333 (E_RNA) where: Base-Base interactions energy: -604.552 where: short stacking energy: -273.038 Base-Backbone interact. energy: -1.714 local terms energy: -312.645611 where: bonds (distance) C4'-P energy: -58.051 bonds (distance) P-C4' energy: -53.756 flat angles C4'-P-C4' energy: -71.507 flat angles P-C4'-P energy: -41.790 tors. eta vs tors. theta energy: -87.541 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: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -782.216116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.216116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.216116 (E_RNA) where: Base-Base interactions energy: -515.873 where: short stacking energy: -213.836 Base-Backbone interact. energy: 0.019 local terms energy: -266.362421 where: bonds (distance) C4'-P energy: -52.098 bonds (distance) P-C4' energy: -60.070 flat angles C4'-P-C4' energy: -61.684 flat angles P-C4'-P energy: -37.781 tors. eta vs tors. theta energy: -54.729 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: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -673.379497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.379497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.379497 (E_RNA) where: Base-Base interactions energy: -423.241 where: short stacking energy: -191.717 Base-Backbone interact. energy: -0.487 local terms energy: -249.651695 where: bonds (distance) C4'-P energy: -50.860 bonds (distance) P-C4' energy: -64.900 flat angles C4'-P-C4' energy: -51.780 flat angles P-C4'-P energy: -41.534 tors. eta vs tors. theta energy: -40.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -563.834314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.834314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.834314 (E_RNA) where: Base-Base interactions energy: -329.719 where: short stacking energy: -145.774 Base-Backbone interact. energy: -1.700 local terms energy: -232.415824 where: bonds (distance) C4'-P energy: -67.022 bonds (distance) P-C4' energy: -46.934 flat angles C4'-P-C4' energy: -54.302 flat angles P-C4'-P energy: -39.103 tors. eta vs tors. theta energy: -25.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -504.222876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.222876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.222876 (E_RNA) where: Base-Base interactions energy: -303.805 where: short stacking energy: -145.700 Base-Backbone interact. energy: 0.892 local terms energy: -201.309617 where: bonds (distance) C4'-P energy: -55.351 bonds (distance) P-C4' energy: -51.366 flat angles C4'-P-C4' energy: -50.183 flat angles P-C4'-P energy: -24.084 tors. eta vs tors. theta energy: -20.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -477.248141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.248141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.248141 (E_RNA) where: Base-Base interactions energy: -247.128 where: short stacking energy: -140.620 Base-Backbone interact. energy: -0.594 local terms energy: -229.525738 where: bonds (distance) C4'-P energy: -58.618 bonds (distance) P-C4' energy: -59.136 flat angles C4'-P-C4' energy: -54.887 flat angles P-C4'-P energy: -30.416 tors. eta vs tors. theta energy: -26.469 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: 3 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -252.057026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.057026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.057026 (E_RNA) where: Base-Base interactions energy: -84.538 where: short stacking energy: -73.001 Base-Backbone interact. energy: 0.448 local terms energy: -167.967679 where: bonds (distance) C4'-P energy: -45.492 bonds (distance) P-C4' energy: -45.311 flat angles C4'-P-C4' energy: -53.603 flat angles P-C4'-P energy: -34.233 tors. eta vs tors. theta energy: 10.671 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: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1048.592279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.592279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.592279 (E_RNA) where: Base-Base interactions energy: -716.042 where: short stacking energy: -297.268 Base-Backbone interact. energy: -0.351 local terms energy: -332.199583 where: bonds (distance) C4'-P energy: -63.218 bonds (distance) P-C4' energy: -66.346 flat angles C4'-P-C4' energy: -66.218 flat angles P-C4'-P energy: -46.165 tors. eta vs tors. theta energy: -90.252 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: 142 Temperature: 0.950000 Total energy: -1005.994175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.994175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.994175 (E_RNA) where: Base-Base interactions energy: -684.008 where: short stacking energy: -306.854 Base-Backbone interact. energy: -1.869 local terms energy: -320.117155 where: bonds (distance) C4'-P energy: -56.260 bonds (distance) P-C4' energy: -49.079 flat angles C4'-P-C4' energy: -68.056 flat angles P-C4'-P energy: -53.234 tors. eta vs tors. theta energy: -93.487 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: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -977.022437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.022437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.022437 (E_RNA) where: Base-Base interactions energy: -647.305 where: short stacking energy: -283.356 Base-Backbone interact. energy: -1.101 local terms energy: -328.616928 where: bonds (distance) C4'-P energy: -64.981 bonds (distance) P-C4' energy: -60.110 flat angles C4'-P-C4' energy: -70.317 flat angles P-C4'-P energy: -46.959 tors. eta vs tors. theta energy: -86.250 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: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -910.224076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.224076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.224076 (E_RNA) where: Base-Base interactions energy: -605.501 where: short stacking energy: -267.090 Base-Backbone interact. energy: -2.161 local terms energy: -302.562374 where: bonds (distance) C4'-P energy: -59.445 bonds (distance) P-C4' energy: -58.597 flat angles C4'-P-C4' energy: -67.872 flat angles P-C4'-P energy: -38.855 tors. eta vs tors. theta energy: -77.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -823.210658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.210658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.210658 (E_RNA) where: Base-Base interactions energy: -537.625 where: short stacking energy: -258.113 Base-Backbone interact. energy: -0.682 local terms energy: -284.903396 where: bonds (distance) C4'-P energy: -44.814 bonds (distance) P-C4' energy: -50.747 flat angles C4'-P-C4' energy: -68.413 flat angles P-C4'-P energy: -41.581 tors. eta vs tors. theta energy: -79.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -708.406229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.406229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.406229 (E_RNA) where: Base-Base interactions energy: -461.910 where: short stacking energy: -205.263 Base-Backbone interact. energy: 1.391 local terms energy: -247.886916 where: bonds (distance) C4'-P energy: -42.916 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -52.686 flat angles P-C4'-P energy: -43.278 tors. eta vs tors. theta energy: -43.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -529.441575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.441575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.441575 (E_RNA) where: Base-Base interactions energy: -296.336 where: short stacking energy: -152.571 Base-Backbone interact. energy: 0.127 local terms energy: -233.231854 where: bonds (distance) C4'-P energy: -53.281 bonds (distance) P-C4' energy: -52.656 flat angles C4'-P-C4' energy: -59.377 flat angles P-C4'-P energy: -31.259 tors. eta vs tors. theta energy: -36.659 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: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -484.520972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.520972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.520972 (E_RNA) where: Base-Base interactions energy: -283.066 where: short stacking energy: -123.893 Base-Backbone interact. energy: -3.186 local terms energy: -198.268653 where: bonds (distance) C4'-P energy: -54.864 bonds (distance) P-C4' energy: -62.409 flat angles C4'-P-C4' energy: -44.680 flat angles P-C4'-P energy: -24.750 tors. eta vs tors. theta energy: -11.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -450.152599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.152599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.152599 (E_RNA) where: Base-Base interactions energy: -255.710 where: short stacking energy: -127.203 Base-Backbone interact. energy: 0.454 local terms energy: -194.896454 where: bonds (distance) C4'-P energy: -53.189 bonds (distance) P-C4' energy: -44.122 flat angles C4'-P-C4' energy: -47.415 flat angles P-C4'-P energy: -37.555 tors. eta vs tors. theta energy: -12.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -277.726739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.726739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.726739 (E_RNA) where: Base-Base interactions energy: -114.049 where: short stacking energy: -94.534 Base-Backbone interact. energy: 0.570 local terms energy: -164.247687 where: bonds (distance) C4'-P energy: -52.154 bonds (distance) P-C4' energy: -49.660 flat angles C4'-P-C4' energy: -46.586 flat angles P-C4'-P energy: -16.693 tors. eta vs tors. theta energy: 0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1059.074553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.074553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.074553 (E_RNA) where: Base-Base interactions energy: -718.665 where: short stacking energy: -302.150 Base-Backbone interact. energy: -2.179 local terms energy: -338.231007 where: bonds (distance) C4'-P energy: -62.050 bonds (distance) P-C4' energy: -64.616 flat angles C4'-P-C4' energy: -66.965 flat angles P-C4'-P energy: -47.580 tors. eta vs tors. theta energy: -97.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1019.580301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.580301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.580301 (E_RNA) where: Base-Base interactions energy: -684.360 where: short stacking energy: -295.787 Base-Backbone interact. energy: -1.834 local terms energy: -333.386426 where: bonds (distance) C4'-P energy: -64.226 bonds (distance) P-C4' energy: -66.096 flat angles C4'-P-C4' energy: -66.174 flat angles P-C4'-P energy: -43.907 tors. eta vs tors. theta energy: -92.983 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: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -967.824281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.824281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.824281 (E_RNA) where: Base-Base interactions energy: -642.325 where: short stacking energy: -266.462 Base-Backbone interact. energy: 0.108 local terms energy: -325.607849 where: bonds (distance) C4'-P energy: -58.894 bonds (distance) P-C4' energy: -68.891 flat angles C4'-P-C4' energy: -60.405 flat angles P-C4'-P energy: -43.156 tors. eta vs tors. theta energy: -94.261 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: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -923.531980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.531980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.531980 (E_RNA) where: Base-Base interactions energy: -622.031 where: short stacking energy: -255.124 Base-Backbone interact. energy: -1.814 local terms energy: -299.686598 where: bonds (distance) C4'-P energy: -54.166 bonds (distance) P-C4' energy: -55.651 flat angles C4'-P-C4' energy: -68.043 flat angles P-C4'-P energy: -40.989 tors. eta vs tors. theta energy: -80.839 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: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -788.879487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.879487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.879487 (E_RNA) where: Base-Base interactions energy: -515.706 where: short stacking energy: -244.741 Base-Backbone interact. energy: 1.864 local terms energy: -275.037886 where: bonds (distance) C4'-P energy: -50.119 bonds (distance) P-C4' energy: -52.896 flat angles C4'-P-C4' energy: -62.424 flat angles P-C4'-P energy: -42.411 tors. eta vs tors. theta energy: -67.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -745.763397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.763397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.763397 (E_RNA) where: Base-Base interactions energy: -474.372 where: short stacking energy: -213.989 Base-Backbone interact. energy: -1.339 local terms energy: -270.052596 where: bonds (distance) C4'-P energy: -47.546 bonds (distance) P-C4' energy: -64.443 flat angles C4'-P-C4' energy: -61.599 flat angles P-C4'-P energy: -44.442 tors. eta vs tors. theta energy: -52.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -558.371240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.371240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.371240 (E_RNA) where: Base-Base interactions energy: -338.384 where: short stacking energy: -155.846 Base-Backbone interact. energy: -0.921 local terms energy: -219.066419 where: bonds (distance) C4'-P energy: -65.746 bonds (distance) P-C4' energy: -47.485 flat angles C4'-P-C4' energy: -51.292 flat angles P-C4'-P energy: -34.140 tors. eta vs tors. theta energy: -20.403 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -479.482356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.482356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.482356 (E_RNA) where: Base-Base interactions energy: -267.829 where: short stacking energy: -150.061 Base-Backbone interact. energy: -0.858 local terms energy: -210.795238 where: bonds (distance) C4'-P energy: -55.523 bonds (distance) P-C4' energy: -52.134 flat angles C4'-P-C4' energy: -51.331 flat angles P-C4'-P energy: -30.994 tors. eta vs tors. theta energy: -20.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -457.568558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.568558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.568558 (E_RNA) where: Base-Base interactions energy: -250.237 where: short stacking energy: -112.344 Base-Backbone interact. energy: 0.342 local terms energy: -207.673401 where: bonds (distance) C4'-P energy: -46.629 bonds (distance) P-C4' energy: -58.656 flat angles C4'-P-C4' energy: -47.852 flat angles P-C4'-P energy: -32.744 tors. eta vs tors. theta energy: -21.793 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: 3 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -249.196518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.196518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.196518 (E_RNA) where: Base-Base interactions energy: -83.033 where: short stacking energy: -54.973 Base-Backbone interact. energy: 1.029 local terms energy: -167.193276 where: bonds (distance) C4'-P energy: -47.336 bonds (distance) P-C4' energy: -54.653 flat angles C4'-P-C4' energy: -43.981 flat angles P-C4'-P energy: -33.624 tors. eta vs tors. theta energy: 12.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1079.431203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.431203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.431203 (E_RNA) where: Base-Base interactions energy: -755.670 where: short stacking energy: -309.662 Base-Backbone interact. energy: -1.515 local terms energy: -322.246339 where: bonds (distance) C4'-P energy: -56.607 bonds (distance) P-C4' energy: -61.202 flat angles C4'-P-C4' energy: -65.337 flat angles P-C4'-P energy: -46.953 tors. eta vs tors. theta energy: -92.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -991.008491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.008491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.008491 (E_RNA) where: Base-Base interactions energy: -670.804 where: short stacking energy: -289.611 Base-Backbone interact. energy: -3.950 local terms energy: -316.255139 where: bonds (distance) C4'-P energy: -65.142 bonds (distance) P-C4' energy: -54.324 flat angles C4'-P-C4' energy: -70.697 flat angles P-C4'-P energy: -38.554 tors. eta vs tors. theta energy: -87.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -944.285253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.285253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.285253 (E_RNA) where: Base-Base interactions energy: -620.169 where: short stacking energy: -260.083 Base-Backbone interact. energy: -0.155 local terms energy: -323.961453 where: bonds (distance) C4'-P energy: -62.472 bonds (distance) P-C4' energy: -64.806 flat angles C4'-P-C4' energy: -71.306 flat angles P-C4'-P energy: -46.637 tors. eta vs tors. theta energy: -78.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -925.894371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.894371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.894371 (E_RNA) where: Base-Base interactions energy: -629.652 where: short stacking energy: -263.772 Base-Backbone interact. energy: -1.575 local terms energy: -294.667031 where: bonds (distance) C4'-P energy: -43.439 bonds (distance) P-C4' energy: -65.573 flat angles C4'-P-C4' energy: -61.652 flat angles P-C4'-P energy: -35.485 tors. eta vs tors. theta energy: -88.518 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: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -782.277070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.277070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.277070 (E_RNA) where: Base-Base interactions energy: -501.759 where: short stacking energy: -234.438 Base-Backbone interact. energy: -0.660 local terms energy: -279.857583 where: bonds (distance) C4'-P energy: -51.052 bonds (distance) P-C4' energy: -53.071 flat angles C4'-P-C4' energy: -65.314 flat angles P-C4'-P energy: -40.618 tors. eta vs tors. theta energy: -69.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -705.375538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.375538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.375538 (E_RNA) where: Base-Base interactions energy: -427.828 where: short stacking energy: -192.604 Base-Backbone interact. energy: 0.547 local terms energy: -278.094850 where: bonds (distance) C4'-P energy: -63.316 bonds (distance) P-C4' energy: -59.653 flat angles C4'-P-C4' energy: -56.192 flat angles P-C4'-P energy: -46.289 tors. eta vs tors. theta energy: -52.645 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: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -586.546156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.546156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.546156 (E_RNA) where: Base-Base interactions energy: -354.118 where: short stacking energy: -147.460 Base-Backbone interact. energy: -3.151 local terms energy: -229.276202 where: bonds (distance) C4'-P energy: -58.039 bonds (distance) P-C4' energy: -53.500 flat angles C4'-P-C4' energy: -57.515 flat angles P-C4'-P energy: -31.878 tors. eta vs tors. theta energy: -28.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -484.084481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.084481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.084481 (E_RNA) where: Base-Base interactions energy: -280.633 where: short stacking energy: -147.787 Base-Backbone interact. energy: -0.149 local terms energy: -203.302907 where: bonds (distance) C4'-P energy: -51.976 bonds (distance) P-C4' energy: -43.413 flat angles C4'-P-C4' energy: -51.766 flat angles P-C4'-P energy: -36.668 tors. eta vs tors. theta energy: -19.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -467.306680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.306680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.306680 (E_RNA) where: Base-Base interactions energy: -256.321 where: short stacking energy: -132.524 Base-Backbone interact. energy: 4.592 local terms energy: -215.577572 where: bonds (distance) C4'-P energy: -48.315 bonds (distance) P-C4' energy: -47.988 flat angles C4'-P-C4' energy: -54.826 flat angles P-C4'-P energy: -34.529 tors. eta vs tors. theta energy: -29.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -264.877757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.877757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.877757 (E_RNA) where: Base-Base interactions energy: -91.747 where: short stacking energy: -60.753 Base-Backbone interact. energy: -0.335 local terms energy: -172.795527 where: bonds (distance) C4'-P energy: -56.843 bonds (distance) P-C4' energy: -45.526 flat angles C4'-P-C4' energy: -53.915 flat angles P-C4'-P energy: -24.327 tors. eta vs tors. theta energy: 7.816 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: 1, replica: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1042.143951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.143951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.143951 (E_RNA) where: Base-Base interactions energy: -732.942 where: short stacking energy: -277.069 Base-Backbone interact. energy: -1.888 local terms energy: -307.313755 where: bonds (distance) C4'-P energy: -66.252 bonds (distance) P-C4' energy: -53.377 flat angles C4'-P-C4' energy: -69.184 flat angles P-C4'-P energy: -35.128 tors. eta vs tors. theta energy: -83.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -991.756495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.756495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.756495 (E_RNA) where: Base-Base interactions energy: -653.884 where: short stacking energy: -298.759 Base-Backbone interact. energy: -0.381 local terms energy: -337.491752 where: bonds (distance) C4'-P energy: -63.124 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -70.971 flat angles P-C4'-P energy: -47.895 tors. eta vs tors. theta energy: -92.979 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: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -964.391235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.391235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.391235 (E_RNA) where: Base-Base interactions energy: -636.967 where: short stacking energy: -259.994 Base-Backbone interact. energy: -1.722 local terms energy: -325.701636 where: bonds (distance) C4'-P energy: -65.854 bonds (distance) P-C4' energy: -57.502 flat angles C4'-P-C4' energy: -75.762 flat angles P-C4'-P energy: -45.350 tors. eta vs tors. theta energy: -81.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -915.606731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.606731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.606731 (E_RNA) where: Base-Base interactions energy: -598.953 where: short stacking energy: -271.413 Base-Backbone interact. energy: -0.369 local terms energy: -316.284702 where: bonds (distance) C4'-P energy: -59.985 bonds (distance) P-C4' energy: -56.097 flat angles C4'-P-C4' energy: -69.311 flat angles P-C4'-P energy: -41.182 tors. eta vs tors. theta energy: -89.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -800.445021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.445021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.445021 (E_RNA) where: Base-Base interactions energy: -508.304 where: short stacking energy: -238.357 Base-Backbone interact. energy: -0.224 local terms energy: -291.916912 where: bonds (distance) C4'-P energy: -56.093 bonds (distance) P-C4' energy: -60.337 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -37.253 tors. eta vs tors. theta energy: -74.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -680.149733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.149733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.149733 (E_RNA) where: Base-Base interactions energy: -433.776 where: short stacking energy: -166.651 Base-Backbone interact. energy: 5.371 local terms energy: -251.744052 where: bonds (distance) C4'-P energy: -50.744 bonds (distance) P-C4' energy: -68.778 flat angles C4'-P-C4' energy: -52.550 flat angles P-C4'-P energy: -34.687 tors. eta vs tors. theta energy: -44.984 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: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -580.378314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.378314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.378314 (E_RNA) where: Base-Base interactions energy: -351.538 where: short stacking energy: -167.858 Base-Backbone interact. energy: 3.587 local terms energy: -232.426866 where: bonds (distance) C4'-P energy: -46.823 bonds (distance) P-C4' energy: -51.906 flat angles C4'-P-C4' energy: -59.334 flat angles P-C4'-P energy: -41.139 tors. eta vs tors. theta energy: -33.225 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: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -479.283005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.283005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.283005 (E_RNA) where: Base-Base interactions energy: -271.285 where: short stacking energy: -129.886 Base-Backbone interact. energy: -0.776 local terms energy: -207.222686 where: bonds (distance) C4'-P energy: -61.732 bonds (distance) P-C4' energy: -53.950 flat angles C4'-P-C4' energy: -43.595 flat angles P-C4'-P energy: -18.484 tors. eta vs tors. theta energy: -29.462 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: 4 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -461.008145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.008145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.008145 (E_RNA) where: Base-Base interactions energy: -247.650 where: short stacking energy: -130.817 Base-Backbone interact. energy: -0.798 local terms energy: -212.560250 where: bonds (distance) C4'-P energy: -50.965 bonds (distance) P-C4' energy: -59.099 flat angles C4'-P-C4' energy: -52.346 flat angles P-C4'-P energy: -27.227 tors. eta vs tors. theta energy: -22.922 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: 3 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -257.327804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.327804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.327804 (E_RNA) where: Base-Base interactions energy: -88.575 where: short stacking energy: -62.793 Base-Backbone interact. energy: -1.512 local terms energy: -167.240489 where: bonds (distance) C4'-P energy: -52.668 bonds (distance) P-C4' energy: -53.843 flat angles C4'-P-C4' energy: -35.192 flat angles P-C4'-P energy: -29.315 tors. eta vs tors. theta energy: 3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1039.404590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.404590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.404590 (E_RNA) where: Base-Base interactions energy: -720.274 where: short stacking energy: -295.388 Base-Backbone interact. energy: -1.475 local terms energy: -317.655083 where: bonds (distance) C4'-P energy: -62.819 bonds (distance) P-C4' energy: -65.794 flat angles C4'-P-C4' energy: -70.428 flat angles P-C4'-P energy: -39.086 tors. eta vs tors. theta energy: -79.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -988.753046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.753046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.753046 (E_RNA) where: Base-Base interactions energy: -647.408 where: short stacking energy: -281.093 Base-Backbone interact. energy: -2.727 local terms energy: -338.617877 where: bonds (distance) C4'-P energy: -63.459 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -70.293 flat angles P-C4'-P energy: -50.099 tors. eta vs tors. theta energy: -86.646 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: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -954.736361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.736361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.736361 (E_RNA) where: Base-Base interactions energy: -625.785 where: short stacking energy: -265.580 Base-Backbone interact. energy: -0.117 local terms energy: -328.834325 where: bonds (distance) C4'-P energy: -59.365 bonds (distance) P-C4' energy: -66.433 flat angles C4'-P-C4' energy: -58.642 flat angles P-C4'-P energy: -52.165 tors. eta vs tors. theta energy: -92.229 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: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -925.215756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.215756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.215756 (E_RNA) where: Base-Base interactions energy: -627.206 where: short stacking energy: -252.671 Base-Backbone interact. energy: -1.632 local terms energy: -296.377736 where: bonds (distance) C4'-P energy: -56.217 bonds (distance) P-C4' energy: -66.358 flat angles C4'-P-C4' energy: -62.786 flat angles P-C4'-P energy: -33.826 tors. eta vs tors. theta energy: -77.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -784.351698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.351698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.351698 (E_RNA) where: Base-Base interactions energy: -502.250 where: short stacking energy: -205.024 Base-Backbone interact. energy: -1.589 local terms energy: -280.512429 where: bonds (distance) C4'-P energy: -45.957 bonds (distance) P-C4' energy: -68.910 flat angles C4'-P-C4' energy: -63.179 flat angles P-C4'-P energy: -41.460 tors. eta vs tors. theta energy: -61.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -710.043105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.043105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.043105 (E_RNA) where: Base-Base interactions energy: -431.795 where: short stacking energy: -212.164 Base-Backbone interact. energy: 1.599 local terms energy: -279.847729 where: bonds (distance) C4'-P energy: -56.162 bonds (distance) P-C4' energy: -60.540 flat angles C4'-P-C4' energy: -60.535 flat angles P-C4'-P energy: -42.814 tors. eta vs tors. theta energy: -59.797 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: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -578.763405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.763405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.763405 (E_RNA) where: Base-Base interactions energy: -356.155 where: short stacking energy: -177.992 Base-Backbone interact. energy: -1.332 local terms energy: -221.276995 where: bonds (distance) C4'-P energy: -43.282 bonds (distance) P-C4' energy: -52.074 flat angles C4'-P-C4' energy: -51.288 flat angles P-C4'-P energy: -34.885 tors. eta vs tors. theta energy: -39.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -466.209589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.209589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.209589 (E_RNA) where: Base-Base interactions energy: -245.217 where: short stacking energy: -146.507 Base-Backbone interact. energy: -0.001 local terms energy: -220.991476 where: bonds (distance) C4'-P energy: -58.209 bonds (distance) P-C4' energy: -54.616 flat angles C4'-P-C4' energy: -48.904 flat angles P-C4'-P energy: -29.949 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: 9, replica: 4 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -493.598465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.598465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.598465 (E_RNA) where: Base-Base interactions energy: -293.123 where: short stacking energy: -145.167 Base-Backbone interact. energy: -0.364 local terms energy: -200.111707 where: bonds (distance) C4'-P energy: -49.037 bonds (distance) P-C4' energy: -33.594 flat angles C4'-P-C4' energy: -60.946 flat angles P-C4'-P energy: -35.783 tors. eta vs tors. theta energy: -20.752 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: 3 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -268.750356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.750356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.750356 (E_RNA) where: Base-Base interactions energy: -93.291 where: short stacking energy: -77.371 Base-Backbone interact. energy: 0.314 local terms energy: -175.773607 where: bonds (distance) C4'-P energy: -54.839 bonds (distance) P-C4' energy: -55.976 flat angles C4'-P-C4' energy: -47.158 flat angles P-C4'-P energy: -22.300 tors. eta vs tors. theta energy: 4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1045.410294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.410294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.410294 (E_RNA) where: Base-Base interactions energy: -714.217 where: short stacking energy: -281.499 Base-Backbone interact. energy: -1.874 local terms energy: -329.318972 where: bonds (distance) C4'-P energy: -55.489 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -65.769 flat angles P-C4'-P energy: -53.443 tors. eta vs tors. theta energy: -90.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -987.778869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.778869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.778869 (E_RNA) where: Base-Base interactions energy: -665.715 where: short stacking energy: -281.827 Base-Backbone interact. energy: -2.445 local terms energy: -319.618810 where: bonds (distance) C4'-P energy: -62.524 bonds (distance) P-C4' energy: -63.303 flat angles C4'-P-C4' energy: -66.855 flat angles P-C4'-P energy: -43.916 tors. eta vs tors. theta energy: -83.021 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: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -994.772996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.772996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.772996 (E_RNA) where: Base-Base interactions energy: -696.080 where: short stacking energy: -295.635 Base-Backbone interact. energy: -0.737 local terms energy: -297.956092 where: bonds (distance) C4'-P energy: -49.405 bonds (distance) P-C4' energy: -67.944 flat angles C4'-P-C4' energy: -59.330 flat angles P-C4'-P energy: -43.592 tors. eta vs tors. theta energy: -77.685 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: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -948.750812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.750812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.750812 (E_RNA) where: Base-Base interactions energy: -640.726 where: short stacking energy: -276.567 Base-Backbone interact. energy: -1.072 local terms energy: -306.952270 where: bonds (distance) C4'-P energy: -55.908 bonds (distance) P-C4' energy: -55.974 flat angles C4'-P-C4' energy: -67.576 flat angles P-C4'-P energy: -41.465 tors. eta vs tors. theta energy: -86.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -786.816555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.816555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.816555 (E_RNA) where: Base-Base interactions energy: -511.906 where: short stacking energy: -216.827 Base-Backbone interact. energy: -1.733 local terms energy: -273.177630 where: bonds (distance) C4'-P energy: -54.213 bonds (distance) P-C4' energy: -61.646 flat angles C4'-P-C4' energy: -62.966 flat angles P-C4'-P energy: -26.856 tors. eta vs tors. theta energy: -67.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -670.055609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.055609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.055609 (E_RNA) where: Base-Base interactions energy: -409.084 where: short stacking energy: -210.246 Base-Backbone interact. energy: -0.852 local terms energy: -260.118968 where: bonds (distance) C4'-P energy: -46.601 bonds (distance) P-C4' energy: -62.622 flat angles C4'-P-C4' energy: -62.691 flat angles P-C4'-P energy: -23.975 tors. eta vs tors. theta energy: -64.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -593.903099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.903099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.903099 (E_RNA) where: Base-Base interactions energy: -340.612 where: short stacking energy: -160.571 Base-Backbone interact. energy: -1.703 local terms energy: -251.588081 where: bonds (distance) C4'-P energy: -63.764 bonds (distance) P-C4' energy: -49.946 flat angles C4'-P-C4' energy: -57.589 flat angles P-C4'-P energy: -52.146 tors. eta vs tors. theta energy: -28.142 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: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -488.214057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.214057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.214057 (E_RNA) where: Base-Base interactions energy: -257.506 where: short stacking energy: -142.739 Base-Backbone interact. energy: -0.022 local terms energy: -230.685792 where: bonds (distance) C4'-P energy: -56.484 bonds (distance) P-C4' energy: -55.524 flat angles C4'-P-C4' energy: -54.880 flat angles P-C4'-P energy: -36.386 tors. eta vs tors. theta energy: -27.411 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: 6 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -520.123073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.123073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.123073 (E_RNA) where: Base-Base interactions energy: -323.968 where: short stacking energy: -156.694 Base-Backbone interact. energy: -0.538 local terms energy: -195.617172 where: bonds (distance) C4'-P energy: -44.220 bonds (distance) P-C4' energy: -46.561 flat angles C4'-P-C4' energy: -40.857 flat angles P-C4'-P energy: -34.663 tors. eta vs tors. theta energy: -29.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -266.714286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.714286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.714286 (E_RNA) where: Base-Base interactions energy: -91.204 where: short stacking energy: -65.545 Base-Backbone interact. energy: -0.789 local terms energy: -174.721465 where: bonds (distance) C4'-P energy: -60.859 bonds (distance) P-C4' energy: -46.045 flat angles C4'-P-C4' energy: -53.044 flat angles P-C4'-P energy: -27.224 tors. eta vs tors. theta energy: 12.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1049.600159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.600159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.600159 (E_RNA) where: Base-Base interactions energy: -719.658 where: short stacking energy: -299.162 Base-Backbone interact. energy: -1.850 local terms energy: -328.092157 where: bonds (distance) C4'-P energy: -57.923 bonds (distance) P-C4' energy: -62.209 flat angles C4'-P-C4' energy: -73.356 flat angles P-C4'-P energy: -44.889 tors. eta vs tors. theta energy: -89.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -991.373652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.373652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.373652 (E_RNA) where: Base-Base interactions energy: -677.342 where: short stacking energy: -279.455 Base-Backbone interact. energy: 0.802 local terms energy: -314.834412 where: bonds (distance) C4'-P energy: -62.937 bonds (distance) P-C4' energy: -59.190 flat angles C4'-P-C4' energy: -66.650 flat angles P-C4'-P energy: -50.051 tors. eta vs tors. theta energy: -76.007 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: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1009.483485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.483485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.483485 (E_RNA) where: Base-Base interactions energy: -692.292 where: short stacking energy: -278.774 Base-Backbone interact. energy: -1.129 local terms energy: -316.062159 where: bonds (distance) C4'-P energy: -53.722 bonds (distance) P-C4' energy: -61.061 flat angles C4'-P-C4' energy: -68.255 flat angles P-C4'-P energy: -38.854 tors. eta vs tors. theta energy: -94.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -918.448016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.448016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.448016 (E_RNA) where: Base-Base interactions energy: -607.730 where: short stacking energy: -253.882 Base-Backbone interact. energy: -3.318 local terms energy: -307.399520 where: bonds (distance) C4'-P energy: -55.917 bonds (distance) P-C4' energy: -62.383 flat angles C4'-P-C4' energy: -64.077 flat angles P-C4'-P energy: -38.872 tors. eta vs tors. theta energy: -86.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -845.724783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.724783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.724783 (E_RNA) where: Base-Base interactions energy: -552.886 where: short stacking energy: -259.138 Base-Backbone interact. energy: -1.047 local terms energy: -291.792479 where: bonds (distance) C4'-P energy: -57.356 bonds (distance) P-C4' energy: -45.514 flat angles C4'-P-C4' energy: -62.397 flat angles P-C4'-P energy: -49.413 tors. eta vs tors. theta energy: -77.112 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: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -737.587147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.587147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.587147 (E_RNA) where: Base-Base interactions energy: -471.300 where: short stacking energy: -208.729 Base-Backbone interact. energy: -1.613 local terms energy: -264.674403 where: bonds (distance) C4'-P energy: -57.691 bonds (distance) P-C4' energy: -63.451 flat angles C4'-P-C4' energy: -60.417 flat angles P-C4'-P energy: -29.103 tors. eta vs tors. theta energy: -54.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -594.632776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.632776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.632776 (E_RNA) where: Base-Base interactions energy: -368.565 where: short stacking energy: -174.631 Base-Backbone interact. energy: -1.222 local terms energy: -224.845913 where: bonds (distance) C4'-P energy: -47.594 bonds (distance) P-C4' energy: -50.350 flat angles C4'-P-C4' energy: -58.623 flat angles P-C4'-P energy: -33.878 tors. eta vs tors. theta energy: -34.401 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: 8, replica: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -490.046116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.046116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.046116 (E_RNA) where: Base-Base interactions energy: -275.889 where: short stacking energy: -150.020 Base-Backbone interact. energy: -1.358 local terms energy: -212.799982 where: bonds (distance) C4'-P energy: -51.037 bonds (distance) P-C4' energy: -59.286 flat angles C4'-P-C4' energy: -56.160 flat angles P-C4'-P energy: -28.572 tors. eta vs tors. theta energy: -17.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -463.324600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.324600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.324600 (E_RNA) where: Base-Base interactions energy: -252.482 where: short stacking energy: -115.575 Base-Backbone interact. energy: 0.473 local terms energy: -211.315712 where: bonds (distance) C4'-P energy: -55.224 bonds (distance) P-C4' energy: -51.735 flat angles C4'-P-C4' energy: -58.383 flat angles P-C4'-P energy: -37.810 tors. eta vs tors. theta energy: -8.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -265.514173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.514173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.514173 (E_RNA) where: Base-Base interactions energy: -95.126 where: short stacking energy: -83.129 Base-Backbone interact. energy: -0.216 local terms energy: -170.172785 where: bonds (distance) C4'-P energy: -49.105 bonds (distance) P-C4' energy: -45.842 flat angles C4'-P-C4' energy: -44.303 flat angles P-C4'-P energy: -31.790 tors. eta vs tors. theta energy: 0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1064.939586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.939586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.939586 (E_RNA) where: Base-Base interactions energy: -717.875 where: short stacking energy: -299.907 Base-Backbone interact. energy: -2.238 local terms energy: -344.826030 where: bonds (distance) C4'-P energy: -62.196 bonds (distance) P-C4' energy: -65.375 flat angles C4'-P-C4' energy: -74.977 flat angles P-C4'-P energy: -47.785 tors. eta vs tors. theta energy: -94.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1046.051025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.051025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.051025 (E_RNA) where: Base-Base interactions energy: -717.927 where: short stacking energy: -306.926 Base-Backbone interact. energy: -1.123 local terms energy: -327.000643 where: bonds (distance) C4'-P energy: -57.730 bonds (distance) P-C4' energy: -66.249 flat angles C4'-P-C4' energy: -64.575 flat angles P-C4'-P energy: -42.976 tors. eta vs tors. theta energy: -95.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -978.937507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.937507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.937507 (E_RNA) where: Base-Base interactions energy: -660.066 where: short stacking energy: -278.222 Base-Backbone interact. energy: -2.646 local terms energy: -316.225344 where: bonds (distance) C4'-P energy: -51.961 bonds (distance) P-C4' energy: -63.518 flat angles C4'-P-C4' energy: -68.992 flat angles P-C4'-P energy: -47.322 tors. eta vs tors. theta energy: -84.433 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: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -833.936219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.936219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.936219 (E_RNA) where: Base-Base interactions energy: -532.334 where: short stacking energy: -246.827 Base-Backbone interact. energy: -0.268 local terms energy: -301.333988 where: bonds (distance) C4'-P energy: -59.860 bonds (distance) P-C4' energy: -63.878 flat angles C4'-P-C4' energy: -63.496 flat angles P-C4'-P energy: -40.523 tors. eta vs tors. theta energy: -73.577 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: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -877.688303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.688303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.688303 (E_RNA) where: Base-Base interactions energy: -602.672 where: short stacking energy: -265.062 Base-Backbone interact. energy: 2.487 local terms energy: -277.502870 where: bonds (distance) C4'-P energy: -52.165 bonds (distance) P-C4' energy: -59.498 flat angles C4'-P-C4' energy: -60.345 flat angles P-C4'-P energy: -30.032 tors. eta vs tors. theta energy: -75.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -737.205354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.205354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.205354 (E_RNA) where: Base-Base interactions energy: -466.679 where: short stacking energy: -219.327 Base-Backbone interact. energy: -0.180 local terms energy: -270.346435 where: bonds (distance) C4'-P energy: -57.552 bonds (distance) P-C4' energy: -51.854 flat angles C4'-P-C4' energy: -65.530 flat angles P-C4'-P energy: -36.907 tors. eta vs tors. theta energy: -58.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -521.286338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.286338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.286338 (E_RNA) where: Base-Base interactions energy: -291.257 where: short stacking energy: -162.358 Base-Backbone interact. energy: -0.969 local terms energy: -229.059955 where: bonds (distance) C4'-P energy: -60.913 bonds (distance) P-C4' energy: -65.983 flat angles C4'-P-C4' energy: -52.979 flat angles P-C4'-P energy: -22.202 tors. eta vs tors. theta energy: -26.984 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: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -502.579883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.579883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.579883 (E_RNA) where: Base-Base interactions energy: -294.649 where: short stacking energy: -157.422 Base-Backbone interact. energy: 0.193 local terms energy: -208.123305 where: bonds (distance) C4'-P energy: -45.584 bonds (distance) P-C4' energy: -51.465 flat angles C4'-P-C4' energy: -51.736 flat angles P-C4'-P energy: -35.052 tors. eta vs tors. theta energy: -24.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -435.988540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.988540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.988540 (E_RNA) where: Base-Base interactions energy: -244.942 where: short stacking energy: -142.912 Base-Backbone interact. energy: -1.373 local terms energy: -189.673402 where: bonds (distance) C4'-P energy: -50.017 bonds (distance) P-C4' energy: -43.855 flat angles C4'-P-C4' energy: -52.502 flat angles P-C4'-P energy: -25.567 tors. eta vs tors. theta energy: -17.732 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: 3 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -245.428646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.428646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.428646 (E_RNA) where: Base-Base interactions energy: -75.312 where: short stacking energy: -61.837 Base-Backbone interact. energy: -2.263 local terms energy: -167.853816 where: bonds (distance) C4'-P energy: -53.389 bonds (distance) P-C4' energy: -55.519 flat angles C4'-P-C4' energy: -45.046 flat angles P-C4'-P energy: -28.835 tors. eta vs tors. theta energy: 14.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1089.623896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.623896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.623896 (E_RNA) where: Base-Base interactions energy: -742.808 where: short stacking energy: -305.110 Base-Backbone interact. energy: -1.864 local terms energy: -344.951308 where: bonds (distance) C4'-P energy: -60.442 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -74.710 flat angles P-C4'-P energy: -41.186 tors. eta vs tors. theta energy: -103.304 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: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1072.901893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.901893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.901893 (E_RNA) where: Base-Base interactions energy: -744.069 where: short stacking energy: -318.186 Base-Backbone interact. energy: 3.190 local terms energy: -332.022619 where: bonds (distance) C4'-P energy: -60.241 bonds (distance) P-C4' energy: -63.387 flat angles C4'-P-C4' energy: -67.217 flat angles P-C4'-P energy: -43.702 tors. eta vs tors. theta energy: -97.476 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: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -958.542252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.542252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.542252 (E_RNA) where: Base-Base interactions energy: -648.079 where: short stacking energy: -280.569 Base-Backbone interact. energy: -1.697 local terms energy: -308.766782 where: bonds (distance) C4'-P energy: -54.748 bonds (distance) P-C4' energy: -58.182 flat angles C4'-P-C4' energy: -75.364 flat angles P-C4'-P energy: -42.836 tors. eta vs tors. theta energy: -77.637 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: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -867.818937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.818937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.818937 (E_RNA) where: Base-Base interactions energy: -555.578 where: short stacking energy: -255.025 Base-Backbone interact. energy: -1.174 local terms energy: -311.066231 where: bonds (distance) C4'-P energy: -61.839 bonds (distance) P-C4' energy: -63.452 flat angles C4'-P-C4' energy: -66.254 flat angles P-C4'-P energy: -50.497 tors. eta vs tors. theta energy: -69.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -892.460604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.460604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.460604 (E_RNA) where: Base-Base interactions energy: -608.752 where: short stacking energy: -260.813 Base-Backbone interact. energy: 2.408 local terms energy: -286.116422 where: bonds (distance) C4'-P energy: -50.263 bonds (distance) P-C4' energy: -56.248 flat angles C4'-P-C4' energy: -61.064 flat angles P-C4'-P energy: -44.036 tors. eta vs tors. theta energy: -74.505 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: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -703.533132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.533132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.533132 (E_RNA) where: Base-Base interactions energy: -459.307 where: short stacking energy: -214.328 Base-Backbone interact. energy: -0.417 local terms energy: -243.808520 where: bonds (distance) C4'-P energy: -47.492 bonds (distance) P-C4' energy: -56.943 flat angles C4'-P-C4' energy: -58.266 flat angles P-C4'-P energy: -26.735 tors. eta vs tors. theta energy: -54.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -519.300843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.300843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.300843 (E_RNA) where: Base-Base interactions energy: -298.464 where: short stacking energy: -152.654 Base-Backbone interact. energy: 3.504 local terms energy: -224.341021 where: bonds (distance) C4'-P energy: -55.614 bonds (distance) P-C4' energy: -56.617 flat angles C4'-P-C4' energy: -62.819 flat angles P-C4'-P energy: -27.529 tors. eta vs tors. theta energy: -21.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -461.605852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.605852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.605852 (E_RNA) where: Base-Base interactions energy: -235.755 where: short stacking energy: -118.127 Base-Backbone interact. energy: 0.805 local terms energy: -226.656061 where: bonds (distance) C4'-P energy: -51.962 bonds (distance) P-C4' energy: -61.450 flat angles C4'-P-C4' energy: -61.386 flat angles P-C4'-P energy: -38.578 tors. eta vs tors. theta energy: -13.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -470.658306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.658306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.658306 (E_RNA) where: Base-Base interactions energy: -245.027 where: short stacking energy: -125.367 Base-Backbone interact. energy: -1.230 local terms energy: -224.400510 where: bonds (distance) C4'-P energy: -60.228 bonds (distance) P-C4' energy: -57.812 flat angles C4'-P-C4' energy: -50.500 flat angles P-C4'-P energy: -42.526 tors. eta vs tors. theta energy: -13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -256.291378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.291378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.291378 (E_RNA) where: Base-Base interactions energy: -63.073 where: short stacking energy: -50.755 Base-Backbone interact. energy: -1.770 local terms energy: -191.448597 where: bonds (distance) C4'-P energy: -49.465 bonds (distance) P-C4' energy: -61.476 flat angles C4'-P-C4' energy: -54.336 flat angles P-C4'-P energy: -35.285 tors. eta vs tors. theta energy: 9.114 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: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1051.967415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.967415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.967415 (E_RNA) where: Base-Base interactions energy: -735.307 where: short stacking energy: -292.884 Base-Backbone interact. energy: -4.048 local terms energy: -312.612232 where: bonds (distance) C4'-P energy: -64.922 bonds (distance) P-C4' energy: -55.724 flat angles C4'-P-C4' energy: -62.038 flat angles P-C4'-P energy: -43.803 tors. eta vs tors. theta energy: -86.125 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: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1067.432012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.432012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.432012 (E_RNA) where: Base-Base interactions energy: -719.090 where: short stacking energy: -302.163 Base-Backbone interact. energy: 0.600 local terms energy: -348.941720 where: bonds (distance) C4'-P energy: -63.425 bonds (distance) P-C4' energy: -58.173 flat angles C4'-P-C4' energy: -75.046 flat angles P-C4'-P energy: -55.481 tors. eta vs tors. theta energy: -96.816 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: 3, replica: 1 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -949.683492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.683492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.683492 (E_RNA) where: Base-Base interactions energy: -639.862 where: short stacking energy: -261.344 Base-Backbone interact. energy: -4.151 local terms energy: -305.670624 where: bonds (distance) C4'-P energy: -60.214 bonds (distance) P-C4' energy: -62.638 flat angles C4'-P-C4' energy: -65.745 flat angles P-C4'-P energy: -34.168 tors. eta vs tors. theta energy: -82.906 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: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -895.203246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.203246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.203246 (E_RNA) where: Base-Base interactions energy: -586.763 where: short stacking energy: -244.074 Base-Backbone interact. energy: -2.251 local terms energy: -306.189583 where: bonds (distance) C4'-P energy: -53.234 bonds (distance) P-C4' energy: -63.132 flat angles C4'-P-C4' energy: -65.570 flat angles P-C4'-P energy: -38.136 tors. eta vs tors. theta energy: -86.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -816.912799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.912799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.912799 (E_RNA) where: Base-Base interactions energy: -528.637 where: short stacking energy: -229.454 Base-Backbone interact. energy: -1.151 local terms energy: -287.124724 where: bonds (distance) C4'-P energy: -60.315 bonds (distance) P-C4' energy: -63.227 flat angles C4'-P-C4' energy: -60.388 flat angles P-C4'-P energy: -43.792 tors. eta vs tors. theta energy: -59.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -735.355400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.355400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.355400 (E_RNA) where: Base-Base interactions energy: -469.800 where: short stacking energy: -223.052 Base-Backbone interact. energy: -0.363 local terms energy: -265.192274 where: bonds (distance) C4'-P energy: -57.636 bonds (distance) P-C4' energy: -56.106 flat angles C4'-P-C4' energy: -58.418 flat angles P-C4'-P energy: -41.143 tors. eta vs tors. theta energy: -51.889 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: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -534.990112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.990112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.990112 (E_RNA) where: Base-Base interactions energy: -299.860 where: short stacking energy: -170.111 Base-Backbone interact. energy: 0.417 local terms energy: -235.546983 where: bonds (distance) C4'-P energy: -60.124 bonds (distance) P-C4' energy: -55.529 flat angles C4'-P-C4' energy: -53.465 flat angles P-C4'-P energy: -29.260 tors. eta vs tors. theta energy: -37.168 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: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -488.888190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.888190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.888190 (E_RNA) where: Base-Base interactions energy: -273.685 where: short stacking energy: -144.250 Base-Backbone interact. energy: -0.377 local terms energy: -214.825967 where: bonds (distance) C4'-P energy: -50.964 bonds (distance) P-C4' energy: -61.756 flat angles C4'-P-C4' energy: -47.346 flat angles P-C4'-P energy: -30.036 tors. eta vs tors. theta energy: -24.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -442.922458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.922458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.922458 (E_RNA) where: Base-Base interactions energy: -248.238 where: short stacking energy: -118.465 Base-Backbone interact. energy: 2.732 local terms energy: -197.416318 where: bonds (distance) C4'-P energy: -55.226 bonds (distance) P-C4' energy: -46.877 flat angles C4'-P-C4' energy: -52.670 flat angles P-C4'-P energy: -34.560 tors. eta vs tors. theta energy: -8.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -274.649029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.649029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.649029 (E_RNA) where: Base-Base interactions energy: -92.498 where: short stacking energy: -75.474 Base-Backbone interact. energy: 0.737 local terms energy: -182.888248 where: bonds (distance) C4'-P energy: -54.670 bonds (distance) P-C4' energy: -56.640 flat angles C4'-P-C4' energy: -52.566 flat angles P-C4'-P energy: -27.204 tors. eta vs tors. theta energy: 8.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1072.954653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.954653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.954653 (E_RNA) where: Base-Base interactions energy: -726.580 where: short stacking energy: -302.636 Base-Backbone interact. energy: -1.918 local terms energy: -344.457442 where: bonds (distance) C4'-P energy: -69.111 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -73.995 flat angles P-C4'-P energy: -46.811 tors. eta vs tors. theta energy: -90.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1050.229861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.229861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.229861 (E_RNA) where: Base-Base interactions energy: -705.742 where: short stacking energy: -317.434 Base-Backbone interact. energy: -1.302 local terms energy: -343.185615 where: bonds (distance) C4'-P energy: -53.827 bonds (distance) P-C4' energy: -65.707 flat angles C4'-P-C4' energy: -72.732 flat angles P-C4'-P energy: -48.682 tors. eta vs tors. theta energy: -102.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -968.186898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.186898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.186898 (E_RNA) where: Base-Base interactions energy: -652.144 where: short stacking energy: -265.270 Base-Backbone interact. energy: -1.703 local terms energy: -314.339546 where: bonds (distance) C4'-P energy: -58.941 bonds (distance) P-C4' energy: -62.645 flat angles C4'-P-C4' energy: -62.447 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -81.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -930.483336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.483336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.483336 (E_RNA) where: Base-Base interactions energy: -613.312 where: short stacking energy: -266.692 Base-Backbone interact. energy: 0.757 local terms energy: -317.928430 where: bonds (distance) C4'-P energy: -69.673 bonds (distance) P-C4' energy: -59.849 flat angles C4'-P-C4' energy: -66.611 flat angles P-C4'-P energy: -41.380 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: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -792.131696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.131696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.131696 (E_RNA) where: Base-Base interactions energy: -517.101 where: short stacking energy: -219.230 Base-Backbone interact. energy: -0.428 local terms energy: -274.602307 where: bonds (distance) C4'-P energy: -55.226 bonds (distance) P-C4' energy: -57.676 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -37.732 tors. eta vs tors. theta energy: -55.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -736.616096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.616096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.616096 (E_RNA) where: Base-Base interactions energy: -463.645 where: short stacking energy: -212.748 Base-Backbone interact. energy: -3.399 local terms energy: -269.572179 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -58.314 flat angles C4'-P-C4' energy: -59.690 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: -55.886 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: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -513.754650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.754650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.754650 (E_RNA) where: Base-Base interactions energy: -317.889 where: short stacking energy: -160.889 Base-Backbone interact. energy: -0.773 local terms energy: -195.092698 where: bonds (distance) C4'-P energy: -38.929 bonds (distance) P-C4' energy: -54.541 flat angles C4'-P-C4' energy: -51.562 flat angles P-C4'-P energy: -27.433 tors. eta vs tors. theta energy: -22.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -442.423132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.423132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.423132 (E_RNA) where: Base-Base interactions energy: -243.957 where: short stacking energy: -124.642 Base-Backbone interact. energy: 3.704 local terms energy: -202.169935 where: bonds (distance) C4'-P energy: -54.082 bonds (distance) P-C4' energy: -56.445 flat angles C4'-P-C4' energy: -46.809 flat angles P-C4'-P energy: -28.871 tors. eta vs tors. theta energy: -15.964 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: 9, replica: 6 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -480.681632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.681632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.681632 (E_RNA) where: Base-Base interactions energy: -265.797 where: short stacking energy: -134.207 Base-Backbone interact. energy: 2.713 local terms energy: -217.597812 where: bonds (distance) C4'-P energy: -49.623 bonds (distance) P-C4' energy: -60.492 flat angles C4'-P-C4' energy: -59.045 flat angles P-C4'-P energy: -33.074 tors. eta vs tors. theta energy: -15.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -257.413510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.413510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.413510 (E_RNA) where: Base-Base interactions energy: -95.672 where: short stacking energy: -80.529 Base-Backbone interact. energy: 2.396 local terms energy: -164.137754 where: bonds (distance) C4'-P energy: -57.879 bonds (distance) P-C4' energy: -49.270 flat angles C4'-P-C4' energy: -33.804 flat angles P-C4'-P energy: -26.743 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: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1079.614199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.614199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.614199 (E_RNA) where: Base-Base interactions energy: -733.794 where: short stacking energy: -284.432 Base-Backbone interact. energy: -2.405 local terms energy: -343.415194 where: bonds (distance) C4'-P energy: -71.424 bonds (distance) P-C4' energy: -65.953 flat angles C4'-P-C4' energy: -75.636 flat angles P-C4'-P energy: -44.898 tors. eta vs tors. theta energy: -85.504 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: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -989.908986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.908986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.908986 (E_RNA) where: Base-Base interactions energy: -658.714 where: short stacking energy: -285.495 Base-Backbone interact. energy: 1.822 local terms energy: -333.016896 where: bonds (distance) C4'-P energy: -62.073 bonds (distance) P-C4' energy: -67.374 flat angles C4'-P-C4' energy: -66.573 flat angles P-C4'-P energy: -44.578 tors. eta vs tors. theta energy: -92.420 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: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -972.805338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.805338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.805338 (E_RNA) where: Base-Base interactions energy: -665.914 where: short stacking energy: -279.638 Base-Backbone interact. energy: 0.150 local terms energy: -307.040949 where: bonds (distance) C4'-P energy: -60.641 bonds (distance) P-C4' energy: -57.858 flat angles C4'-P-C4' energy: -58.873 flat angles P-C4'-P energy: -44.247 tors. eta vs tors. theta energy: -85.421 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: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -928.343850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.343850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.343850 (E_RNA) where: Base-Base interactions energy: -602.787 where: short stacking energy: -258.793 Base-Backbone interact. energy: -2.678 local terms energy: -322.878388 where: bonds (distance) C4'-P energy: -59.163 bonds (distance) P-C4' energy: -65.932 flat angles C4'-P-C4' energy: -77.195 flat angles P-C4'-P energy: -39.400 tors. eta vs tors. theta energy: -81.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -811.560596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.560596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.560596 (E_RNA) where: Base-Base interactions energy: -528.437 where: short stacking energy: -226.174 Base-Backbone interact. energy: -0.456 local terms energy: -282.667456 where: bonds (distance) C4'-P energy: -64.235 bonds (distance) P-C4' energy: -63.239 flat angles C4'-P-C4' energy: -59.741 flat angles P-C4'-P energy: -35.970 tors. eta vs tors. theta energy: -59.483 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: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -734.164967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.164967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.164967 (E_RNA) where: Base-Base interactions energy: -486.073 where: short stacking energy: -228.478 Base-Backbone interact. energy: -1.958 local terms energy: -246.133744 where: bonds (distance) C4'-P energy: -50.262 bonds (distance) P-C4' energy: -47.892 flat angles C4'-P-C4' energy: -63.049 flat angles P-C4'-P energy: -31.109 tors. eta vs tors. theta energy: -53.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -533.362058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.362058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.362058 (E_RNA) where: Base-Base interactions energy: -303.803 where: short stacking energy: -173.510 Base-Backbone interact. energy: 0.171 local terms energy: -229.730508 where: bonds (distance) C4'-P energy: -48.350 bonds (distance) P-C4' energy: -65.393 flat angles C4'-P-C4' energy: -57.098 flat angles P-C4'-P energy: -35.210 tors. eta vs tors. theta energy: -23.680 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: 6 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -480.148257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.148257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.148257 (E_RNA) where: Base-Base interactions energy: -259.459 where: short stacking energy: -144.340 Base-Backbone interact. energy: -1.119 local terms energy: -219.570191 where: bonds (distance) C4'-P energy: -52.624 bonds (distance) P-C4' energy: -58.947 flat angles C4'-P-C4' energy: -61.049 flat angles P-C4'-P energy: -26.892 tors. eta vs tors. theta energy: -20.058 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: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -448.327102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.327102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.327102 (E_RNA) where: Base-Base interactions energy: -245.988 where: short stacking energy: -126.196 Base-Backbone interact. energy: -0.256 local terms energy: -202.083583 where: bonds (distance) C4'-P energy: -56.807 bonds (distance) P-C4' energy: -55.208 flat angles C4'-P-C4' energy: -49.113 flat angles P-C4'-P energy: -31.435 tors. eta vs tors. theta energy: -9.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -273.435337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.435337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.435337 (E_RNA) where: Base-Base interactions energy: -97.584 where: short stacking energy: -75.043 Base-Backbone interact. energy: 1.868 local terms energy: -177.719398 where: bonds (distance) C4'-P energy: -44.773 bonds (distance) P-C4' energy: -60.127 flat angles C4'-P-C4' energy: -52.905 flat angles P-C4'-P energy: -21.215 tors. eta vs tors. theta energy: 1.300 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: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1059.600937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.600937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.600937 (E_RNA) where: Base-Base interactions energy: -730.391 where: short stacking energy: -280.719 Base-Backbone interact. energy: -4.292 local terms energy: -324.917580 where: bonds (distance) C4'-P energy: -59.057 bonds (distance) P-C4' energy: -72.230 flat angles C4'-P-C4' energy: -64.833 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -85.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1019.984449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.984449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.984449 (E_RNA) where: Base-Base interactions energy: -690.170 where: short stacking energy: -305.855 Base-Backbone interact. energy: -1.178 local terms energy: -328.636381 where: bonds (distance) C4'-P energy: -55.457 bonds (distance) P-C4' energy: -59.136 flat angles C4'-P-C4' energy: -63.537 flat angles P-C4'-P energy: -53.301 tors. eta vs tors. theta energy: -97.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -965.699922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.699922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.699922 (E_RNA) where: Base-Base interactions energy: -648.323 where: short stacking energy: -264.966 Base-Backbone interact. energy: -2.448 local terms energy: -314.929439 where: bonds (distance) C4'-P energy: -67.497 bonds (distance) P-C4' energy: -65.340 flat angles C4'-P-C4' energy: -65.882 flat angles P-C4'-P energy: -35.524 tors. eta vs tors. theta energy: -80.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -903.187977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.187977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.187977 (E_RNA) where: Base-Base interactions energy: -591.812 where: short stacking energy: -260.418 Base-Backbone interact. energy: -1.085 local terms energy: -310.291045 where: bonds (distance) C4'-P energy: -45.516 bonds (distance) P-C4' energy: -69.596 flat angles C4'-P-C4' energy: -68.946 flat angles P-C4'-P energy: -42.592 tors. eta vs tors. theta energy: -83.641 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: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -797.370085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.370085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.370085 (E_RNA) where: Base-Base interactions energy: -522.284 where: short stacking energy: -249.268 Base-Backbone interact. energy: -1.412 local terms energy: -273.674429 where: bonds (distance) C4'-P energy: -48.500 bonds (distance) P-C4' energy: -58.401 flat angles C4'-P-C4' energy: -51.584 flat angles P-C4'-P energy: -43.165 tors. eta vs tors. theta energy: -72.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -737.790022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.790022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.790022 (E_RNA) where: Base-Base interactions energy: -449.032 where: short stacking energy: -213.754 Base-Backbone interact. energy: -0.460 local terms energy: -288.298921 where: bonds (distance) C4'-P energy: -65.923 bonds (distance) P-C4' energy: -62.296 flat angles C4'-P-C4' energy: -65.497 flat angles P-C4'-P energy: -40.352 tors. eta vs tors. theta energy: -54.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -576.474494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.474494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.474494 (E_RNA) where: Base-Base interactions energy: -323.250 where: short stacking energy: -160.893 Base-Backbone interact. energy: -1.249 local terms energy: -251.975692 where: bonds (distance) C4'-P energy: -58.733 bonds (distance) P-C4' energy: -59.536 flat angles C4'-P-C4' energy: -63.077 flat angles P-C4'-P energy: -43.721 tors. eta vs tors. theta energy: -26.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -466.485000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.485000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.485000 (E_RNA) where: Base-Base interactions energy: -262.231 where: short stacking energy: -139.976 Base-Backbone interact. energy: 0.736 local terms energy: -204.990395 where: bonds (distance) C4'-P energy: -47.261 bonds (distance) P-C4' energy: -49.694 flat angles C4'-P-C4' energy: -48.672 flat angles P-C4'-P energy: -38.891 tors. eta vs tors. theta energy: -20.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -462.020579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.020579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.020579 (E_RNA) where: Base-Base interactions energy: -239.490 where: short stacking energy: -131.169 Base-Backbone interact. energy: 1.086 local terms energy: -223.616901 where: bonds (distance) C4'-P energy: -44.958 bonds (distance) P-C4' energy: -63.901 flat angles C4'-P-C4' energy: -56.030 flat angles P-C4'-P energy: -32.622 tors. eta vs tors. theta energy: -26.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -251.997999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.997999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.997999 (E_RNA) where: Base-Base interactions energy: -94.753 where: short stacking energy: -69.594 Base-Backbone interact. energy: -2.140 local terms energy: -155.104756 where: bonds (distance) C4'-P energy: -57.487 bonds (distance) P-C4' energy: -40.598 flat angles C4'-P-C4' energy: -37.989 flat angles P-C4'-P energy: -26.761 tors. eta vs tors. theta energy: 7.730 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: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1063.233252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.233252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.233252 (E_RNA) where: Base-Base interactions energy: -728.159 where: short stacking energy: -301.457 Base-Backbone interact. energy: -1.621 local terms energy: -333.453336 where: bonds (distance) C4'-P energy: -58.871 bonds (distance) P-C4' energy: -60.709 flat angles C4'-P-C4' energy: -76.192 flat angles P-C4'-P energy: -52.788 tors. eta vs tors. theta energy: -84.892 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: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1013.579873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.579873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.579873 (E_RNA) where: Base-Base interactions energy: -688.844 where: short stacking energy: -301.953 Base-Backbone interact. energy: -1.637 local terms energy: -323.098616 where: bonds (distance) C4'-P energy: -66.306 bonds (distance) P-C4' energy: -48.292 flat angles C4'-P-C4' energy: -68.544 flat angles P-C4'-P energy: -41.798 tors. eta vs tors. theta energy: -98.158 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: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -942.546859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.546859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.546859 (E_RNA) where: Base-Base interactions energy: -622.918 where: short stacking energy: -277.295 Base-Backbone interact. energy: -1.228 local terms energy: -318.400800 where: bonds (distance) C4'-P energy: -60.760 bonds (distance) P-C4' energy: -58.387 flat angles C4'-P-C4' energy: -70.124 flat angles P-C4'-P energy: -47.501 tors. eta vs tors. theta energy: -81.628 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: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -863.377006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.377006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.377006 (E_RNA) where: Base-Base interactions energy: -572.243 where: short stacking energy: -239.220 Base-Backbone interact. energy: -1.384 local terms energy: -289.749470 where: bonds (distance) C4'-P energy: -52.509 bonds (distance) P-C4' energy: -68.933 flat angles C4'-P-C4' energy: -61.527 flat angles P-C4'-P energy: -31.547 tors. eta vs tors. theta energy: -75.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -760.798340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.798340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.798340 (E_RNA) where: Base-Base interactions energy: -497.626 where: short stacking energy: -218.161 Base-Backbone interact. energy: 0.237 local terms energy: -263.409254 where: bonds (distance) C4'-P energy: -57.455 bonds (distance) P-C4' energy: -55.382 flat angles C4'-P-C4' energy: -62.473 flat angles P-C4'-P energy: -30.234 tors. eta vs tors. theta energy: -57.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -696.612411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.612411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.612411 (E_RNA) where: Base-Base interactions energy: -431.329 where: short stacking energy: -188.943 Base-Backbone interact. energy: -1.430 local terms energy: -263.853121 where: bonds (distance) C4'-P energy: -53.142 bonds (distance) P-C4' energy: -64.117 flat angles C4'-P-C4' energy: -54.866 flat angles P-C4'-P energy: -35.123 tors. eta vs tors. theta energy: -56.606 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: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -563.423647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.423647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.423647 (E_RNA) where: Base-Base interactions energy: -334.576 where: short stacking energy: -165.865 Base-Backbone interact. energy: -1.086 local terms energy: -227.761693 where: bonds (distance) C4'-P energy: -55.157 bonds (distance) P-C4' energy: -60.770 flat angles C4'-P-C4' energy: -39.234 flat angles P-C4'-P energy: -31.875 tors. eta vs tors. theta energy: -40.726 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: 8, replica: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -500.213662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.213662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.213662 (E_RNA) where: Base-Base interactions energy: -283.951 where: short stacking energy: -146.417 Base-Backbone interact. energy: -1.566 local terms energy: -214.696319 where: bonds (distance) C4'-P energy: -64.752 bonds (distance) P-C4' energy: -49.012 flat angles C4'-P-C4' energy: -58.556 flat angles P-C4'-P energy: -24.428 tors. eta vs tors. theta energy: -17.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -495.935961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.935961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.935961 (E_RNA) where: Base-Base interactions energy: -293.358 where: short stacking energy: -133.102 Base-Backbone interact. energy: 0.879 local terms energy: -203.457057 where: bonds (distance) C4'-P energy: -51.062 bonds (distance) P-C4' energy: -57.034 flat angles C4'-P-C4' energy: -57.848 flat angles P-C4'-P energy: -25.446 tors. eta vs tors. theta energy: -12.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -262.897786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.897786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.897786 (E_RNA) where: Base-Base interactions energy: -94.022 where: short stacking energy: -80.021 Base-Backbone interact. energy: -1.503 local terms energy: -167.373489 where: bonds (distance) C4'-P energy: -57.177 bonds (distance) P-C4' energy: -47.696 flat angles C4'-P-C4' energy: -53.462 flat angles P-C4'-P energy: -18.992 tors. eta vs tors. theta energy: 9.953 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: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1051.868849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.868849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.868849 (E_RNA) where: Base-Base interactions energy: -703.956 where: short stacking energy: -296.250 Base-Backbone interact. energy: -1.693 local terms energy: -346.220124 where: bonds (distance) C4'-P energy: -53.424 bonds (distance) P-C4' energy: -67.369 flat angles C4'-P-C4' energy: -74.694 flat angles P-C4'-P energy: -52.650 tors. eta vs tors. theta energy: -98.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1006.465058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.465058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.465058 (E_RNA) where: Base-Base interactions energy: -675.388 where: short stacking energy: -291.677 Base-Backbone interact. energy: -1.200 local terms energy: -329.877972 where: bonds (distance) C4'-P energy: -67.402 bonds (distance) P-C4' energy: -58.635 flat angles C4'-P-C4' energy: -66.315 flat angles P-C4'-P energy: -49.973 tors. eta vs tors. theta energy: -87.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -956.818421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.818421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.818421 (E_RNA) where: Base-Base interactions energy: -626.771 where: short stacking energy: -271.234 Base-Backbone interact. energy: -2.822 local terms energy: -327.225428 where: bonds (distance) C4'-P energy: -67.695 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -70.955 flat angles P-C4'-P energy: -46.516 tors. eta vs tors. theta energy: -80.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -856.725985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.725985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.725985 (E_RNA) where: Base-Base interactions energy: -569.006 where: short stacking energy: -236.801 Base-Backbone interact. energy: 0.336 local terms energy: -288.056702 where: bonds (distance) C4'-P energy: -52.029 bonds (distance) P-C4' energy: -52.373 flat angles C4'-P-C4' energy: -69.221 flat angles P-C4'-P energy: -32.828 tors. eta vs tors. theta energy: -81.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -838.554716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.554716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.554716 (E_RNA) where: Base-Base interactions energy: -575.467 where: short stacking energy: -251.706 Base-Backbone interact. energy: -2.103 local terms energy: -260.984622 where: bonds (distance) C4'-P energy: -51.198 bonds (distance) P-C4' energy: -52.546 flat angles C4'-P-C4' energy: -61.826 flat angles P-C4'-P energy: -28.076 tors. eta vs tors. theta energy: -67.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -727.785170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.785170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.785170 (E_RNA) where: Base-Base interactions energy: -462.114 where: short stacking energy: -218.931 Base-Backbone interact. energy: -3.012 local terms energy: -262.659303 where: bonds (distance) C4'-P energy: -56.026 bonds (distance) P-C4' energy: -55.240 flat angles C4'-P-C4' energy: -48.667 flat angles P-C4'-P energy: -39.847 tors. eta vs tors. theta energy: -62.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -569.778108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.778108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.778108 (E_RNA) where: Base-Base interactions energy: -330.978 where: short stacking energy: -171.152 Base-Backbone interact. energy: 3.684 local terms energy: -242.484908 where: bonds (distance) C4'-P energy: -55.129 bonds (distance) P-C4' energy: -63.053 flat angles C4'-P-C4' energy: -47.145 flat angles P-C4'-P energy: -51.247 tors. eta vs tors. theta energy: -25.911 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: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -523.863586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.863586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.863586 (E_RNA) where: Base-Base interactions energy: -303.390 where: short stacking energy: -152.731 Base-Backbone interact. energy: 3.723 local terms energy: -224.197046 where: bonds (distance) C4'-P energy: -54.326 bonds (distance) P-C4' energy: -56.090 flat angles C4'-P-C4' energy: -52.898 flat angles P-C4'-P energy: -34.718 tors. eta vs tors. theta energy: -26.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -467.024484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.024484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.024484 (E_RNA) where: Base-Base interactions energy: -262.960 where: short stacking energy: -126.432 Base-Backbone interact. energy: 0.727 local terms energy: -204.792047 where: bonds (distance) C4'-P energy: -52.686 bonds (distance) P-C4' energy: -57.380 flat angles C4'-P-C4' energy: -42.443 flat angles P-C4'-P energy: -28.593 tors. eta vs tors. theta energy: -23.690 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: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -280.385356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.385356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.385356 (E_RNA) where: Base-Base interactions energy: -107.151 where: short stacking energy: -62.489 Base-Backbone interact. energy: 0.573 local terms energy: -173.807768 where: bonds (distance) C4'-P energy: -41.299 bonds (distance) P-C4' energy: -54.882 flat angles C4'-P-C4' energy: -58.814 flat angles P-C4'-P energy: -27.372 tors. eta vs tors. theta energy: 8.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1057.270446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.270446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.270446 (E_RNA) where: Base-Base interactions energy: -717.548 where: short stacking energy: -322.862 Base-Backbone interact. energy: -0.938 local terms energy: -338.784645 where: bonds (distance) C4'-P energy: -50.658 bonds (distance) P-C4' energy: -63.113 flat angles C4'-P-C4' energy: -75.065 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: -102.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1010.686532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.686532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.686532 (E_RNA) where: Base-Base interactions energy: -667.086 where: short stacking energy: -292.498 Base-Backbone interact. energy: -1.722 local terms energy: -341.878634 where: bonds (distance) C4'-P energy: -68.290 bonds (distance) P-C4' energy: -68.956 flat angles C4'-P-C4' energy: -70.584 flat angles P-C4'-P energy: -43.364 tors. eta vs tors. theta energy: -90.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -932.674687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.674687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.674687 (E_RNA) where: Base-Base interactions energy: -639.598 where: short stacking energy: -271.949 Base-Backbone interact. energy: -0.272 local terms energy: -292.804680 where: bonds (distance) C4'-P energy: -49.736 bonds (distance) P-C4' energy: -59.300 flat angles C4'-P-C4' energy: -61.555 flat angles P-C4'-P energy: -40.093 tors. eta vs tors. theta energy: -82.121 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: 157 Temperature: 1.050000 Total energy: -875.725382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.725382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.725382 (E_RNA) where: Base-Base interactions energy: -583.706 where: short stacking energy: -258.057 Base-Backbone interact. energy: 1.670 local terms energy: -293.689506 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -63.318 flat angles C4'-P-C4' energy: -57.490 flat angles P-C4'-P energy: -38.607 tors. eta vs tors. theta energy: -75.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -819.196879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.196879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.196879 (E_RNA) where: Base-Base interactions energy: -538.265 where: short stacking energy: -249.300 Base-Backbone interact. energy: -0.077 local terms energy: -280.855083 where: bonds (distance) C4'-P energy: -57.087 bonds (distance) P-C4' energy: -53.284 flat angles C4'-P-C4' energy: -65.947 flat angles P-C4'-P energy: -35.741 tors. eta vs tors. theta energy: -68.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -727.816126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.816126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.816126 (E_RNA) where: Base-Base interactions energy: -475.927 where: short stacking energy: -224.181 Base-Backbone interact. energy: -2.416 local terms energy: -249.472947 where: bonds (distance) C4'-P energy: -57.951 bonds (distance) P-C4' energy: -49.180 flat angles C4'-P-C4' energy: -53.203 flat angles P-C4'-P energy: -29.008 tors. eta vs tors. theta energy: -60.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -542.700052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.700052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.700052 (E_RNA) where: Base-Base interactions energy: -307.957 where: short stacking energy: -149.775 Base-Backbone interact. energy: 1.765 local terms energy: -236.507696 where: bonds (distance) C4'-P energy: -49.174 bonds (distance) P-C4' energy: -61.187 flat angles C4'-P-C4' energy: -57.285 flat angles P-C4'-P energy: -42.620 tors. eta vs tors. theta energy: -26.242 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: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -477.170057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.170057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.170057 (E_RNA) where: Base-Base interactions energy: -263.073 where: short stacking energy: -141.044 Base-Backbone interact. energy: -1.045 local terms energy: -213.052092 where: bonds (distance) C4'-P energy: -54.528 bonds (distance) P-C4' energy: -51.307 flat angles C4'-P-C4' energy: -48.609 flat angles P-C4'-P energy: -33.878 tors. eta vs tors. theta energy: -24.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -424.061040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.061040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.061040 (E_RNA) where: Base-Base interactions energy: -240.216 where: short stacking energy: -117.832 Base-Backbone interact. energy: 1.137 local terms energy: -184.982053 where: bonds (distance) C4'-P energy: -42.274 bonds (distance) P-C4' energy: -62.831 flat angles C4'-P-C4' energy: -47.372 flat angles P-C4'-P energy: -34.955 tors. eta vs tors. theta energy: 2.450 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: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -254.984568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.984568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.984568 (E_RNA) where: Base-Base interactions energy: -87.174 where: short stacking energy: -63.149 Base-Backbone interact. energy: 0.677 local terms energy: -168.488228 where: bonds (distance) C4'-P energy: -49.777 bonds (distance) P-C4' energy: -48.297 flat angles C4'-P-C4' energy: -43.667 flat angles P-C4'-P energy: -24.838 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1082.689929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.689929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.689929 (E_RNA) where: Base-Base interactions energy: -730.814 where: short stacking energy: -318.737 Base-Backbone interact. energy: -2.265 local terms energy: -349.610848 where: bonds (distance) C4'-P energy: -58.388 bonds (distance) P-C4' energy: -71.256 flat angles C4'-P-C4' energy: -68.977 flat angles P-C4'-P energy: -51.506 tors. eta vs tors. theta energy: -99.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -988.482762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.482762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.482762 (E_RNA) where: Base-Base interactions energy: -669.247 where: short stacking energy: -282.040 Base-Backbone interact. energy: -4.020 local terms energy: -315.215751 where: bonds (distance) C4'-P energy: -57.863 bonds (distance) P-C4' energy: -63.586 flat angles C4'-P-C4' energy: -63.064 flat angles P-C4'-P energy: -50.781 tors. eta vs tors. theta energy: -79.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -940.817967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.817967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.817967 (E_RNA) where: Base-Base interactions energy: -631.746 where: short stacking energy: -277.176 Base-Backbone interact. energy: -1.598 local terms energy: -307.474033 where: bonds (distance) C4'-P energy: -65.031 bonds (distance) P-C4' energy: -52.997 flat angles C4'-P-C4' energy: -66.295 flat angles P-C4'-P energy: -40.059 tors. eta vs tors. theta energy: -83.092 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: 158 Temperature: 1.050000 Total energy: -887.252374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.252374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.252374 (E_RNA) where: Base-Base interactions energy: -610.422 where: short stacking energy: -254.341 Base-Backbone interact. energy: 0.481 local terms energy: -277.311189 where: bonds (distance) C4'-P energy: -48.908 bonds (distance) P-C4' energy: -56.294 flat angles C4'-P-C4' energy: -71.077 flat angles P-C4'-P energy: -33.956 tors. eta vs tors. theta energy: -67.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -819.331145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.331145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.331145 (E_RNA) where: Base-Base interactions energy: -546.158 where: short stacking energy: -240.760 Base-Backbone interact. energy: -1.480 local terms energy: -271.693081 where: bonds (distance) C4'-P energy: -47.551 bonds (distance) P-C4' energy: -50.766 flat angles C4'-P-C4' energy: -59.474 flat angles P-C4'-P energy: -45.312 tors. eta vs tors. theta energy: -68.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -644.492728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.492728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.492728 (E_RNA) where: Base-Base interactions energy: -399.284 where: short stacking energy: -188.669 Base-Backbone interact. energy: -0.462 local terms energy: -244.746902 where: bonds (distance) C4'-P energy: -62.789 bonds (distance) P-C4' energy: -50.017 flat angles C4'-P-C4' energy: -50.651 flat angles P-C4'-P energy: -40.631 tors. eta vs tors. theta energy: -40.658 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: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -537.362745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.362745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.362745 (E_RNA) where: Base-Base interactions energy: -302.384 where: short stacking energy: -162.871 Base-Backbone interact. energy: -1.276 local terms energy: -233.702936 where: bonds (distance) C4'-P energy: -53.992 bonds (distance) P-C4' energy: -62.368 flat angles C4'-P-C4' energy: -51.090 flat angles P-C4'-P energy: -31.323 tors. eta vs tors. theta energy: -34.929 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: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -498.682098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.682098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.682098 (E_RNA) where: Base-Base interactions energy: -273.265 where: short stacking energy: -146.865 Base-Backbone interact. energy: 0.102 local terms energy: -225.519498 where: bonds (distance) C4'-P energy: -49.410 bonds (distance) P-C4' energy: -50.304 flat angles C4'-P-C4' energy: -56.316 flat angles P-C4'-P energy: -45.276 tors. eta vs tors. theta energy: -24.213 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: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -439.440025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.440025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.440025 (E_RNA) where: Base-Base interactions energy: -224.205 where: short stacking energy: -112.695 Base-Backbone interact. energy: -0.327 local terms energy: -214.908170 where: bonds (distance) C4'-P energy: -57.077 bonds (distance) P-C4' energy: -60.223 flat angles C4'-P-C4' energy: -45.981 flat angles P-C4'-P energy: -33.511 tors. eta vs tors. theta energy: -18.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -288.210542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.210542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.210542 (E_RNA) where: Base-Base interactions energy: -103.411 where: short stacking energy: -76.872 Base-Backbone interact. energy: -2.149 local terms energy: -182.650422 where: bonds (distance) C4'-P energy: -53.376 bonds (distance) P-C4' energy: -50.873 flat angles C4'-P-C4' energy: -48.518 flat angles P-C4'-P energy: -34.388 tors. eta vs tors. theta energy: 4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1049.741964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.741964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.741964 (E_RNA) where: Base-Base interactions energy: -687.964 where: short stacking energy: -311.135 Base-Backbone interact. energy: -1.216 local terms energy: -360.562764 where: bonds (distance) C4'-P energy: -73.418 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -77.609 flat angles P-C4'-P energy: -48.032 tors. eta vs tors. theta energy: -100.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -993.964097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.964097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.964097 (E_RNA) where: Base-Base interactions energy: -649.708 where: short stacking energy: -273.631 Base-Backbone interact. energy: 0.459 local terms energy: -344.715660 where: bonds (distance) C4'-P energy: -69.261 bonds (distance) P-C4' energy: -68.338 flat angles C4'-P-C4' energy: -63.750 flat angles P-C4'-P energy: -51.644 tors. eta vs tors. theta energy: -91.723 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: 159 Temperature: 1.000000 Total energy: -955.978079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.978079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.978079 (E_RNA) where: Base-Base interactions energy: -636.602 where: short stacking energy: -271.937 Base-Backbone interact. energy: -0.290 local terms energy: -319.085536 where: bonds (distance) C4'-P energy: -63.020 bonds (distance) P-C4' energy: -60.473 flat angles C4'-P-C4' energy: -70.055 flat angles P-C4'-P energy: -48.238 tors. eta vs tors. theta energy: -77.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -913.032318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.032318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.032318 (E_RNA) where: Base-Base interactions energy: -625.177 where: short stacking energy: -259.100 Base-Backbone interact. energy: -0.802 local terms energy: -287.053625 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -45.606 flat angles C4'-P-C4' energy: -68.030 flat angles P-C4'-P energy: -39.078 tors. eta vs tors. theta energy: -75.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -837.701463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.701463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.701463 (E_RNA) where: Base-Base interactions energy: -550.518 where: short stacking energy: -259.659 Base-Backbone interact. energy: 1.254 local terms energy: -288.437662 where: bonds (distance) C4'-P energy: -50.655 bonds (distance) P-C4' energy: -66.749 flat angles C4'-P-C4' energy: -60.300 flat angles P-C4'-P energy: -32.924 tors. eta vs tors. theta energy: -77.809 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: 7 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -664.885084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.885084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.885084 (E_RNA) where: Base-Base interactions energy: -405.682 where: short stacking energy: -186.786 Base-Backbone interact. energy: 5.919 local terms energy: -265.121830 where: bonds (distance) C4'-P energy: -59.566 bonds (distance) P-C4' energy: -53.111 flat angles C4'-P-C4' energy: -59.389 flat angles P-C4'-P energy: -39.715 tors. eta vs tors. theta energy: -53.341 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: 159 Temperature: 1.200000 Total energy: -500.067462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.067462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.067462 (E_RNA) where: Base-Base interactions energy: -282.782 where: short stacking energy: -137.645 Base-Backbone interact. energy: -2.624 local terms energy: -214.661529 where: bonds (distance) C4'-P energy: -54.969 bonds (distance) P-C4' energy: -62.757 flat angles C4'-P-C4' energy: -50.399 flat angles P-C4'-P energy: -30.625 tors. eta vs tors. theta energy: -15.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -506.842493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.842493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.842493 (E_RNA) where: Base-Base interactions energy: -272.883 where: short stacking energy: -150.946 Base-Backbone interact. energy: -0.650 local terms energy: -233.309777 where: bonds (distance) C4'-P energy: -52.470 bonds (distance) P-C4' energy: -62.203 flat angles C4'-P-C4' energy: -52.588 flat angles P-C4'-P energy: -33.286 tors. eta vs tors. theta energy: -32.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -416.288055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.288055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.288055 (E_RNA) where: Base-Base interactions energy: -224.984 where: short stacking energy: -116.196 Base-Backbone interact. energy: -1.352 local terms energy: -189.951744 where: bonds (distance) C4'-P energy: -39.000 bonds (distance) P-C4' energy: -51.581 flat angles C4'-P-C4' energy: -49.263 flat angles P-C4'-P energy: -38.899 tors. eta vs tors. theta energy: -11.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -272.196289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.196289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.196289 (E_RNA) where: Base-Base interactions energy: -95.865 where: short stacking energy: -79.885 Base-Backbone interact. energy: -1.212 local terms energy: -175.119153 where: bonds (distance) C4'-P energy: -45.947 bonds (distance) P-C4' energy: -57.218 flat angles C4'-P-C4' energy: -55.502 flat angles P-C4'-P energy: -26.462 tors. eta vs tors. theta energy: 10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1031.508093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.508093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.508093 (E_RNA) where: Base-Base interactions energy: -703.236 where: short stacking energy: -302.298 Base-Backbone interact. energy: 0.268 local terms energy: -328.540011 where: bonds (distance) C4'-P energy: -63.908 bonds (distance) P-C4' energy: -56.930 flat angles C4'-P-C4' energy: -77.433 flat angles P-C4'-P energy: -45.494 tors. eta vs tors. theta energy: -84.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1022.453088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.453088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.453088 (E_RNA) where: Base-Base interactions energy: -688.874 where: short stacking energy: -314.253 Base-Backbone interact. energy: -0.965 local terms energy: -332.614096 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -54.910 flat angles C4'-P-C4' energy: -69.956 flat angles P-C4'-P energy: -48.707 tors. eta vs tors. theta energy: -100.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -948.916962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.916962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.916962 (E_RNA) where: Base-Base interactions energy: -633.800 where: short stacking energy: -264.902 Base-Backbone interact. energy: -2.796 local terms energy: -312.320700 where: bonds (distance) C4'-P energy: -49.926 bonds (distance) P-C4' energy: -63.520 flat angles C4'-P-C4' energy: -67.598 flat angles P-C4'-P energy: -48.762 tors. eta vs tors. theta energy: -82.515 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: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -889.559617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.559617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.559617 (E_RNA) where: Base-Base interactions energy: -600.425 where: short stacking energy: -256.552 Base-Backbone interact. energy: -1.544 local terms energy: -287.590299 where: bonds (distance) C4'-P energy: -53.841 bonds (distance) P-C4' energy: -60.574 flat angles C4'-P-C4' energy: -62.717 flat angles P-C4'-P energy: -35.838 tors. eta vs tors. theta energy: -74.621 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: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -830.133773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.133773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.133773 (E_RNA) where: Base-Base interactions energy: -556.631 where: short stacking energy: -247.332 Base-Backbone interact. energy: -1.642 local terms energy: -271.861672 where: bonds (distance) C4'-P energy: -48.248 bonds (distance) P-C4' energy: -57.976 flat angles C4'-P-C4' energy: -70.868 flat angles P-C4'-P energy: -34.752 tors. eta vs tors. theta energy: -60.017 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: 6, replica: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -667.987831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.987831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.987831 (E_RNA) where: Base-Base interactions energy: -403.894 where: short stacking energy: -184.335 Base-Backbone interact. energy: 2.779 local terms energy: -266.871942 where: bonds (distance) C4'-P energy: -61.350 bonds (distance) P-C4' energy: -64.260 flat angles C4'-P-C4' energy: -46.305 flat angles P-C4'-P energy: -42.541 tors. eta vs tors. theta energy: -52.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -525.396921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.396921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.396921 (E_RNA) where: Base-Base interactions energy: -305.973 where: short stacking energy: -166.691 Base-Backbone interact. energy: -1.406 local terms energy: -218.017645 where: bonds (distance) C4'-P energy: -45.937 bonds (distance) P-C4' energy: -55.638 flat angles C4'-P-C4' energy: -51.455 flat angles P-C4'-P energy: -37.995 tors. eta vs tors. theta energy: -26.993 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: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -472.448628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.448628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.448628 (E_RNA) where: Base-Base interactions energy: -248.586 where: short stacking energy: -134.035 Base-Backbone interact. energy: -2.601 local terms energy: -221.262083 where: bonds (distance) C4'-P energy: -53.387 bonds (distance) P-C4' energy: -55.456 flat angles C4'-P-C4' energy: -48.403 flat angles P-C4'-P energy: -37.477 tors. eta vs tors. theta energy: -26.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -468.864639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.864639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.864639 (E_RNA) where: Base-Base interactions energy: -257.490 where: short stacking energy: -142.541 Base-Backbone interact. energy: -1.092 local terms energy: -210.281939 where: bonds (distance) C4'-P energy: -48.842 bonds (distance) P-C4' energy: -54.776 flat angles C4'-P-C4' energy: -50.442 flat angles P-C4'-P energy: -33.328 tors. eta vs tors. theta energy: -22.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -263.685497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.685497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.685497 (E_RNA) where: Base-Base interactions energy: -101.125 where: short stacking energy: -62.377 Base-Backbone interact. energy: -1.136 local terms energy: -161.424452 where: bonds (distance) C4'-P energy: -49.601 bonds (distance) P-C4' energy: -59.650 flat angles C4'-P-C4' energy: -49.115 flat angles P-C4'-P energy: -13.028 tors. eta vs tors. theta energy: 9.970 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: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1035.528993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.528993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.528993 (E_RNA) where: Base-Base interactions energy: -704.139 where: short stacking energy: -302.409 Base-Backbone interact. energy: -1.015 local terms energy: -330.375309 where: bonds (distance) C4'-P energy: -60.202 bonds (distance) P-C4' energy: -61.218 flat angles C4'-P-C4' energy: -71.159 flat angles P-C4'-P energy: -48.277 tors. eta vs tors. theta energy: -89.520 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: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1039.966070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.966070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.966070 (E_RNA) where: Base-Base interactions energy: -713.697 where: short stacking energy: -300.440 Base-Backbone interact. energy: -0.278 local terms energy: -325.990641 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -59.376 flat angles C4'-P-C4' energy: -66.759 flat angles P-C4'-P energy: -46.860 tors. eta vs tors. theta energy: -95.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -954.732717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.732717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.732717 (E_RNA) where: Base-Base interactions energy: -646.502 where: short stacking energy: -261.686 Base-Backbone interact. energy: 1.145 local terms energy: -309.375739 where: bonds (distance) C4'-P energy: -57.827 bonds (distance) P-C4' energy: -57.765 flat angles C4'-P-C4' energy: -63.545 flat angles P-C4'-P energy: -51.630 tors. eta vs tors. theta energy: -78.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -907.655353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.655353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.655353 (E_RNA) where: Base-Base interactions energy: -599.931 where: short stacking energy: -255.130 Base-Backbone interact. energy: -2.612 local terms energy: -305.112528 where: bonds (distance) C4'-P energy: -64.248 bonds (distance) P-C4' energy: -63.484 flat angles C4'-P-C4' energy: -73.080 flat angles P-C4'-P energy: -28.486 tors. eta vs tors. theta energy: -75.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -819.419721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.419721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.419721 (E_RNA) where: Base-Base interactions energy: -532.399 where: short stacking energy: -234.555 Base-Backbone interact. energy: 0.715 local terms energy: -287.735526 where: bonds (distance) C4'-P energy: -50.200 bonds (distance) P-C4' energy: -66.912 flat angles C4'-P-C4' energy: -59.310 flat angles P-C4'-P energy: -46.812 tors. eta vs tors. theta energy: -64.503 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: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -657.762022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.762022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.762022 (E_RNA) where: Base-Base interactions energy: -404.797 where: short stacking energy: -207.297 Base-Backbone interact. energy: -1.023 local terms energy: -251.941829 where: bonds (distance) C4'-P energy: -52.276 bonds (distance) P-C4' energy: -62.554 flat angles C4'-P-C4' energy: -61.403 flat angles P-C4'-P energy: -25.382 tors. eta vs tors. theta energy: -50.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -534.001925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.001925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.001925 (E_RNA) where: Base-Base interactions energy: -301.640 where: short stacking energy: -158.751 Base-Backbone interact. energy: 1.233 local terms energy: -233.595013 where: bonds (distance) C4'-P energy: -48.843 bonds (distance) P-C4' energy: -59.364 flat angles C4'-P-C4' energy: -57.334 flat angles P-C4'-P energy: -28.967 tors. eta vs tors. theta energy: -39.088 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: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -465.845471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.845471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.845471 (E_RNA) where: Base-Base interactions energy: -267.717 where: short stacking energy: -132.255 Base-Backbone interact. energy: -2.233 local terms energy: -195.895399 where: bonds (distance) C4'-P energy: -49.868 bonds (distance) P-C4' energy: -49.181 flat angles C4'-P-C4' energy: -50.494 flat angles P-C4'-P energy: -27.757 tors. eta vs tors. theta energy: -18.596 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: 6 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -455.536388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.536388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.536388 (E_RNA) where: Base-Base interactions energy: -251.043 where: short stacking energy: -112.170 Base-Backbone interact. energy: 0.490 local terms energy: -204.982881 where: bonds (distance) C4'-P energy: -51.529 bonds (distance) P-C4' energy: -53.299 flat angles C4'-P-C4' energy: -54.888 flat angles P-C4'-P energy: -31.356 tors. eta vs tors. theta energy: -13.911 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: 3 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -269.454005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.454005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.454005 (E_RNA) where: Base-Base interactions energy: -83.207 where: short stacking energy: -71.510 Base-Backbone interact. energy: 3.873 local terms energy: -190.119657 where: bonds (distance) C4'-P energy: -59.013 bonds (distance) P-C4' energy: -59.302 flat angles C4'-P-C4' energy: -52.116 flat angles P-C4'-P energy: -29.251 tors. eta vs tors. theta energy: 9.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1071.848581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.848581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.848581 (E_RNA) where: Base-Base interactions energy: -729.718 where: short stacking energy: -300.811 Base-Backbone interact. energy: -1.552 local terms energy: -340.579367 where: bonds (distance) C4'-P energy: -66.907 bonds (distance) P-C4' energy: -57.655 flat angles C4'-P-C4' energy: -73.469 flat angles P-C4'-P energy: -43.978 tors. eta vs tors. theta energy: -98.570 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: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1011.234458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.234458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.234458 (E_RNA) where: Base-Base interactions energy: -691.497 where: short stacking energy: -305.943 Base-Backbone interact. energy: 2.158 local terms energy: -321.895856 where: bonds (distance) C4'-P energy: -58.144 bonds (distance) P-C4' energy: -61.432 flat angles C4'-P-C4' energy: -72.093 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -84.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -935.064290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.064290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.064290 (E_RNA) where: Base-Base interactions energy: -613.695 where: short stacking energy: -268.140 Base-Backbone interact. energy: -0.089 local terms energy: -321.281121 where: bonds (distance) C4'-P energy: -60.530 bonds (distance) P-C4' energy: -67.713 flat angles C4'-P-C4' energy: -61.475 flat angles P-C4'-P energy: -50.026 tors. eta vs tors. theta energy: -81.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -897.213534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.213534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.213534 (E_RNA) where: Base-Base interactions energy: -589.114 where: short stacking energy: -262.959 Base-Backbone interact. energy: -0.541 local terms energy: -307.558394 where: bonds (distance) C4'-P energy: -57.541 bonds (distance) P-C4' energy: -55.646 flat angles C4'-P-C4' energy: -69.777 flat angles P-C4'-P energy: -47.560 tors. eta vs tors. theta energy: -77.034 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: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -822.622184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.622184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.622184 (E_RNA) where: Base-Base interactions energy: -556.137 where: short stacking energy: -236.240 Base-Backbone interact. energy: 6.454 local terms energy: -272.938982 where: bonds (distance) C4'-P energy: -54.646 bonds (distance) P-C4' energy: -51.657 flat angles C4'-P-C4' energy: -64.787 flat angles P-C4'-P energy: -45.226 tors. eta vs tors. theta energy: -56.624 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: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -676.100022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.100022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.100022 (E_RNA) where: Base-Base interactions energy: -425.885 where: short stacking energy: -187.220 Base-Backbone interact. energy: -0.393 local terms energy: -249.821503 where: bonds (distance) C4'-P energy: -63.285 bonds (distance) P-C4' energy: -66.153 flat angles C4'-P-C4' energy: -49.905 flat angles P-C4'-P energy: -26.582 tors. eta vs tors. theta energy: -43.896 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: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -520.975980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.975980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.975980 (E_RNA) where: Base-Base interactions energy: -285.326 where: short stacking energy: -131.571 Base-Backbone interact. energy: 0.037 local terms energy: -235.686722 where: bonds (distance) C4'-P energy: -62.912 bonds (distance) P-C4' energy: -59.045 flat angles C4'-P-C4' energy: -54.645 flat angles P-C4'-P energy: -33.760 tors. eta vs tors. theta energy: -25.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -503.466463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.466463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.466463 (E_RNA) where: Base-Base interactions energy: -274.784 where: short stacking energy: -147.138 Base-Backbone interact. energy: 4.128 local terms energy: -232.810996 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -61.737 flat angles C4'-P-C4' energy: -45.073 flat angles P-C4'-P energy: -42.122 tors. eta vs tors. theta energy: -23.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -461.110559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.110559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.110559 (E_RNA) where: Base-Base interactions energy: -256.453 where: short stacking energy: -132.349 Base-Backbone interact. energy: 1.370 local terms energy: -206.026784 where: bonds (distance) C4'-P energy: -57.286 bonds (distance) P-C4' energy: -55.207 flat angles C4'-P-C4' energy: -46.964 flat angles P-C4'-P energy: -27.572 tors. eta vs tors. theta energy: -18.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -308.274976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.274976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.274976 (E_RNA) where: Base-Base interactions energy: -122.450 where: short stacking energy: -79.326 Base-Backbone interact. energy: -0.987 local terms energy: -184.838224 where: bonds (distance) C4'-P energy: -53.892 bonds (distance) P-C4' energy: -61.236 flat angles C4'-P-C4' energy: -48.772 flat angles P-C4'-P energy: -27.246 tors. eta vs tors. theta energy: 6.307 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: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1072.537751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.537751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.537751 (E_RNA) where: Base-Base interactions energy: -722.601 where: short stacking energy: -303.591 Base-Backbone interact. energy: -0.735 local terms energy: -349.202020 where: bonds (distance) C4'-P energy: -68.132 bonds (distance) P-C4' energy: -59.731 flat angles C4'-P-C4' energy: -69.869 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: -100.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1029.238233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.238233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.238233 (E_RNA) where: Base-Base interactions energy: -694.098 where: short stacking energy: -289.633 Base-Backbone interact. energy: -2.483 local terms energy: -332.657937 where: bonds (distance) C4'-P energy: -55.695 bonds (distance) P-C4' energy: -64.030 flat angles C4'-P-C4' energy: -70.710 flat angles P-C4'-P energy: -52.688 tors. eta vs tors. theta energy: -89.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -950.511810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.511810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.511810 (E_RNA) where: Base-Base interactions energy: -640.666 where: short stacking energy: -289.475 Base-Backbone interact. energy: -0.887 local terms energy: -308.958393 where: bonds (distance) C4'-P energy: -61.689 bonds (distance) P-C4' energy: -63.821 flat angles C4'-P-C4' energy: -55.761 flat angles P-C4'-P energy: -40.035 tors. eta vs tors. theta energy: -87.652 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: 163 Temperature: 1.050000 Total energy: -903.670818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.670818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.670818 (E_RNA) where: Base-Base interactions energy: -591.885 where: short stacking energy: -260.134 Base-Backbone interact. energy: -2.049 local terms energy: -309.736733 where: bonds (distance) C4'-P energy: -58.671 bonds (distance) P-C4' energy: -61.928 flat angles C4'-P-C4' energy: -72.711 flat angles P-C4'-P energy: -34.255 tors. eta vs tors. theta energy: -82.171 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: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -818.776353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.776353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.776353 (E_RNA) where: Base-Base interactions energy: -518.126 where: short stacking energy: -226.740 Base-Backbone interact. energy: -0.958 local terms energy: -299.692200 where: bonds (distance) C4'-P energy: -58.048 bonds (distance) P-C4' energy: -62.750 flat angles C4'-P-C4' energy: -61.703 flat angles P-C4'-P energy: -41.898 tors. eta vs tors. theta energy: -75.293 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: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -688.007123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.007123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.007123 (E_RNA) where: Base-Base interactions energy: -416.754 where: short stacking energy: -202.592 Base-Backbone interact. energy: -0.959 local terms energy: -270.294065 where: bonds (distance) C4'-P energy: -57.327 bonds (distance) P-C4' energy: -57.193 flat angles C4'-P-C4' energy: -58.822 flat angles P-C4'-P energy: -47.144 tors. eta vs tors. theta energy: -49.808 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: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -576.144374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.144374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.144374 (E_RNA) where: Base-Base interactions energy: -331.293 where: short stacking energy: -145.743 Base-Backbone interact. energy: -1.396 local terms energy: -243.455649 where: bonds (distance) C4'-P energy: -50.066 bonds (distance) P-C4' energy: -65.723 flat angles C4'-P-C4' energy: -53.766 flat angles P-C4'-P energy: -46.155 tors. eta vs tors. theta energy: -27.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -556.039877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.039877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.039877 (E_RNA) where: Base-Base interactions energy: -322.904 where: short stacking energy: -160.524 Base-Backbone interact. energy: -0.360 local terms energy: -232.775773 where: bonds (distance) C4'-P energy: -53.272 bonds (distance) P-C4' energy: -59.723 flat angles C4'-P-C4' energy: -53.625 flat angles P-C4'-P energy: -32.378 tors. eta vs tors. theta energy: -33.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -468.241613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.241613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.241613 (E_RNA) where: Base-Base interactions energy: -252.695 where: short stacking energy: -131.478 Base-Backbone interact. energy: -1.488 local terms energy: -214.059049 where: bonds (distance) C4'-P energy: -57.280 bonds (distance) P-C4' energy: -57.419 flat angles C4'-P-C4' energy: -50.136 flat angles P-C4'-P energy: -27.364 tors. eta vs tors. theta energy: -21.860 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: 3 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -277.413483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.413483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.413483 (E_RNA) where: Base-Base interactions energy: -107.391 where: short stacking energy: -79.283 Base-Backbone interact. energy: 3.089 local terms energy: -173.111501 where: bonds (distance) C4'-P energy: -58.201 bonds (distance) P-C4' energy: -49.832 flat angles C4'-P-C4' energy: -39.895 flat angles P-C4'-P energy: -33.942 tors. eta vs tors. theta energy: 8.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1030.574318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.574318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.574318 (E_RNA) where: Base-Base interactions energy: -714.035 where: short stacking energy: -294.113 Base-Backbone interact. energy: -0.304 local terms energy: -316.234496 where: bonds (distance) C4'-P energy: -55.657 bonds (distance) P-C4' energy: -60.050 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -40.517 tors. eta vs tors. theta energy: -88.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1041.843183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.843183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.843183 (E_RNA) where: Base-Base interactions energy: -713.359 where: short stacking energy: -294.085 Base-Backbone interact. energy: -0.901 local terms energy: -327.584016 where: bonds (distance) C4'-P energy: -61.030 bonds (distance) P-C4' energy: -65.959 flat angles C4'-P-C4' energy: -66.037 flat angles P-C4'-P energy: -41.273 tors. eta vs tors. theta energy: -93.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -940.377440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.377440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.377440 (E_RNA) where: Base-Base interactions energy: -621.991 where: short stacking energy: -293.321 Base-Backbone interact. energy: 1.479 local terms energy: -319.865053 where: bonds (distance) C4'-P energy: -62.411 bonds (distance) P-C4' energy: -60.088 flat angles C4'-P-C4' energy: -69.612 flat angles P-C4'-P energy: -38.023 tors. eta vs tors. theta energy: -89.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -874.048602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.048602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.048602 (E_RNA) where: Base-Base interactions energy: -579.703 where: short stacking energy: -248.407 Base-Backbone interact. energy: -0.650 local terms energy: -293.695714 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -58.197 flat angles C4'-P-C4' energy: -57.121 flat angles P-C4'-P energy: -45.969 tors. eta vs tors. theta energy: -72.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -822.598608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.598608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.598608 (E_RNA) where: Base-Base interactions energy: -542.062 where: short stacking energy: -233.800 Base-Backbone interact. energy: 0.677 local terms energy: -281.214125 where: bonds (distance) C4'-P energy: -53.208 bonds (distance) P-C4' energy: -58.628 flat angles C4'-P-C4' energy: -69.704 flat angles P-C4'-P energy: -39.754 tors. eta vs tors. theta energy: -59.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -677.335671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.335671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.335671 (E_RNA) where: Base-Base interactions energy: -456.256 where: short stacking energy: -219.902 Base-Backbone interact. energy: -0.592 local terms energy: -220.487104 where: bonds (distance) C4'-P energy: -45.792 bonds (distance) P-C4' energy: -38.442 flat angles C4'-P-C4' energy: -60.645 flat angles P-C4'-P energy: -30.902 tors. eta vs tors. theta energy: -44.706 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: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -543.530490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.530490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.530490 (E_RNA) where: Base-Base interactions energy: -321.396 where: short stacking energy: -155.574 Base-Backbone interact. energy: -0.604 local terms energy: -221.530525 where: bonds (distance) C4'-P energy: -49.033 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -59.044 flat angles P-C4'-P energy: -24.613 tors. eta vs tors. theta energy: -29.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -551.997189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.997189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.997189 (E_RNA) where: Base-Base interactions energy: -326.202 where: short stacking energy: -144.703 Base-Backbone interact. energy: 1.636 local terms energy: -227.431773 where: bonds (distance) C4'-P energy: -51.661 bonds (distance) P-C4' energy: -56.120 flat angles C4'-P-C4' energy: -60.033 flat angles P-C4'-P energy: -35.164 tors. eta vs tors. theta energy: -24.454 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: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -460.893399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.893399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.893399 (E_RNA) where: Base-Base interactions energy: -247.456 where: short stacking energy: -115.721 Base-Backbone interact. energy: 0.275 local terms energy: -213.711859 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -59.210 flat angles C4'-P-C4' energy: -42.250 flat angles P-C4'-P energy: -30.372 tors. eta vs tors. theta energy: -18.086 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: 10, replica: 3 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -269.698280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.698280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.698280 (E_RNA) where: Base-Base interactions energy: -101.236 where: short stacking energy: -64.964 Base-Backbone interact. energy: 4.428 local terms energy: -172.890626 where: bonds (distance) C4'-P energy: -54.938 bonds (distance) P-C4' energy: -54.296 flat angles C4'-P-C4' energy: -46.482 flat angles P-C4'-P energy: -30.706 tors. eta vs tors. theta energy: 13.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1045.833712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.833712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.833712 (E_RNA) where: Base-Base interactions energy: -737.891 where: short stacking energy: -295.458 Base-Backbone interact. energy: 0.401 local terms energy: -308.344151 where: bonds (distance) C4'-P energy: -64.982 bonds (distance) P-C4' energy: -61.408 flat angles C4'-P-C4' energy: -55.622 flat angles P-C4'-P energy: -42.751 tors. eta vs tors. theta energy: -83.581 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: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1041.959527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.959527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.959527 (E_RNA) where: Base-Base interactions energy: -717.255 where: short stacking energy: -293.118 Base-Backbone interact. energy: -1.899 local terms energy: -322.805722 where: bonds (distance) C4'-P energy: -58.175 bonds (distance) P-C4' energy: -49.873 flat angles C4'-P-C4' energy: -71.435 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -91.420 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: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -941.832606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.832606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.832606 (E_RNA) where: Base-Base interactions energy: -600.815 where: short stacking energy: -267.097 Base-Backbone interact. energy: -1.556 local terms energy: -339.462038 where: bonds (distance) C4'-P energy: -72.822 bonds (distance) P-C4' energy: -67.923 flat angles C4'-P-C4' energy: -64.927 flat angles P-C4'-P energy: -48.286 tors. eta vs tors. theta energy: -85.504 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: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -873.336775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.336775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.336775 (E_RNA) where: Base-Base interactions energy: -587.645 where: short stacking energy: -254.183 Base-Backbone interact. energy: -2.753 local terms energy: -282.937968 where: bonds (distance) C4'-P energy: -57.205 bonds (distance) P-C4' energy: -56.119 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -34.604 tors. eta vs tors. theta energy: -68.281 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: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -784.797411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.797411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.797411 (E_RNA) where: Base-Base interactions energy: -514.793 where: short stacking energy: -224.423 Base-Backbone interact. energy: -1.064 local terms energy: -268.940790 where: bonds (distance) C4'-P energy: -52.017 bonds (distance) P-C4' energy: -65.427 flat angles C4'-P-C4' energy: -55.646 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -58.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -677.735853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.735853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.735853 (E_RNA) where: Base-Base interactions energy: -432.256 where: short stacking energy: -188.820 Base-Backbone interact. energy: -1.655 local terms energy: -243.825339 where: bonds (distance) C4'-P energy: -49.382 bonds (distance) P-C4' energy: -59.815 flat angles C4'-P-C4' energy: -61.345 flat angles P-C4'-P energy: -24.322 tors. eta vs tors. theta energy: -48.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -531.770035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.770035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.770035 (E_RNA) where: Base-Base interactions energy: -304.871 where: short stacking energy: -143.804 Base-Backbone interact. energy: -1.616 local terms energy: -225.283586 where: bonds (distance) C4'-P energy: -55.052 bonds (distance) P-C4' energy: -59.462 flat angles C4'-P-C4' energy: -52.352 flat angles P-C4'-P energy: -37.443 tors. eta vs tors. theta energy: -20.976 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: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -549.159435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.159435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.159435 (E_RNA) where: Base-Base interactions energy: -328.873 where: short stacking energy: -145.462 Base-Backbone interact. energy: -1.815 local terms energy: -218.471539 where: bonds (distance) C4'-P energy: -55.029 bonds (distance) P-C4' energy: -49.807 flat angles C4'-P-C4' energy: -67.587 flat angles P-C4'-P energy: -23.329 tors. eta vs tors. theta energy: -22.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -461.245976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.245976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.245976 (E_RNA) where: Base-Base interactions energy: -252.176 where: short stacking energy: -126.776 Base-Backbone interact. energy: -1.476 local terms energy: -207.593728 where: bonds (distance) C4'-P energy: -48.908 bonds (distance) P-C4' energy: -61.147 flat angles C4'-P-C4' energy: -48.366 flat angles P-C4'-P energy: -31.442 tors. eta vs tors. theta energy: -17.731 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: 3 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -298.853067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.853067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.853067 (E_RNA) where: Base-Base interactions energy: -114.335 where: short stacking energy: -99.728 Base-Backbone interact. energy: 0.587 local terms energy: -185.105061 where: bonds (distance) C4'-P energy: -57.062 bonds (distance) P-C4' energy: -53.357 flat angles C4'-P-C4' energy: -42.207 flat angles P-C4'-P energy: -30.463 tors. eta vs tors. theta energy: -2.017 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: 1, replica: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1042.793339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.793339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.793339 (E_RNA) where: Base-Base interactions energy: -690.503 where: short stacking energy: -292.269 Base-Backbone interact. energy: -2.448 local terms energy: -349.842723 where: bonds (distance) C4'-P energy: -65.522 bonds (distance) P-C4' energy: -67.325 flat angles C4'-P-C4' energy: -75.874 flat angles P-C4'-P energy: -51.687 tors. eta vs tors. theta energy: -89.434 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: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1022.513844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.513844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.513844 (E_RNA) where: Base-Base interactions energy: -693.550 where: short stacking energy: -297.398 Base-Backbone interact. energy: -0.443 local terms energy: -328.520646 where: bonds (distance) C4'-P energy: -64.403 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -68.424 flat angles P-C4'-P energy: -38.167 tors. eta vs tors. theta energy: -87.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -943.541802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.541802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.541802 (E_RNA) where: Base-Base interactions energy: -635.194 where: short stacking energy: -288.251 Base-Backbone interact. energy: -2.084 local terms energy: -306.263514 where: bonds (distance) C4'-P energy: -68.072 bonds (distance) P-C4' energy: -48.875 flat angles C4'-P-C4' energy: -64.458 flat angles P-C4'-P energy: -45.224 tors. eta vs tors. theta energy: -79.635 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: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -867.030586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.030586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.030586 (E_RNA) where: Base-Base interactions energy: -562.056 where: short stacking energy: -237.908 Base-Backbone interact. energy: 0.023 local terms energy: -304.998416 where: bonds (distance) C4'-P energy: -62.832 bonds (distance) P-C4' energy: -62.156 flat angles C4'-P-C4' energy: -62.114 flat angles P-C4'-P energy: -51.877 tors. eta vs tors. theta energy: -66.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -791.714490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.714490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.714490 (E_RNA) where: Base-Base interactions energy: -508.722 where: short stacking energy: -208.474 Base-Backbone interact. energy: -0.435 local terms energy: -282.558117 where: bonds (distance) C4'-P energy: -48.447 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -64.358 flat angles P-C4'-P energy: -39.383 tors. eta vs tors. theta energy: -61.424 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: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -621.544624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.544624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.544624 (E_RNA) where: Base-Base interactions energy: -369.959 where: short stacking energy: -168.339 Base-Backbone interact. energy: -0.108 local terms energy: -251.477739 where: bonds (distance) C4'-P energy: -60.540 bonds (distance) P-C4' energy: -65.644 flat angles C4'-P-C4' energy: -58.337 flat angles P-C4'-P energy: -31.353 tors. eta vs tors. theta energy: -35.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -584.244327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.244327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.244327 (E_RNA) where: Base-Base interactions energy: -321.122 where: short stacking energy: -144.921 Base-Backbone interact. energy: -1.501 local terms energy: -261.621048 where: bonds (distance) C4'-P energy: -53.721 bonds (distance) P-C4' energy: -66.654 flat angles C4'-P-C4' energy: -73.994 flat angles P-C4'-P energy: -39.953 tors. eta vs tors. theta energy: -27.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -496.649665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.649665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.649665 (E_RNA) where: Base-Base interactions energy: -281.043 where: short stacking energy: -139.503 Base-Backbone interact. energy: 4.646 local terms energy: -220.253321 where: bonds (distance) C4'-P energy: -51.278 bonds (distance) P-C4' energy: -56.566 flat angles C4'-P-C4' energy: -50.924 flat angles P-C4'-P energy: -42.576 tors. eta vs tors. theta energy: -18.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -456.855854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.855854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.855854 (E_RNA) where: Base-Base interactions energy: -250.593 where: short stacking energy: -127.183 Base-Backbone interact. energy: 2.906 local terms energy: -209.168912 where: bonds (distance) C4'-P energy: -50.954 bonds (distance) P-C4' energy: -49.091 flat angles C4'-P-C4' energy: -61.824 flat angles P-C4'-P energy: -21.849 tors. eta vs tors. theta energy: -25.451 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: 10, replica: 3 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -236.290620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.290620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.290620 (E_RNA) where: Base-Base interactions energy: -78.798 where: short stacking energy: -47.534 Base-Backbone interact. energy: -0.765 local terms energy: -156.727635 where: bonds (distance) C4'-P energy: -45.552 bonds (distance) P-C4' energy: -56.073 flat angles C4'-P-C4' energy: -45.061 flat angles P-C4'-P energy: -22.342 tors. eta vs tors. theta energy: 12.300 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: 8 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1046.737146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.737146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.737146 (E_RNA) where: Base-Base interactions energy: -735.402 where: short stacking energy: -305.185 Base-Backbone interact. energy: -0.991 local terms energy: -310.344499 where: bonds (distance) C4'-P energy: -62.127 bonds (distance) P-C4' energy: -56.682 flat angles C4'-P-C4' energy: -74.501 flat angles P-C4'-P energy: -35.994 tors. eta vs tors. theta energy: -81.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1031.566627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.566627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.566627 (E_RNA) where: Base-Base interactions energy: -695.016 where: short stacking energy: -304.465 Base-Backbone interact. energy: -2.986 local terms energy: -333.564822 where: bonds (distance) C4'-P energy: -56.675 bonds (distance) P-C4' energy: -60.603 flat angles C4'-P-C4' energy: -64.957 flat angles P-C4'-P energy: -53.334 tors. eta vs tors. theta energy: -97.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -974.807337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.807337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.807337 (E_RNA) where: Base-Base interactions energy: -658.539 where: short stacking energy: -258.097 Base-Backbone interact. energy: -1.547 local terms energy: -314.720956 where: bonds (distance) C4'-P energy: -60.235 bonds (distance) P-C4' energy: -67.231 flat angles C4'-P-C4' energy: -66.322 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -74.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -870.005607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.005607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.005607 (E_RNA) where: Base-Base interactions energy: -574.113 where: short stacking energy: -247.789 Base-Backbone interact. energy: -1.174 local terms energy: -294.718723 where: bonds (distance) C4'-P energy: -56.770 bonds (distance) P-C4' energy: -57.414 flat angles C4'-P-C4' energy: -56.824 flat angles P-C4'-P energy: -48.106 tors. eta vs tors. theta energy: -75.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -789.717466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.717466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.717466 (E_RNA) where: Base-Base interactions energy: -509.765 where: short stacking energy: -226.932 Base-Backbone interact. energy: -1.450 local terms energy: -278.501675 where: bonds (distance) C4'-P energy: -52.013 bonds (distance) P-C4' energy: -56.818 flat angles C4'-P-C4' energy: -66.093 flat angles P-C4'-P energy: -39.631 tors. eta vs tors. theta energy: -63.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -634.220383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.220383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.220383 (E_RNA) where: Base-Base interactions energy: -392.625 where: short stacking energy: -164.404 Base-Backbone interact. energy: 0.474 local terms energy: -242.069451 where: bonds (distance) C4'-P energy: -55.435 bonds (distance) P-C4' energy: -62.001 flat angles C4'-P-C4' energy: -53.706 flat angles P-C4'-P energy: -35.452 tors. eta vs tors. theta energy: -35.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -576.174927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.174927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.174927 (E_RNA) where: Base-Base interactions energy: -344.802 where: short stacking energy: -151.661 Base-Backbone interact. energy: 0.172 local terms energy: -231.545665 where: bonds (distance) C4'-P energy: -41.531 bonds (distance) P-C4' energy: -55.677 flat angles C4'-P-C4' energy: -61.838 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: -30.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -472.171035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.171035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.171035 (E_RNA) where: Base-Base interactions energy: -267.500 where: short stacking energy: -137.691 Base-Backbone interact. energy: -0.717 local terms energy: -203.953619 where: bonds (distance) C4'-P energy: -39.276 bonds (distance) P-C4' energy: -59.565 flat angles C4'-P-C4' energy: -47.760 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -16.276 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: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -440.303584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.303584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.303584 (E_RNA) where: Base-Base interactions energy: -241.727 where: short stacking energy: -129.194 Base-Backbone interact. energy: -2.090 local terms energy: -196.486886 where: bonds (distance) C4'-P energy: -50.198 bonds (distance) P-C4' energy: -67.004 flat angles C4'-P-C4' energy: -39.481 flat angles P-C4'-P energy: -33.478 tors. eta vs tors. theta energy: -6.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -256.553413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.553413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.553413 (E_RNA) where: Base-Base interactions energy: -89.112 where: short stacking energy: -71.131 Base-Backbone interact. energy: -0.732 local terms energy: -166.708994 where: bonds (distance) C4'-P energy: -44.144 bonds (distance) P-C4' energy: -59.236 flat angles C4'-P-C4' energy: -44.824 flat angles P-C4'-P energy: -26.834 tors. eta vs tors. theta energy: 8.328 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: 8 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1055.531112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.531112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.531112 (E_RNA) where: Base-Base interactions energy: -725.744 where: short stacking energy: -300.669 Base-Backbone interact. energy: -0.987 local terms energy: -328.799445 where: bonds (distance) C4'-P energy: -65.991 bonds (distance) P-C4' energy: -72.414 flat angles C4'-P-C4' energy: -68.733 flat angles P-C4'-P energy: -40.862 tors. eta vs tors. theta energy: -80.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1003.131909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.131909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.131909 (E_RNA) where: Base-Base interactions energy: -688.551 where: short stacking energy: -298.755 Base-Backbone interact. energy: 0.159 local terms energy: -314.740002 where: bonds (distance) C4'-P energy: -57.207 bonds (distance) P-C4' energy: -60.499 flat angles C4'-P-C4' energy: -55.566 flat angles P-C4'-P energy: -48.499 tors. eta vs tors. theta energy: -92.969 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: 3, replica: 1 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -972.631367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.631367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.631367 (E_RNA) where: Base-Base interactions energy: -645.057 where: short stacking energy: -279.188 Base-Backbone interact. energy: -1.658 local terms energy: -325.916791 where: bonds (distance) C4'-P energy: -63.363 bonds (distance) P-C4' energy: -64.718 flat angles C4'-P-C4' energy: -62.866 flat angles P-C4'-P energy: -50.215 tors. eta vs tors. theta energy: -84.754 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: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -901.200673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.200673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.200673 (E_RNA) where: Base-Base interactions energy: -609.463 where: short stacking energy: -283.853 Base-Backbone interact. energy: 1.045 local terms energy: -292.782521 where: bonds (distance) C4'-P energy: -57.675 bonds (distance) P-C4' energy: -52.185 flat angles C4'-P-C4' energy: -66.688 flat angles P-C4'-P energy: -39.245 tors. eta vs tors. theta energy: -76.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -812.543031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.543031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.543031 (E_RNA) where: Base-Base interactions energy: -537.493 where: short stacking energy: -233.752 Base-Backbone interact. energy: -0.743 local terms energy: -274.307697 where: bonds (distance) C4'-P energy: -64.574 bonds (distance) P-C4' energy: -54.038 flat angles C4'-P-C4' energy: -56.004 flat angles P-C4'-P energy: -29.581 tors. eta vs tors. theta energy: -70.111 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: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -647.051357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.051357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.051357 (E_RNA) where: Base-Base interactions energy: -374.259 where: short stacking energy: -201.357 Base-Backbone interact. energy: 2.462 local terms energy: -275.254204 where: bonds (distance) C4'-P energy: -66.109 bonds (distance) P-C4' energy: -56.655 flat angles C4'-P-C4' energy: -58.875 flat angles P-C4'-P energy: -36.876 tors. eta vs tors. theta energy: -56.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -587.556416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.556416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.556416 (E_RNA) where: Base-Base interactions energy: -364.471 where: short stacking energy: -166.443 Base-Backbone interact. energy: 2.088 local terms energy: -225.173415 where: bonds (distance) C4'-P energy: -43.868 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -54.922 flat angles P-C4'-P energy: -43.209 tors. eta vs tors. theta energy: -25.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -499.249443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.249443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.249443 (E_RNA) where: Base-Base interactions energy: -269.030 where: short stacking energy: -111.893 Base-Backbone interact. energy: -1.609 local terms energy: -228.610297 where: bonds (distance) C4'-P energy: -58.976 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -54.023 flat angles P-C4'-P energy: -35.123 tors. eta vs tors. theta energy: -19.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -462.302084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.302084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.302084 (E_RNA) where: Base-Base interactions energy: -256.142 where: short stacking energy: -138.640 Base-Backbone interact. energy: -1.094 local terms energy: -205.066380 where: bonds (distance) C4'-P energy: -51.476 bonds (distance) P-C4' energy: -47.955 flat angles C4'-P-C4' energy: -48.327 flat angles P-C4'-P energy: -33.461 tors. eta vs tors. theta energy: -23.848 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: 10, replica: 3 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -260.751215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.751215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.751215 (E_RNA) where: Base-Base interactions energy: -86.971 where: short stacking energy: -54.029 Base-Backbone interact. energy: -1.461 local terms energy: -172.318806 where: bonds (distance) C4'-P energy: -53.123 bonds (distance) P-C4' energy: -47.470 flat angles C4'-P-C4' energy: -58.810 flat angles P-C4'-P energy: -24.702 tors. eta vs tors. theta energy: 11.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1026.973979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.973979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.973979 (E_RNA) where: Base-Base interactions energy: -715.606 where: short stacking energy: -292.738 Base-Backbone interact. energy: -0.915 local terms energy: -310.452317 where: bonds (distance) C4'-P energy: -58.526 bonds (distance) P-C4' energy: -58.032 flat angles C4'-P-C4' energy: -63.101 flat angles P-C4'-P energy: -44.459 tors. eta vs tors. theta energy: -86.334 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: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1039.937743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.937743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.937743 (E_RNA) where: Base-Base interactions energy: -715.470 where: short stacking energy: -309.283 Base-Backbone interact. energy: -1.038 local terms energy: -323.429928 where: bonds (distance) C4'-P energy: -63.130 bonds (distance) P-C4' energy: -53.242 flat angles C4'-P-C4' energy: -68.504 flat angles P-C4'-P energy: -47.788 tors. eta vs tors. theta energy: -90.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -941.228197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.228197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.228197 (E_RNA) where: Base-Base interactions energy: -640.620 where: short stacking energy: -268.577 Base-Backbone interact. energy: -1.170 local terms energy: -299.438253 where: bonds (distance) C4'-P energy: -53.118 bonds (distance) P-C4' energy: -56.680 flat angles C4'-P-C4' energy: -70.015 flat angles P-C4'-P energy: -43.071 tors. eta vs tors. theta energy: -76.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -881.578027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.578027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.578027 (E_RNA) where: Base-Base interactions energy: -577.542 where: short stacking energy: -233.804 Base-Backbone interact. energy: -0.189 local terms energy: -303.846410 where: bonds (distance) C4'-P energy: -59.097 bonds (distance) P-C4' energy: -64.623 flat angles C4'-P-C4' energy: -69.855 flat angles P-C4'-P energy: -36.040 tors. eta vs tors. theta energy: -74.232 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: 5 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -838.507203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.507203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.507203 (E_RNA) where: Base-Base interactions energy: -535.263 where: short stacking energy: -241.104 Base-Backbone interact. energy: 0.551 local terms energy: -303.795384 where: bonds (distance) C4'-P energy: -56.375 bonds (distance) P-C4' energy: -59.228 flat angles C4'-P-C4' energy: -63.727 flat angles P-C4'-P energy: -51.591 tors. eta vs tors. theta energy: -72.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -661.106682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.106682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.106682 (E_RNA) where: Base-Base interactions energy: -415.930 where: short stacking energy: -189.423 Base-Backbone interact. energy: 0.218 local terms energy: -245.394212 where: bonds (distance) C4'-P energy: -51.893 bonds (distance) P-C4' energy: -55.991 flat angles C4'-P-C4' energy: -53.283 flat angles P-C4'-P energy: -36.108 tors. eta vs tors. theta energy: -48.118 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: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -565.402352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.402352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.402352 (E_RNA) where: Base-Base interactions energy: -336.185 where: short stacking energy: -151.164 Base-Backbone interact. energy: 0.478 local terms energy: -229.695393 where: bonds (distance) C4'-P energy: -54.313 bonds (distance) P-C4' energy: -46.853 flat angles C4'-P-C4' energy: -57.487 flat angles P-C4'-P energy: -39.680 tors. eta vs tors. theta energy: -31.362 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: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -493.353543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.353543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.353543 (E_RNA) where: Base-Base interactions energy: -280.332 where: short stacking energy: -127.169 Base-Backbone interact. energy: -2.857 local terms energy: -210.164619 where: bonds (distance) C4'-P energy: -46.978 bonds (distance) P-C4' energy: -46.503 flat angles C4'-P-C4' energy: -48.476 flat angles P-C4'-P energy: -49.112 tors. eta vs tors. theta energy: -19.095 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: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -424.449348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.449348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.449348 (E_RNA) where: Base-Base interactions energy: -239.713 where: short stacking energy: -123.517 Base-Backbone interact. energy: -0.442 local terms energy: -184.294482 where: bonds (distance) C4'-P energy: -49.429 bonds (distance) P-C4' energy: -50.840 flat angles C4'-P-C4' energy: -45.061 flat angles P-C4'-P energy: -29.970 tors. eta vs tors. theta energy: -8.994 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: 3 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -252.479255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.479255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.479255 (E_RNA) where: Base-Base interactions energy: -83.345 where: short stacking energy: -67.134 Base-Backbone interact. energy: 3.792 local terms energy: -172.925893 where: bonds (distance) C4'-P energy: -47.525 bonds (distance) P-C4' energy: -58.658 flat angles C4'-P-C4' energy: -55.242 flat angles P-C4'-P energy: -25.312 tors. eta vs tors. theta energy: 13.811 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: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1029.149934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.149934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.149934 (E_RNA) where: Base-Base interactions energy: -712.859 where: short stacking energy: -292.993 Base-Backbone interact. energy: -0.142 local terms energy: -316.148226 where: bonds (distance) C4'-P energy: -55.872 bonds (distance) P-C4' energy: -69.910 flat angles C4'-P-C4' energy: -69.507 flat angles P-C4'-P energy: -38.060 tors. eta vs tors. theta energy: -82.799 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: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1025.708033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.708033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.708033 (E_RNA) where: Base-Base interactions energy: -673.790 where: short stacking energy: -299.007 Base-Backbone interact. energy: -1.260 local terms energy: -350.658102 where: bonds (distance) C4'-P energy: -67.980 bonds (distance) P-C4' energy: -71.987 flat angles C4'-P-C4' energy: -65.421 flat angles P-C4'-P energy: -47.796 tors. eta vs tors. theta energy: -97.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -947.302902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.302902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.302902 (E_RNA) where: Base-Base interactions energy: -636.389 where: short stacking energy: -266.068 Base-Backbone interact. energy: -3.093 local terms energy: -307.820344 where: bonds (distance) C4'-P energy: -57.933 bonds (distance) P-C4' energy: -57.874 flat angles C4'-P-C4' energy: -68.543 flat angles P-C4'-P energy: -47.158 tors. eta vs tors. theta energy: -76.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -898.900189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.900189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.900189 (E_RNA) where: Base-Base interactions energy: -598.075 where: short stacking energy: -254.754 Base-Backbone interact. energy: -0.759 local terms energy: -300.065700 where: bonds (distance) C4'-P energy: -66.415 bonds (distance) P-C4' energy: -51.984 flat angles C4'-P-C4' energy: -62.146 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: -74.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -856.206048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.206048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.206048 (E_RNA) where: Base-Base interactions energy: -572.747 where: short stacking energy: -256.717 Base-Backbone interact. energy: -1.093 local terms energy: -282.365834 where: bonds (distance) C4'-P energy: -55.726 bonds (distance) P-C4' energy: -56.152 flat angles C4'-P-C4' energy: -61.615 flat angles P-C4'-P energy: -37.181 tors. eta vs tors. theta energy: -71.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -689.037933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.037933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.037933 (E_RNA) where: Base-Base interactions energy: -428.564 where: short stacking energy: -192.383 Base-Backbone interact. energy: -0.880 local terms energy: -259.594128 where: bonds (distance) C4'-P energy: -53.288 bonds (distance) P-C4' energy: -49.610 flat angles C4'-P-C4' energy: -58.765 flat angles P-C4'-P energy: -43.534 tors. eta vs tors. theta energy: -54.396 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: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -583.718604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.718604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.718604 (E_RNA) where: Base-Base interactions energy: -341.719 where: short stacking energy: -153.296 Base-Backbone interact. energy: -1.306 local terms energy: -240.692858 where: bonds (distance) C4'-P energy: -58.284 bonds (distance) P-C4' energy: -56.551 flat angles C4'-P-C4' energy: -62.995 flat angles P-C4'-P energy: -39.329 tors. eta vs tors. theta energy: -23.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -485.728589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.728589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.728589 (E_RNA) where: Base-Base interactions energy: -274.958 where: short stacking energy: -131.149 Base-Backbone interact. energy: -0.817 local terms energy: -209.953816 where: bonds (distance) C4'-P energy: -60.505 bonds (distance) P-C4' energy: -49.771 flat angles C4'-P-C4' energy: -50.039 flat angles P-C4'-P energy: -21.776 tors. eta vs tors. theta energy: -27.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -457.639643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.639643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.639643 (E_RNA) where: Base-Base interactions energy: -262.481 where: short stacking energy: -129.812 Base-Backbone interact. energy: 1.457 local terms energy: -196.615343 where: bonds (distance) C4'-P energy: -45.350 bonds (distance) P-C4' energy: -50.513 flat angles C4'-P-C4' energy: -55.644 flat angles P-C4'-P energy: -36.103 tors. eta vs tors. theta energy: -9.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -260.761885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.761885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.761885 (E_RNA) where: Base-Base interactions energy: -95.251 where: short stacking energy: -76.090 Base-Backbone interact. energy: 0.908 local terms energy: -166.419225 where: bonds (distance) C4'-P energy: -50.312 bonds (distance) P-C4' energy: -55.637 flat angles C4'-P-C4' energy: -48.870 flat angles P-C4'-P energy: -20.179 tors. eta vs tors. theta energy: 8.579 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: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1041.683720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.683720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.683720 (E_RNA) where: Base-Base interactions energy: -720.464 where: short stacking energy: -292.442 Base-Backbone interact. energy: -0.150 local terms energy: -321.069812 where: bonds (distance) C4'-P energy: -69.256 bonds (distance) P-C4' energy: -55.384 flat angles C4'-P-C4' energy: -67.175 flat angles P-C4'-P energy: -42.794 tors. eta vs tors. theta energy: -86.460 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: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1023.543173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.543173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.543173 (E_RNA) where: Base-Base interactions energy: -678.636 where: short stacking energy: -299.242 Base-Backbone interact. energy: -2.844 local terms energy: -342.063363 where: bonds (distance) C4'-P energy: -57.400 bonds (distance) P-C4' energy: -67.612 flat angles C4'-P-C4' energy: -74.818 flat angles P-C4'-P energy: -46.452 tors. eta vs tors. theta energy: -95.782 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: 1 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -988.176108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.176108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.176108 (E_RNA) where: Base-Base interactions energy: -670.953 where: short stacking energy: -259.482 Base-Backbone interact. energy: -2.188 local terms energy: -315.035197 where: bonds (distance) C4'-P energy: -48.748 bonds (distance) P-C4' energy: -65.962 flat angles C4'-P-C4' energy: -69.739 flat angles P-C4'-P energy: -47.981 tors. eta vs tors. theta energy: -82.605 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: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -880.408014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.408014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.408014 (E_RNA) where: Base-Base interactions energy: -573.455 where: short stacking energy: -251.506 Base-Backbone interact. energy: -1.044 local terms energy: -305.909171 where: bonds (distance) C4'-P energy: -70.381 bonds (distance) P-C4' energy: -62.565 flat angles C4'-P-C4' energy: -56.624 flat angles P-C4'-P energy: -49.948 tors. eta vs tors. theta energy: -66.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -821.788783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.788783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.788783 (E_RNA) where: Base-Base interactions energy: -540.944 where: short stacking energy: -240.068 Base-Backbone interact. energy: 0.927 local terms energy: -281.772180 where: bonds (distance) C4'-P energy: -59.059 bonds (distance) P-C4' energy: -57.298 flat angles C4'-P-C4' energy: -60.860 flat angles P-C4'-P energy: -36.559 tors. eta vs tors. theta energy: -67.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -726.777002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.777002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.777002 (E_RNA) where: Base-Base interactions energy: -461.519 where: short stacking energy: -216.030 Base-Backbone interact. energy: -1.087 local terms energy: -264.171174 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -50.827 flat angles P-C4'-P energy: -33.103 tors. eta vs tors. theta energy: -59.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -605.013297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.013297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.013297 (E_RNA) where: Base-Base interactions energy: -373.199 where: short stacking energy: -173.629 Base-Backbone interact. energy: -0.708 local terms energy: -231.105783 where: bonds (distance) C4'-P energy: -63.896 bonds (distance) P-C4' energy: -51.908 flat angles C4'-P-C4' energy: -43.052 flat angles P-C4'-P energy: -38.869 tors. eta vs tors. theta energy: -33.381 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: 8, replica: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -458.027845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.027845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.027845 (E_RNA) where: Base-Base interactions energy: -248.091 where: short stacking energy: -128.144 Base-Backbone interact. energy: -0.252 local terms energy: -209.684636 where: bonds (distance) C4'-P energy: -54.287 bonds (distance) P-C4' energy: -51.590 flat angles C4'-P-C4' energy: -59.959 flat angles P-C4'-P energy: -30.053 tors. eta vs tors. theta energy: -13.795 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: 9, replica: 6 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -445.448054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.448054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.448054 (E_RNA) where: Base-Base interactions energy: -235.336 where: short stacking energy: -121.022 Base-Backbone interact. energy: 0.946 local terms energy: -211.058063 where: bonds (distance) C4'-P energy: -51.235 bonds (distance) P-C4' energy: -64.880 flat angles C4'-P-C4' energy: -55.337 flat angles P-C4'-P energy: -27.907 tors. eta vs tors. theta energy: -11.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -254.931588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.931588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.931588 (E_RNA) where: Base-Base interactions energy: -100.390 where: short stacking energy: -66.532 Base-Backbone interact. energy: 1.404 local terms energy: -155.946282 where: bonds (distance) C4'-P energy: -49.320 bonds (distance) P-C4' energy: -46.079 flat angles C4'-P-C4' energy: -40.908 flat angles P-C4'-P energy: -29.208 tors. eta vs tors. theta energy: 9.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1054.594092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.594092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.594092 (E_RNA) where: Base-Base interactions energy: -723.660 where: short stacking energy: -316.936 Base-Backbone interact. energy: -2.121 local terms energy: -328.813250 where: bonds (distance) C4'-P energy: -65.377 bonds (distance) P-C4' energy: -59.403 flat angles C4'-P-C4' energy: -75.260 flat angles P-C4'-P energy: -44.920 tors. eta vs tors. theta energy: -83.854 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: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1040.027547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.027547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.027547 (E_RNA) where: Base-Base interactions energy: -709.898 where: short stacking energy: -297.282 Base-Backbone interact. energy: 2.126 local terms energy: -332.254877 where: bonds (distance) C4'-P energy: -60.862 bonds (distance) P-C4' energy: -62.529 flat angles C4'-P-C4' energy: -70.758 flat angles P-C4'-P energy: -43.752 tors. eta vs tors. theta energy: -94.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -942.587410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.587410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.587410 (E_RNA) where: Base-Base interactions energy: -629.859 where: short stacking energy: -261.036 Base-Backbone interact. energy: -0.889 local terms energy: -311.839294 where: bonds (distance) C4'-P energy: -57.913 bonds (distance) P-C4' energy: -60.906 flat angles C4'-P-C4' energy: -69.567 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -81.623 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: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -870.942833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.942833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.942833 (E_RNA) where: Base-Base interactions energy: -575.694 where: short stacking energy: -238.845 Base-Backbone interact. energy: -1.805 local terms energy: -293.443675 where: bonds (distance) C4'-P energy: -56.815 bonds (distance) P-C4' energy: -55.838 flat angles C4'-P-C4' energy: -71.829 flat angles P-C4'-P energy: -36.161 tors. eta vs tors. theta energy: -72.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -806.051675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.051675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.051675 (E_RNA) where: Base-Base interactions energy: -522.528 where: short stacking energy: -242.627 Base-Backbone interact. energy: -0.247 local terms energy: -283.276808 where: bonds (distance) C4'-P energy: -61.271 bonds (distance) P-C4' energy: -49.555 flat angles C4'-P-C4' energy: -63.519 flat angles P-C4'-P energy: -39.912 tors. eta vs tors. theta energy: -69.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -724.533375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.533375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.533375 (E_RNA) where: Base-Base interactions energy: -468.296 where: short stacking energy: -219.200 Base-Backbone interact. energy: 1.899 local terms energy: -258.136129 where: bonds (distance) C4'-P energy: -55.753 bonds (distance) P-C4' energy: -45.994 flat angles C4'-P-C4' energy: -54.513 flat angles P-C4'-P energy: -34.758 tors. eta vs tors. theta energy: -67.117 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: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -560.274164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.274164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.274164 (E_RNA) where: Base-Base interactions energy: -337.013 where: short stacking energy: -161.610 Base-Backbone interact. energy: 1.445 local terms energy: -224.705662 where: bonds (distance) C4'-P energy: -50.580 bonds (distance) P-C4' energy: -62.398 flat angles C4'-P-C4' energy: -44.827 flat angles P-C4'-P energy: -34.919 tors. eta vs tors. theta energy: -31.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -479.574180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.574180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.574180 (E_RNA) where: Base-Base interactions energy: -289.706 where: short stacking energy: -143.085 Base-Backbone interact. energy: -0.367 local terms energy: -189.501016 where: bonds (distance) C4'-P energy: -48.174 bonds (distance) P-C4' energy: -38.743 flat angles C4'-P-C4' energy: -52.071 flat angles P-C4'-P energy: -31.044 tors. eta vs tors. theta energy: -19.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -457.552689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.552689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.552689 (E_RNA) where: Base-Base interactions energy: -246.936 where: short stacking energy: -124.826 Base-Backbone interact. energy: 0.222 local terms energy: -210.839596 where: bonds (distance) C4'-P energy: -52.243 bonds (distance) P-C4' energy: -56.169 flat angles C4'-P-C4' energy: -54.354 flat angles P-C4'-P energy: -28.936 tors. eta vs tors. theta energy: -19.138 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: 3 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -272.154240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.154240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.154240 (E_RNA) where: Base-Base interactions energy: -103.822 where: short stacking energy: -86.450 Base-Backbone interact. energy: -0.955 local terms energy: -167.377758 where: bonds (distance) C4'-P energy: -42.382 bonds (distance) P-C4' energy: -52.963 flat angles C4'-P-C4' energy: -46.757 flat angles P-C4'-P energy: -23.354 tors. eta vs tors. theta energy: -1.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1048.108702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.108702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.108702 (E_RNA) where: Base-Base interactions energy: -736.921 where: short stacking energy: -290.961 Base-Backbone interact. energy: 0.279 local terms energy: -311.466400 where: bonds (distance) C4'-P energy: -60.655 bonds (distance) P-C4' energy: -62.175 flat angles C4'-P-C4' energy: -59.178 flat angles P-C4'-P energy: -48.564 tors. eta vs tors. theta energy: -80.895 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: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1030.979540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.979540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.979540 (E_RNA) where: Base-Base interactions energy: -716.154 where: short stacking energy: -306.114 Base-Backbone interact. energy: -2.004 local terms energy: -312.821375 where: bonds (distance) C4'-P energy: -57.419 bonds (distance) P-C4' energy: -62.193 flat angles C4'-P-C4' energy: -70.575 flat angles P-C4'-P energy: -28.562 tors. eta vs tors. theta energy: -94.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -950.317288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.317288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.317288 (E_RNA) where: Base-Base interactions energy: -645.143 where: short stacking energy: -282.121 Base-Backbone interact. energy: -2.994 local terms energy: -302.179738 where: bonds (distance) C4'-P energy: -50.586 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -64.709 flat angles P-C4'-P energy: -41.240 tors. eta vs tors. theta energy: -81.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -882.304736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.304736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.304736 (E_RNA) where: Base-Base interactions energy: -604.076 where: short stacking energy: -253.795 Base-Backbone interact. energy: -1.648 local terms energy: -276.580762 where: bonds (distance) C4'-P energy: -60.758 bonds (distance) P-C4' energy: -50.649 flat angles C4'-P-C4' energy: -50.638 flat angles P-C4'-P energy: -48.486 tors. eta vs tors. theta energy: -66.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -836.894532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.894532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.894532 (E_RNA) where: Base-Base interactions energy: -546.102 where: short stacking energy: -239.937 Base-Backbone interact. energy: -0.251 local terms energy: -290.541110 where: bonds (distance) C4'-P energy: -52.364 bonds (distance) P-C4' energy: -60.766 flat angles C4'-P-C4' energy: -61.269 flat angles P-C4'-P energy: -47.355 tors. eta vs tors. theta energy: -68.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -711.666899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.666899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.666899 (E_RNA) where: Base-Base interactions energy: -431.396 where: short stacking energy: -189.762 Base-Backbone interact. energy: -0.805 local terms energy: -279.465541 where: bonds (distance) C4'-P energy: -64.346 bonds (distance) P-C4' energy: -71.897 flat angles C4'-P-C4' energy: -53.110 flat angles P-C4'-P energy: -39.266 tors. eta vs tors. theta energy: -50.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -608.377108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.377108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.377108 (E_RNA) where: Base-Base interactions energy: -357.221 where: short stacking energy: -168.262 Base-Backbone interact. energy: -0.138 local terms energy: -251.017563 where: bonds (distance) C4'-P energy: -54.800 bonds (distance) P-C4' energy: -59.357 flat angles C4'-P-C4' energy: -60.235 flat angles P-C4'-P energy: -41.040 tors. eta vs tors. theta energy: -35.586 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: 8, replica: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -484.608342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.608342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.608342 (E_RNA) where: Base-Base interactions energy: -258.794 where: short stacking energy: -125.407 Base-Backbone interact. energy: -1.678 local terms energy: -224.136631 where: bonds (distance) C4'-P energy: -45.687 bonds (distance) P-C4' energy: -59.243 flat angles C4'-P-C4' energy: -51.580 flat angles P-C4'-P energy: -40.042 tors. eta vs tors. theta energy: -27.584 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: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -443.210939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.210939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.210939 (E_RNA) where: Base-Base interactions energy: -251.387 where: short stacking energy: -127.807 Base-Backbone interact. energy: 1.057 local terms energy: -192.881568 where: bonds (distance) C4'-P energy: -47.302 bonds (distance) P-C4' energy: -49.172 flat angles C4'-P-C4' energy: -53.731 flat angles P-C4'-P energy: -30.212 tors. eta vs tors. theta energy: -12.464 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: 3 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -336.551821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.551821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.551821 (E_RNA) where: Base-Base interactions energy: -147.408 where: short stacking energy: -97.683 Base-Backbone interact. energy: -0.234 local terms energy: -188.909623 where: bonds (distance) C4'-P energy: -57.434 bonds (distance) P-C4' energy: -63.383 flat angles C4'-P-C4' energy: -41.400 flat angles P-C4'-P energy: -26.394 tors. eta vs tors. theta energy: -0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1032.644281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.644281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.644281 (E_RNA) where: Base-Base interactions energy: -726.180 where: short stacking energy: -276.999 Base-Backbone interact. energy: -1.808 local terms energy: -304.655930 where: bonds (distance) C4'-P energy: -47.137 bonds (distance) P-C4' energy: -61.647 flat angles C4'-P-C4' energy: -69.873 flat angles P-C4'-P energy: -43.682 tors. eta vs tors. theta energy: -82.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1038.338977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.338977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.338977 (E_RNA) where: Base-Base interactions energy: -705.974 where: short stacking energy: -302.677 Base-Backbone interact. energy: -0.381 local terms energy: -331.984294 where: bonds (distance) C4'-P energy: -57.557 bonds (distance) P-C4' energy: -60.934 flat angles C4'-P-C4' energy: -74.489 flat angles P-C4'-P energy: -45.174 tors. eta vs tors. theta energy: -93.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -950.632437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.632437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.632437 (E_RNA) where: Base-Base interactions energy: -639.573 where: short stacking energy: -269.046 Base-Backbone interact. energy: -0.381 local terms energy: -310.678258 where: bonds (distance) C4'-P energy: -60.884 bonds (distance) P-C4' energy: -71.299 flat angles C4'-P-C4' energy: -64.755 flat angles P-C4'-P energy: -38.856 tors. eta vs tors. theta energy: -74.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -881.939611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.939611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.939611 (E_RNA) where: Base-Base interactions energy: -615.468 where: short stacking energy: -267.144 Base-Backbone interact. energy: 0.079 local terms energy: -266.550971 where: bonds (distance) C4'-P energy: -55.414 bonds (distance) P-C4' energy: -57.352 flat angles C4'-P-C4' energy: -56.495 flat angles P-C4'-P energy: -33.274 tors. eta vs tors. theta energy: -64.016 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: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -815.297414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.297414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.297414 (E_RNA) where: Base-Base interactions energy: -530.840 where: short stacking energy: -221.603 Base-Backbone interact. energy: 0.477 local terms energy: -284.934772 where: bonds (distance) C4'-P energy: -62.069 bonds (distance) P-C4' energy: -66.818 flat angles C4'-P-C4' energy: -56.798 flat angles P-C4'-P energy: -39.198 tors. eta vs tors. theta energy: -60.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -675.490502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.490502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.490502 (E_RNA) where: Base-Base interactions energy: -420.886 where: short stacking energy: -205.256 Base-Backbone interact. energy: -0.892 local terms energy: -253.711934 where: bonds (distance) C4'-P energy: -50.106 bonds (distance) P-C4' energy: -41.164 flat angles C4'-P-C4' energy: -63.499 flat angles P-C4'-P energy: -49.732 tors. eta vs tors. theta energy: -49.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -590.424891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.424891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.424891 (E_RNA) where: Base-Base interactions energy: -340.252 where: short stacking energy: -147.570 Base-Backbone interact. energy: 4.473 local terms energy: -254.646333 where: bonds (distance) C4'-P energy: -57.851 bonds (distance) P-C4' energy: -51.570 flat angles C4'-P-C4' energy: -68.893 flat angles P-C4'-P energy: -41.226 tors. eta vs tors. theta energy: -35.108 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: 8, replica: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -488.324331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.324331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.324331 (E_RNA) where: Base-Base interactions energy: -262.178 where: short stacking energy: -126.154 Base-Backbone interact. energy: 0.096 local terms energy: -226.241657 where: bonds (distance) C4'-P energy: -58.819 bonds (distance) P-C4' energy: -62.991 flat angles C4'-P-C4' energy: -53.440 flat angles P-C4'-P energy: -35.103 tors. eta vs tors. theta energy: -15.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -446.561636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.561636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.561636 (E_RNA) where: Base-Base interactions energy: -258.699 where: short stacking energy: -125.912 Base-Backbone interact. energy: 1.469 local terms energy: -189.332453 where: bonds (distance) C4'-P energy: -50.916 bonds (distance) P-C4' energy: -43.247 flat angles C4'-P-C4' energy: -49.771 flat angles P-C4'-P energy: -31.218 tors. eta vs tors. theta energy: -14.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -311.904063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.904063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.904063 (E_RNA) where: Base-Base interactions energy: -142.072 where: short stacking energy: -90.152 Base-Backbone interact. energy: -0.304 local terms energy: -169.528160 where: bonds (distance) C4'-P energy: -47.480 bonds (distance) P-C4' energy: -59.355 flat angles C4'-P-C4' energy: -46.727 flat angles P-C4'-P energy: -21.729 tors. eta vs tors. theta energy: 5.763 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: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1050.139277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.139277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.139277 (E_RNA) where: Base-Base interactions energy: -734.104 where: short stacking energy: -281.959 Base-Backbone interact. energy: -0.168 local terms energy: -315.866944 where: bonds (distance) C4'-P energy: -61.805 bonds (distance) P-C4' energy: -58.566 flat angles C4'-P-C4' energy: -71.023 flat angles P-C4'-P energy: -43.403 tors. eta vs tors. theta energy: -81.069 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: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1022.952830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.952830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.952830 (E_RNA) where: Base-Base interactions energy: -705.118 where: short stacking energy: -279.519 Base-Backbone interact. energy: -0.276 local terms energy: -317.559125 where: bonds (distance) C4'-P energy: -56.784 bonds (distance) P-C4' energy: -61.783 flat angles C4'-P-C4' energy: -64.213 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -85.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -946.261893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.261893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.261893 (E_RNA) where: Base-Base interactions energy: -636.312 where: short stacking energy: -265.449 Base-Backbone interact. energy: 0.614 local terms energy: -310.564640 where: bonds (distance) C4'-P energy: -59.627 bonds (distance) P-C4' energy: -57.707 flat angles C4'-P-C4' energy: -69.577 flat angles P-C4'-P energy: -44.261 tors. eta vs tors. theta energy: -79.393 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: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -890.210331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.210331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.210331 (E_RNA) where: Base-Base interactions energy: -604.607 where: short stacking energy: -281.826 Base-Backbone interact. energy: -1.384 local terms energy: -284.219304 where: bonds (distance) C4'-P energy: -50.102 bonds (distance) P-C4' energy: -62.995 flat angles C4'-P-C4' energy: -63.755 flat angles P-C4'-P energy: -33.981 tors. eta vs tors. theta energy: -73.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -788.857998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.857998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.857998 (E_RNA) where: Base-Base interactions energy: -522.459 where: short stacking energy: -209.412 Base-Backbone interact. energy: -0.745 local terms energy: -265.654468 where: bonds (distance) C4'-P energy: -49.228 bonds (distance) P-C4' energy: -62.423 flat angles C4'-P-C4' energy: -59.560 flat angles P-C4'-P energy: -33.218 tors. eta vs tors. theta energy: -61.225 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: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -661.877897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.877897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.877897 (E_RNA) where: Base-Base interactions energy: -423.637 where: short stacking energy: -200.918 Base-Backbone interact. energy: 1.186 local terms energy: -239.426969 where: bonds (distance) C4'-P energy: -47.509 bonds (distance) P-C4' energy: -50.717 flat angles C4'-P-C4' energy: -58.174 flat angles P-C4'-P energy: -30.371 tors. eta vs tors. theta energy: -52.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -579.760953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.760953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.760953 (E_RNA) where: Base-Base interactions energy: -338.418 where: short stacking energy: -157.774 Base-Backbone interact. energy: 1.047 local terms energy: -242.389719 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -59.552 flat angles C4'-P-C4' energy: -55.624 flat angles P-C4'-P energy: -28.411 tors. eta vs tors. theta energy: -36.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -490.016483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.016483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.016483 (E_RNA) where: Base-Base interactions energy: -280.353 where: short stacking energy: -143.540 Base-Backbone interact. energy: -1.089 local terms energy: -208.574337 where: bonds (distance) C4'-P energy: -50.011 bonds (distance) P-C4' energy: -42.374 flat angles C4'-P-C4' energy: -56.828 flat angles P-C4'-P energy: -35.334 tors. eta vs tors. theta energy: -24.028 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: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -437.298621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.298621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.298621 (E_RNA) where: Base-Base interactions energy: -232.122 where: short stacking energy: -124.223 Base-Backbone interact. energy: -1.541 local terms energy: -203.635498 where: bonds (distance) C4'-P energy: -46.002 bonds (distance) P-C4' energy: -60.620 flat angles C4'-P-C4' energy: -53.987 flat angles P-C4'-P energy: -33.769 tors. eta vs tors. theta energy: -9.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -261.733237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.733237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.733237 (E_RNA) where: Base-Base interactions energy: -85.460 where: short stacking energy: -77.165 Base-Backbone interact. energy: -0.512 local terms energy: -175.760675 where: bonds (distance) C4'-P energy: -52.408 bonds (distance) P-C4' energy: -54.201 flat angles C4'-P-C4' energy: -41.353 flat angles P-C4'-P energy: -27.812 tors. eta vs tors. theta energy: 0.013 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: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1044.275718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.275718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.275718 (E_RNA) where: Base-Base interactions energy: -727.080 where: short stacking energy: -285.728 Base-Backbone interact. energy: -3.550 local terms energy: -313.645716 where: bonds (distance) C4'-P energy: -63.490 bonds (distance) P-C4' energy: -56.833 flat angles C4'-P-C4' energy: -62.871 flat angles P-C4'-P energy: -50.249 tors. eta vs tors. theta energy: -80.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1016.660295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.660295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.660295 (E_RNA) where: Base-Base interactions energy: -686.601 where: short stacking energy: -274.464 Base-Backbone interact. energy: -0.264 local terms energy: -329.795115 where: bonds (distance) C4'-P energy: -67.689 bonds (distance) P-C4' energy: -61.649 flat angles C4'-P-C4' energy: -70.293 flat angles P-C4'-P energy: -42.760 tors. eta vs tors. theta energy: -87.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -943.865153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.865153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.865153 (E_RNA) where: Base-Base interactions energy: -649.503 where: short stacking energy: -262.866 Base-Backbone interact. energy: -1.146 local terms energy: -293.215596 where: bonds (distance) C4'-P energy: -49.385 bonds (distance) P-C4' energy: -63.397 flat angles C4'-P-C4' energy: -60.159 flat angles P-C4'-P energy: -43.530 tors. eta vs tors. theta energy: -76.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -913.154394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.154394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.154394 (E_RNA) where: Base-Base interactions energy: -609.481 where: short stacking energy: -279.071 Base-Backbone interact. energy: -0.889 local terms energy: -302.784351 where: bonds (distance) C4'-P energy: -48.056 bonds (distance) P-C4' energy: -66.967 flat angles C4'-P-C4' energy: -59.849 flat angles P-C4'-P energy: -40.159 tors. eta vs tors. theta energy: -87.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -796.082047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.082047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.082047 (E_RNA) where: Base-Base interactions energy: -524.067 where: short stacking energy: -229.346 Base-Backbone interact. energy: -1.976 local terms energy: -270.039169 where: bonds (distance) C4'-P energy: -54.875 bonds (distance) P-C4' energy: -55.527 flat angles C4'-P-C4' energy: -59.924 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: -60.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -656.924864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.924864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.924864 (E_RNA) where: Base-Base interactions energy: -404.671 where: short stacking energy: -177.982 Base-Backbone interact. energy: -1.729 local terms energy: -250.525280 where: bonds (distance) C4'-P energy: -52.635 bonds (distance) P-C4' energy: -49.959 flat angles C4'-P-C4' energy: -55.067 flat angles P-C4'-P energy: -38.039 tors. eta vs tors. theta energy: -54.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -579.911399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.911399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.911399 (E_RNA) where: Base-Base interactions energy: -353.662 where: short stacking energy: -178.938 Base-Backbone interact. energy: -1.597 local terms energy: -224.652847 where: bonds (distance) C4'-P energy: -51.764 bonds (distance) P-C4' energy: -61.388 flat angles C4'-P-C4' energy: -47.678 flat angles P-C4'-P energy: -27.130 tors. eta vs tors. theta energy: -36.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -478.303097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.303097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.303097 (E_RNA) where: Base-Base interactions energy: -272.149 where: short stacking energy: -147.646 Base-Backbone interact. energy: 0.263 local terms energy: -206.417358 where: bonds (distance) C4'-P energy: -35.872 bonds (distance) P-C4' energy: -57.595 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -26.993 tors. eta vs tors. theta energy: -20.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -477.671145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.671145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.671145 (E_RNA) where: Base-Base interactions energy: -262.577 where: short stacking energy: -134.485 Base-Backbone interact. energy: -2.748 local terms energy: -212.346158 where: bonds (distance) C4'-P energy: -46.932 bonds (distance) P-C4' energy: -46.988 flat angles C4'-P-C4' energy: -58.508 flat angles P-C4'-P energy: -41.973 tors. eta vs tors. theta energy: -17.946 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: 10, replica: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -269.346346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.346346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.346346 (E_RNA) where: Base-Base interactions energy: -109.486 where: short stacking energy: -98.909 Base-Backbone interact. energy: -0.577 local terms energy: -159.283243 where: bonds (distance) C4'-P energy: -51.830 bonds (distance) P-C4' energy: -51.027 flat angles C4'-P-C4' energy: -34.127 flat angles P-C4'-P energy: -21.127 tors. eta vs tors. theta energy: -1.172 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: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1040.095824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.095824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.095824 (E_RNA) where: Base-Base interactions energy: -727.943 where: short stacking energy: -289.378 Base-Backbone interact. energy: -3.146 local terms energy: -309.007157 where: bonds (distance) C4'-P energy: -57.911 bonds (distance) P-C4' energy: -53.342 flat angles C4'-P-C4' energy: -67.775 flat angles P-C4'-P energy: -46.727 tors. eta vs tors. theta energy: -83.252 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: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1016.424815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.424815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.424815 (E_RNA) where: Base-Base interactions energy: -696.253 where: short stacking energy: -293.246 Base-Backbone interact. energy: -0.517 local terms energy: -319.654630 where: bonds (distance) C4'-P energy: -63.531 bonds (distance) P-C4' energy: -55.948 flat angles C4'-P-C4' energy: -64.187 flat angles P-C4'-P energy: -47.016 tors. eta vs tors. theta energy: -88.972 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: 1 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -941.344695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.344695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.344695 (E_RNA) where: Base-Base interactions energy: -649.242 where: short stacking energy: -266.194 Base-Backbone interact. energy: -0.881 local terms energy: -291.221983 where: bonds (distance) C4'-P energy: -51.146 bonds (distance) P-C4' energy: -64.993 flat angles C4'-P-C4' energy: -59.831 flat angles P-C4'-P energy: -35.760 tors. eta vs tors. theta energy: -79.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -874.472576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.472576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.472576 (E_RNA) where: Base-Base interactions energy: -578.544 where: short stacking energy: -266.528 Base-Backbone interact. energy: -1.550 local terms energy: -294.378548 where: bonds (distance) C4'-P energy: -52.807 bonds (distance) P-C4' energy: -59.076 flat angles C4'-P-C4' energy: -63.607 flat angles P-C4'-P energy: -39.197 tors. eta vs tors. theta energy: -79.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -802.928981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.928981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.928981 (E_RNA) where: Base-Base interactions energy: -510.236 where: short stacking energy: -225.050 Base-Backbone interact. energy: -0.485 local terms energy: -292.208424 where: bonds (distance) C4'-P energy: -55.859 bonds (distance) P-C4' energy: -64.722 flat angles C4'-P-C4' energy: -66.631 flat angles P-C4'-P energy: -44.133 tors. eta vs tors. theta energy: -60.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -614.996089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.996089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.996089 (E_RNA) where: Base-Base interactions energy: -368.896 where: short stacking energy: -154.720 Base-Backbone interact. energy: -0.919 local terms energy: -245.180827 where: bonds (distance) C4'-P energy: -62.241 bonds (distance) P-C4' energy: -60.222 flat angles C4'-P-C4' energy: -54.715 flat angles P-C4'-P energy: -42.973 tors. eta vs tors. theta energy: -25.030 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: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -587.941667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.941667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.941667 (E_RNA) where: Base-Base interactions energy: -338.775 where: short stacking energy: -182.609 Base-Backbone interact. energy: -1.014 local terms energy: -248.151980 where: bonds (distance) C4'-P energy: -58.355 bonds (distance) P-C4' energy: -58.551 flat angles C4'-P-C4' energy: -59.748 flat angles P-C4'-P energy: -30.624 tors. eta vs tors. theta energy: -40.874 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: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -480.564501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.564501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.564501 (E_RNA) where: Base-Base interactions energy: -250.390 where: short stacking energy: -133.073 Base-Backbone interact. energy: 0.482 local terms energy: -230.656618 where: bonds (distance) C4'-P energy: -54.148 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -58.577 flat angles P-C4'-P energy: -39.695 tors. eta vs tors. theta energy: -19.169 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: 6 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -465.602977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.602977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.602977 (E_RNA) where: Base-Base interactions energy: -246.080 where: short stacking energy: -116.511 Base-Backbone interact. energy: -2.066 local terms energy: -217.457003 where: bonds (distance) C4'-P energy: -51.478 bonds (distance) P-C4' energy: -59.628 flat angles C4'-P-C4' energy: -60.718 flat angles P-C4'-P energy: -27.052 tors. eta vs tors. theta energy: -18.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -246.891049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.891049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.891049 (E_RNA) where: Base-Base interactions energy: -87.975 where: short stacking energy: -67.799 Base-Backbone interact. energy: -0.870 local terms energy: -158.045913 where: bonds (distance) C4'-P energy: -53.491 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -36.696 flat angles P-C4'-P energy: -18.076 tors. eta vs tors. theta energy: 15.586 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: 1, replica: 8 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1056.037131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.037131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.037131 (E_RNA) where: Base-Base interactions energy: -719.817 where: short stacking energy: -293.602 Base-Backbone interact. energy: -3.655 local terms energy: -332.566088 where: bonds (distance) C4'-P energy: -59.795 bonds (distance) P-C4' energy: -71.266 flat angles C4'-P-C4' energy: -68.345 flat angles P-C4'-P energy: -51.278 tors. eta vs tors. theta energy: -81.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1009.750434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.750434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.750434 (E_RNA) where: Base-Base interactions energy: -667.056 where: short stacking energy: -286.227 Base-Backbone interact. energy: -0.314 local terms energy: -342.380400 where: bonds (distance) C4'-P energy: -63.641 bonds (distance) P-C4' energy: -63.830 flat angles C4'-P-C4' energy: -72.570 flat angles P-C4'-P energy: -54.555 tors. eta vs tors. theta energy: -87.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -943.655960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.655960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.655960 (E_RNA) where: Base-Base interactions energy: -626.432 where: short stacking energy: -260.861 Base-Backbone interact. energy: -1.703 local terms energy: -315.520272 where: bonds (distance) C4'-P energy: -66.936 bonds (distance) P-C4' energy: -69.555 flat angles C4'-P-C4' energy: -69.002 flat angles P-C4'-P energy: -33.470 tors. eta vs tors. theta energy: -76.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -853.483588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.483588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.483588 (E_RNA) where: Base-Base interactions energy: -557.014 where: short stacking energy: -231.760 Base-Backbone interact. energy: -3.770 local terms energy: -292.699672 where: bonds (distance) C4'-P energy: -58.757 bonds (distance) P-C4' energy: -52.691 flat angles C4'-P-C4' energy: -68.856 flat angles P-C4'-P energy: -42.439 tors. eta vs tors. theta energy: -69.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -811.636213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.636213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.636213 (E_RNA) where: Base-Base interactions energy: -541.185 where: short stacking energy: -236.154 Base-Backbone interact. energy: 3.248 local terms energy: -273.699610 where: bonds (distance) C4'-P energy: -47.346 bonds (distance) P-C4' energy: -57.001 flat angles C4'-P-C4' energy: -64.991 flat angles P-C4'-P energy: -42.513 tors. eta vs tors. theta energy: -61.849 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: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -613.932866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.932866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.932866 (E_RNA) where: Base-Base interactions energy: -369.417 where: short stacking energy: -163.845 Base-Backbone interact. energy: 1.380 local terms energy: -245.895917 where: bonds (distance) C4'-P energy: -60.054 bonds (distance) P-C4' energy: -59.328 flat angles C4'-P-C4' energy: -58.721 flat angles P-C4'-P energy: -30.956 tors. eta vs tors. theta energy: -36.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -578.268415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.268415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.268415 (E_RNA) where: Base-Base interactions energy: -349.583 where: short stacking energy: -154.919 Base-Backbone interact. energy: -1.638 local terms energy: -227.048096 where: bonds (distance) C4'-P energy: -46.535 bonds (distance) P-C4' energy: -54.425 flat angles C4'-P-C4' energy: -59.280 flat angles P-C4'-P energy: -35.901 tors. eta vs tors. theta energy: -30.907 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: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -487.444109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.444109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.444109 (E_RNA) where: Base-Base interactions energy: -264.424 where: short stacking energy: -150.913 Base-Backbone interact. energy: -0.630 local terms energy: -222.389424 where: bonds (distance) C4'-P energy: -56.691 bonds (distance) P-C4' energy: -47.450 flat angles C4'-P-C4' energy: -47.426 flat angles P-C4'-P energy: -37.593 tors. eta vs tors. theta energy: -33.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -460.410162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.410162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.410162 (E_RNA) where: Base-Base interactions energy: -261.594 where: short stacking energy: -127.914 Base-Backbone interact. energy: 3.456 local terms energy: -202.271503 where: bonds (distance) C4'-P energy: -55.477 bonds (distance) P-C4' energy: -55.627 flat angles C4'-P-C4' energy: -39.925 flat angles P-C4'-P energy: -44.802 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -285.223190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.223190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.223190 (E_RNA) where: Base-Base interactions energy: -118.240 where: short stacking energy: -78.292 Base-Backbone interact. energy: -0.751 local terms energy: -166.232731 where: bonds (distance) C4'-P energy: -43.642 bonds (distance) P-C4' energy: -56.829 flat angles C4'-P-C4' energy: -42.596 flat angles P-C4'-P energy: -30.328 tors. eta vs tors. theta energy: 7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1029.106029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.106029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.106029 (E_RNA) where: Base-Base interactions energy: -702.012 where: short stacking energy: -292.228 Base-Backbone interact. energy: -2.762 local terms energy: -324.331863 where: bonds (distance) C4'-P energy: -59.851 bonds (distance) P-C4' energy: -62.413 flat angles C4'-P-C4' energy: -68.076 flat angles P-C4'-P energy: -49.692 tors. eta vs tors. theta energy: -84.300 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: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1018.519698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.519698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.519698 (E_RNA) where: Base-Base interactions energy: -692.621 where: short stacking energy: -308.822 Base-Backbone interact. energy: -0.773 local terms energy: -325.126024 where: bonds (distance) C4'-P energy: -56.188 bonds (distance) P-C4' energy: -58.001 flat angles C4'-P-C4' energy: -70.954 flat angles P-C4'-P energy: -50.000 tors. eta vs tors. theta energy: -89.983 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: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -920.641812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.641812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.641812 (E_RNA) where: Base-Base interactions energy: -596.592 where: short stacking energy: -272.677 Base-Backbone interact. energy: -1.028 local terms energy: -323.022035 where: bonds (distance) C4'-P energy: -64.435 bonds (distance) P-C4' energy: -55.410 flat angles C4'-P-C4' energy: -77.102 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: -79.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -876.060972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.060972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.060972 (E_RNA) where: Base-Base interactions energy: -579.928 where: short stacking energy: -255.230 Base-Backbone interact. energy: -1.478 local terms energy: -294.655237 where: bonds (distance) C4'-P energy: -57.942 bonds (distance) P-C4' energy: -52.988 flat angles C4'-P-C4' energy: -66.670 flat angles P-C4'-P energy: -44.309 tors. eta vs tors. theta energy: -72.746 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: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -801.948163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.948163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.948163 (E_RNA) where: Base-Base interactions energy: -525.175 where: short stacking energy: -225.977 Base-Backbone interact. energy: -0.609 local terms energy: -276.164459 where: bonds (distance) C4'-P energy: -66.160 bonds (distance) P-C4' energy: -47.750 flat angles C4'-P-C4' energy: -62.066 flat angles P-C4'-P energy: -41.237 tors. eta vs tors. theta energy: -58.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -652.565622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.565622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.565622 (E_RNA) where: Base-Base interactions energy: -401.991 where: short stacking energy: -185.764 Base-Backbone interact. energy: 1.613 local terms energy: -252.187944 where: bonds (distance) C4'-P energy: -51.991 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -67.067 flat angles P-C4'-P energy: -33.461 tors. eta vs tors. theta energy: -44.463 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: 7, replica: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -582.758642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.758642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.758642 (E_RNA) where: Base-Base interactions energy: -355.975 where: short stacking energy: -176.259 Base-Backbone interact. energy: 1.512 local terms energy: -228.295550 where: bonds (distance) C4'-P energy: -53.600 bonds (distance) P-C4' energy: -55.565 flat angles C4'-P-C4' energy: -51.150 flat angles P-C4'-P energy: -35.516 tors. eta vs tors. theta energy: -32.466 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: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -482.035057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.035057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.035057 (E_RNA) where: Base-Base interactions energy: -280.242 where: short stacking energy: -151.189 Base-Backbone interact. energy: 1.986 local terms energy: -203.778973 where: bonds (distance) C4'-P energy: -38.379 bonds (distance) P-C4' energy: -52.924 flat angles C4'-P-C4' energy: -55.034 flat angles P-C4'-P energy: -37.427 tors. eta vs tors. theta energy: -20.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -477.160617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.160617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.160617 (E_RNA) where: Base-Base interactions energy: -256.664 where: short stacking energy: -136.089 Base-Backbone interact. energy: 0.710 local terms energy: -221.206526 where: bonds (distance) C4'-P energy: -60.359 bonds (distance) P-C4' energy: -52.893 flat angles C4'-P-C4' energy: -48.755 flat angles P-C4'-P energy: -32.346 tors. eta vs tors. theta energy: -26.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -255.189622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.189622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.189622 (E_RNA) where: Base-Base interactions energy: -97.144 where: short stacking energy: -89.902 Base-Backbone interact. energy: 3.125 local terms energy: -161.170916 where: bonds (distance) C4'-P energy: -54.892 bonds (distance) P-C4' energy: -45.109 flat angles C4'-P-C4' energy: -42.144 flat angles P-C4'-P energy: -23.000 tors. eta vs tors. theta energy: 3.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1073.152696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.152696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.152696 (E_RNA) where: Base-Base interactions energy: -715.361 where: short stacking energy: -301.368 Base-Backbone interact. energy: -0.043 local terms energy: -357.749016 where: bonds (distance) C4'-P energy: -61.841 bonds (distance) P-C4' energy: -71.794 flat angles C4'-P-C4' energy: -78.238 flat angles P-C4'-P energy: -50.831 tors. eta vs tors. theta energy: -95.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -989.467703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.467703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.467703 (E_RNA) where: Base-Base interactions energy: -662.742 where: short stacking energy: -282.990 Base-Backbone interact. energy: -4.722 local terms energy: -322.004225 where: bonds (distance) C4'-P energy: -56.572 bonds (distance) P-C4' energy: -66.795 flat angles C4'-P-C4' energy: -65.615 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -80.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -932.621183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.621183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.621183 (E_RNA) where: Base-Base interactions energy: -619.325 where: short stacking energy: -273.798 Base-Backbone interact. energy: -1.962 local terms energy: -311.334307 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -60.522 flat angles C4'-P-C4' energy: -57.279 flat angles P-C4'-P energy: -45.793 tors. eta vs tors. theta energy: -80.943 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: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -888.102483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.102483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.102483 (E_RNA) where: Base-Base interactions energy: -592.072 where: short stacking energy: -244.049 Base-Backbone interact. energy: -1.274 local terms energy: -294.756057 where: bonds (distance) C4'-P energy: -41.751 bonds (distance) P-C4' energy: -61.867 flat angles C4'-P-C4' energy: -61.694 flat angles P-C4'-P energy: -46.030 tors. eta vs tors. theta energy: -83.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -797.705993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.705993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.705993 (E_RNA) where: Base-Base interactions energy: -501.896 where: short stacking energy: -222.379 Base-Backbone interact. energy: -0.087 local terms energy: -295.722729 where: bonds (distance) C4'-P energy: -63.334 bonds (distance) P-C4' energy: -56.158 flat angles C4'-P-C4' energy: -68.960 flat angles P-C4'-P energy: -40.991 tors. eta vs tors. theta energy: -66.280 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: 180 Temperature: 1.150000 Total energy: -634.339295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.339295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.339295 (E_RNA) where: Base-Base interactions energy: -386.588 where: short stacking energy: -196.548 Base-Backbone interact. energy: -2.066 local terms energy: -245.685433 where: bonds (distance) C4'-P energy: -42.213 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -50.647 flat angles P-C4'-P energy: -38.680 tors. eta vs tors. theta energy: -55.000 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: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -582.487019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.487019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.487019 (E_RNA) where: Base-Base interactions energy: -363.455 where: short stacking energy: -162.512 Base-Backbone interact. energy: 1.812 local terms energy: -220.843944 where: bonds (distance) C4'-P energy: -49.203 bonds (distance) P-C4' energy: -53.613 flat angles C4'-P-C4' energy: -50.228 flat angles P-C4'-P energy: -35.972 tors. eta vs tors. theta energy: -31.828 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: 8, replica: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -471.883770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.883770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.883770 (E_RNA) where: Base-Base interactions energy: -250.378 where: short stacking energy: -132.737 Base-Backbone interact. energy: -1.201 local terms energy: -220.304291 where: bonds (distance) C4'-P energy: -55.924 bonds (distance) P-C4' energy: -59.944 flat angles C4'-P-C4' energy: -54.599 flat angles P-C4'-P energy: -35.358 tors. eta vs tors. theta energy: -14.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -470.318208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.318208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.318208 (E_RNA) where: Base-Base interactions energy: -253.922 where: short stacking energy: -115.499 Base-Backbone interact. energy: 1.278 local terms energy: -217.673229 where: bonds (distance) C4'-P energy: -53.132 bonds (distance) P-C4' energy: -65.107 flat angles C4'-P-C4' energy: -43.451 flat angles P-C4'-P energy: -33.485 tors. eta vs tors. theta energy: -22.498 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: 10, replica: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -269.771574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.771574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.771574 (E_RNA) where: Base-Base interactions energy: -75.455 where: short stacking energy: -49.276 Base-Backbone interact. energy: -0.972 local terms energy: -193.344493 where: bonds (distance) C4'-P energy: -59.127 bonds (distance) P-C4' energy: -59.622 flat angles C4'-P-C4' energy: -48.444 flat angles P-C4'-P energy: -25.077 tors. eta vs tors. theta energy: -1.074 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: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1080.296850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.296850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.296850 (E_RNA) where: Base-Base interactions energy: -738.531 where: short stacking energy: -311.055 Base-Backbone interact. energy: -1.159 local terms energy: -340.606550 where: bonds (distance) C4'-P energy: -64.432 bonds (distance) P-C4' energy: -60.481 flat angles C4'-P-C4' energy: -67.501 flat angles P-C4'-P energy: -46.611 tors. eta vs tors. theta energy: -101.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1014.689318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.689318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.689318 (E_RNA) where: Base-Base interactions energy: -686.116 where: short stacking energy: -291.799 Base-Backbone interact. energy: -3.388 local terms energy: -325.185444 where: bonds (distance) C4'-P energy: -65.462 bonds (distance) P-C4' energy: -61.332 flat angles C4'-P-C4' energy: -76.310 flat angles P-C4'-P energy: -42.594 tors. eta vs tors. theta energy: -79.487 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: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -896.151008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.151008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.151008 (E_RNA) where: Base-Base interactions energy: -593.974 where: short stacking energy: -266.047 Base-Backbone interact. energy: -2.269 local terms energy: -299.907204 where: bonds (distance) C4'-P energy: -51.639 bonds (distance) P-C4' energy: -65.744 flat angles C4'-P-C4' energy: -57.952 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -78.694 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: 2 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -890.101286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.101286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.101286 (E_RNA) where: Base-Base interactions energy: -605.835 where: short stacking energy: -256.866 Base-Backbone interact. energy: -1.089 local terms energy: -283.176842 where: bonds (distance) C4'-P energy: -49.745 bonds (distance) P-C4' energy: -52.744 flat angles C4'-P-C4' energy: -63.367 flat angles P-C4'-P energy: -45.767 tors. eta vs tors. theta energy: -71.553 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: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -788.379718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.379718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.379718 (E_RNA) where: Base-Base interactions energy: -498.624 where: short stacking energy: -226.574 Base-Backbone interact. energy: -1.003 local terms energy: -288.752997 where: bonds (distance) C4'-P energy: -55.203 bonds (distance) P-C4' energy: -59.101 flat angles C4'-P-C4' energy: -71.812 flat angles P-C4'-P energy: -38.975 tors. eta vs tors. theta energy: -63.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -619.741697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.741697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.741697 (E_RNA) where: Base-Base interactions energy: -353.222 where: short stacking energy: -170.614 Base-Backbone interact. energy: 0.702 local terms energy: -267.221477 where: bonds (distance) C4'-P energy: -59.681 bonds (distance) P-C4' energy: -58.683 flat angles C4'-P-C4' energy: -64.367 flat angles P-C4'-P energy: -36.993 tors. eta vs tors. theta energy: -47.498 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: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -583.732015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.732015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.732015 (E_RNA) where: Base-Base interactions energy: -345.432 where: short stacking energy: -174.763 Base-Backbone interact. energy: 0.273 local terms energy: -238.573208 where: bonds (distance) C4'-P energy: -44.820 bonds (distance) P-C4' energy: -61.515 flat angles C4'-P-C4' energy: -60.334 flat angles P-C4'-P energy: -30.854 tors. eta vs tors. theta energy: -41.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -482.947715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.947715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.947715 (E_RNA) where: Base-Base interactions energy: -272.858 where: short stacking energy: -149.082 Base-Backbone interact. energy: 0.012 local terms energy: -210.102096 where: bonds (distance) C4'-P energy: -50.730 bonds (distance) P-C4' energy: -45.274 flat angles C4'-P-C4' energy: -58.215 flat angles P-C4'-P energy: -31.052 tors. eta vs tors. theta energy: -24.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -443.985636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.985636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.985636 (E_RNA) where: Base-Base interactions energy: -242.299 where: short stacking energy: -130.175 Base-Backbone interact. energy: -0.720 local terms energy: -200.965988 where: bonds (distance) C4'-P energy: -52.248 bonds (distance) P-C4' energy: -53.353 flat angles C4'-P-C4' energy: -45.505 flat angles P-C4'-P energy: -29.610 tors. eta vs tors. theta energy: -20.250 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: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -274.105471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.105471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.105471 (E_RNA) where: Base-Base interactions energy: -116.661 where: short stacking energy: -103.779 Base-Backbone interact. energy: 3.529 local terms energy: -160.973114 where: bonds (distance) C4'-P energy: -50.063 bonds (distance) P-C4' energy: -39.017 flat angles C4'-P-C4' energy: -50.931 flat angles P-C4'-P energy: -14.698 tors. eta vs tors. theta energy: -6.265 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: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1051.600612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.600612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.600612 (E_RNA) where: Base-Base interactions energy: -700.530 where: short stacking energy: -303.458 Base-Backbone interact. energy: -1.349 local terms energy: -349.721707 where: bonds (distance) C4'-P energy: -62.697 bonds (distance) P-C4' energy: -64.689 flat angles C4'-P-C4' energy: -70.838 flat angles P-C4'-P energy: -46.816 tors. eta vs tors. theta energy: -104.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -967.300440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.300440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.300440 (E_RNA) where: Base-Base interactions energy: -645.725 where: short stacking energy: -268.753 Base-Backbone interact. energy: -2.273 local terms energy: -319.302328 where: bonds (distance) C4'-P energy: -67.075 bonds (distance) P-C4' energy: -63.808 flat angles C4'-P-C4' energy: -62.851 flat angles P-C4'-P energy: -47.911 tors. eta vs tors. theta energy: -77.657 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: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -936.801787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.801787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.801787 (E_RNA) where: Base-Base interactions energy: -605.405 where: short stacking energy: -249.158 Base-Backbone interact. energy: -2.273 local terms energy: -329.122889 where: bonds (distance) C4'-P energy: -68.354 bonds (distance) P-C4' energy: -60.072 flat angles C4'-P-C4' energy: -73.213 flat angles P-C4'-P energy: -46.774 tors. eta vs tors. theta energy: -80.710 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: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -884.339083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.339083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.339083 (E_RNA) where: Base-Base interactions energy: -590.161 where: short stacking energy: -246.167 Base-Backbone interact. energy: -0.450 local terms energy: -293.728661 where: bonds (distance) C4'-P energy: -64.336 bonds (distance) P-C4' energy: -62.567 flat angles C4'-P-C4' energy: -62.162 flat angles P-C4'-P energy: -31.700 tors. eta vs tors. theta energy: -72.964 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: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -777.178974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.178974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.178974 (E_RNA) where: Base-Base interactions energy: -521.293 where: short stacking energy: -221.784 Base-Backbone interact. energy: -0.341 local terms energy: -255.545197 where: bonds (distance) C4'-P energy: -47.639 bonds (distance) P-C4' energy: -54.060 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -28.183 tors. eta vs tors. theta energy: -56.013 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: 6, replica: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -595.172251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.172251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.172251 (E_RNA) where: Base-Base interactions energy: -370.283 where: short stacking energy: -188.332 Base-Backbone interact. energy: -0.142 local terms energy: -224.747044 where: bonds (distance) C4'-P energy: -61.718 bonds (distance) P-C4' energy: -52.730 flat angles C4'-P-C4' energy: -47.038 flat angles P-C4'-P energy: -27.643 tors. eta vs tors. theta energy: -35.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -562.212542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.212542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.212542 (E_RNA) where: Base-Base interactions energy: -332.865 where: short stacking energy: -166.319 Base-Backbone interact. energy: 1.774 local terms energy: -231.122013 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -55.875 flat angles C4'-P-C4' energy: -63.606 flat angles P-C4'-P energy: -26.632 tors. eta vs tors. theta energy: -28.756 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: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -505.531729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.531729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.531729 (E_RNA) where: Base-Base interactions energy: -300.029 where: short stacking energy: -139.791 Base-Backbone interact. energy: 1.010 local terms energy: -206.512262 where: bonds (distance) C4'-P energy: -48.314 bonds (distance) P-C4' energy: -57.254 flat angles C4'-P-C4' energy: -48.175 flat angles P-C4'-P energy: -28.670 tors. eta vs tors. theta energy: -24.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -451.168653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.168653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.168653 (E_RNA) where: Base-Base interactions energy: -235.576 where: short stacking energy: -132.131 Base-Backbone interact. energy: -0.117 local terms energy: -215.475675 where: bonds (distance) C4'-P energy: -53.768 bonds (distance) P-C4' energy: -53.125 flat angles C4'-P-C4' energy: -55.331 flat angles P-C4'-P energy: -32.948 tors. eta vs tors. theta energy: -20.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -267.609493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.609493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.609493 (E_RNA) where: Base-Base interactions energy: -88.063 where: short stacking energy: -81.969 Base-Backbone interact. energy: -0.566 local terms energy: -178.979722 where: bonds (distance) C4'-P energy: -63.052 bonds (distance) P-C4' energy: -57.207 flat angles C4'-P-C4' energy: -45.678 flat angles P-C4'-P energy: -19.584 tors. eta vs tors. theta energy: 6.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1064.557639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.557639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.557639 (E_RNA) where: Base-Base interactions energy: -719.496 where: short stacking energy: -312.193 Base-Backbone interact. energy: 0.126 local terms energy: -345.188057 where: bonds (distance) C4'-P energy: -62.726 bonds (distance) P-C4' energy: -68.118 flat angles C4'-P-C4' energy: -75.706 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: -89.091 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: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -997.708353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.708353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.708353 (E_RNA) where: Base-Base interactions energy: -683.510 where: short stacking energy: -297.218 Base-Backbone interact. energy: 0.016 local terms energy: -314.214090 where: bonds (distance) C4'-P energy: -50.153 bonds (distance) P-C4' energy: -58.682 flat angles C4'-P-C4' energy: -64.087 flat angles P-C4'-P energy: -47.106 tors. eta vs tors. theta energy: -94.185 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: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -935.347174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.347174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.347174 (E_RNA) where: Base-Base interactions energy: -606.004 where: short stacking energy: -283.981 Base-Backbone interact. energy: 0.127 local terms energy: -329.470136 where: bonds (distance) C4'-P energy: -70.196 bonds (distance) P-C4' energy: -57.177 flat angles C4'-P-C4' energy: -69.730 flat angles P-C4'-P energy: -40.888 tors. eta vs tors. theta energy: -91.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -866.766337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.766337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.766337 (E_RNA) where: Base-Base interactions energy: -569.482 where: short stacking energy: -249.075 Base-Backbone interact. energy: 1.338 local terms energy: -298.622688 where: bonds (distance) C4'-P energy: -59.835 bonds (distance) P-C4' energy: -56.845 flat angles C4'-P-C4' energy: -68.175 flat angles P-C4'-P energy: -42.511 tors. eta vs tors. theta energy: -71.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -815.081895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.081895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.081895 (E_RNA) where: Base-Base interactions energy: -530.321 where: short stacking energy: -241.304 Base-Backbone interact. energy: -0.797 local terms energy: -283.963976 where: bonds (distance) C4'-P energy: -46.401 bonds (distance) P-C4' energy: -57.283 flat angles C4'-P-C4' energy: -64.903 flat angles P-C4'-P energy: -44.539 tors. eta vs tors. theta energy: -70.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -631.936610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.936610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.936610 (E_RNA) where: Base-Base interactions energy: -371.624 where: short stacking energy: -166.411 Base-Backbone interact. energy: -0.480 local terms energy: -259.832623 where: bonds (distance) C4'-P energy: -64.319 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -59.166 flat angles P-C4'-P energy: -36.077 tors. eta vs tors. theta energy: -36.207 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: 7, replica: 7 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -596.037055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.037055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.037055 (E_RNA) where: Base-Base interactions energy: -340.245 where: short stacking energy: -144.671 Base-Backbone interact. energy: -2.354 local terms energy: -253.437852 where: bonds (distance) C4'-P energy: -56.395 bonds (distance) P-C4' energy: -64.280 flat angles C4'-P-C4' energy: -58.411 flat angles P-C4'-P energy: -35.193 tors. eta vs tors. theta energy: -39.159 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: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -532.499776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.499776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.499776 (E_RNA) where: Base-Base interactions energy: -328.425 where: short stacking energy: -161.554 Base-Backbone interact. energy: 0.631 local terms energy: -204.705961 where: bonds (distance) C4'-P energy: -53.533 bonds (distance) P-C4' energy: -43.921 flat angles C4'-P-C4' energy: -53.589 flat angles P-C4'-P energy: -27.191 tors. eta vs tors. theta energy: -26.472 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: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -505.134826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.134826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.134826 (E_RNA) where: Base-Base interactions energy: -277.778 where: short stacking energy: -149.926 Base-Backbone interact. energy: -0.423 local terms energy: -226.934317 where: bonds (distance) C4'-P energy: -53.934 bonds (distance) P-C4' energy: -57.462 flat angles C4'-P-C4' energy: -51.864 flat angles P-C4'-P energy: -23.941 tors. eta vs tors. theta energy: -39.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -258.218620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.218620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.218620 (E_RNA) where: Base-Base interactions energy: -90.261 where: short stacking energy: -59.179 Base-Backbone interact. energy: 1.522 local terms energy: -169.479701 where: bonds (distance) C4'-P energy: -48.434 bonds (distance) P-C4' energy: -61.350 flat angles C4'-P-C4' energy: -54.706 flat angles P-C4'-P energy: -22.829 tors. eta vs tors. theta energy: 17.839 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: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1062.704363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.704363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.704363 (E_RNA) where: Base-Base interactions energy: -715.200 where: short stacking energy: -300.481 Base-Backbone interact. energy: -0.857 local terms energy: -346.646973 where: bonds (distance) C4'-P energy: -64.878 bonds (distance) P-C4' energy: -66.235 flat angles C4'-P-C4' energy: -73.877 flat angles P-C4'-P energy: -47.749 tors. eta vs tors. theta energy: -93.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -993.689878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.689878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.689878 (E_RNA) where: Base-Base interactions energy: -668.701 where: short stacking energy: -284.383 Base-Backbone interact. energy: -2.973 local terms energy: -322.016362 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -52.421 flat angles C4'-P-C4' energy: -74.708 flat angles P-C4'-P energy: -43.814 tors. eta vs tors. theta energy: -87.708 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: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -942.449902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.449902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.449902 (E_RNA) where: Base-Base interactions energy: -622.607 where: short stacking energy: -284.715 Base-Backbone interact. energy: 0.306 local terms energy: -320.148991 where: bonds (distance) C4'-P energy: -57.276 bonds (distance) P-C4' energy: -63.041 flat angles C4'-P-C4' energy: -66.575 flat angles P-C4'-P energy: -51.093 tors. eta vs tors. theta energy: -82.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -855.504652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.504652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.504652 (E_RNA) where: Base-Base interactions energy: -575.909 where: short stacking energy: -242.030 Base-Backbone interact. energy: -0.518 local terms energy: -279.077336 where: bonds (distance) C4'-P energy: -53.329 bonds (distance) P-C4' energy: -69.221 flat angles C4'-P-C4' energy: -53.562 flat angles P-C4'-P energy: -31.484 tors. eta vs tors. theta energy: -71.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -806.382288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.382288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.382288 (E_RNA) where: Base-Base interactions energy: -526.798 where: short stacking energy: -248.701 Base-Backbone interact. energy: -0.121 local terms energy: -279.463031 where: bonds (distance) C4'-P energy: -49.115 bonds (distance) P-C4' energy: -62.744 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -41.411 tors. eta vs tors. theta energy: -61.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -609.328280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.328280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.328280 (E_RNA) where: Base-Base interactions energy: -381.285 where: short stacking energy: -159.636 Base-Backbone interact. energy: -2.441 local terms energy: -225.603058 where: bonds (distance) C4'-P energy: -58.667 bonds (distance) P-C4' energy: -57.395 flat angles C4'-P-C4' energy: -59.119 flat angles P-C4'-P energy: -28.204 tors. eta vs tors. theta energy: -22.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -586.898835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.898835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.898835 (E_RNA) where: Base-Base interactions energy: -366.066 where: short stacking energy: -167.424 Base-Backbone interact. energy: 0.659 local terms energy: -221.491085 where: bonds (distance) C4'-P energy: -53.216 bonds (distance) P-C4' energy: -49.905 flat angles C4'-P-C4' energy: -53.508 flat angles P-C4'-P energy: -35.692 tors. eta vs tors. theta energy: -29.170 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: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -523.811617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.811617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.811617 (E_RNA) where: Base-Base interactions energy: -299.746 where: short stacking energy: -140.911 Base-Backbone interact. energy: -0.958 local terms energy: -223.107486 where: bonds (distance) C4'-P energy: -47.786 bonds (distance) P-C4' energy: -63.275 flat angles C4'-P-C4' energy: -58.499 flat angles P-C4'-P energy: -34.232 tors. eta vs tors. theta energy: -19.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -447.961858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.961858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.961858 (E_RNA) where: Base-Base interactions energy: -242.675 where: short stacking energy: -105.437 Base-Backbone interact. energy: 2.592 local terms energy: -207.878143 where: bonds (distance) C4'-P energy: -48.693 bonds (distance) P-C4' energy: -55.178 flat angles C4'-P-C4' energy: -52.678 flat angles P-C4'-P energy: -41.223 tors. eta vs tors. theta energy: -10.105 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: 3 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -252.484700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.484700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.484700 (E_RNA) where: Base-Base interactions energy: -87.035 where: short stacking energy: -72.687 Base-Backbone interact. energy: -1.090 local terms energy: -164.359524 where: bonds (distance) C4'-P energy: -36.465 bonds (distance) P-C4' energy: -63.334 flat angles C4'-P-C4' energy: -42.830 flat angles P-C4'-P energy: -34.078 tors. eta vs tors. theta energy: 12.347 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: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1045.867988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.867988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.867988 (E_RNA) where: Base-Base interactions energy: -712.713 where: short stacking energy: -308.661 Base-Backbone interact. energy: -0.382 local terms energy: -332.773191 where: bonds (distance) C4'-P energy: -60.081 bonds (distance) P-C4' energy: -58.645 flat angles C4'-P-C4' energy: -76.660 flat angles P-C4'-P energy: -37.458 tors. eta vs tors. theta energy: -99.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -978.449440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.449440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.449440 (E_RNA) where: Base-Base interactions energy: -672.285 where: short stacking energy: -284.157 Base-Backbone interact. energy: -0.340 local terms energy: -305.824653 where: bonds (distance) C4'-P energy: -67.111 bonds (distance) P-C4' energy: -54.965 flat angles C4'-P-C4' energy: -73.715 flat angles P-C4'-P energy: -36.255 tors. eta vs tors. theta energy: -73.778 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: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -917.895110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.895110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.895110 (E_RNA) where: Base-Base interactions energy: -610.845 where: short stacking energy: -270.114 Base-Backbone interact. energy: 0.737 local terms energy: -307.787349 where: bonds (distance) C4'-P energy: -64.479 bonds (distance) P-C4' energy: -59.009 flat angles C4'-P-C4' energy: -65.830 flat angles P-C4'-P energy: -39.668 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: 4, replica: 2 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -880.976891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.976891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.976891 (E_RNA) where: Base-Base interactions energy: -594.245 where: short stacking energy: -257.237 Base-Backbone interact. energy: 1.756 local terms energy: -288.487024 where: bonds (distance) C4'-P energy: -51.100 bonds (distance) P-C4' energy: -43.310 flat angles C4'-P-C4' energy: -69.273 flat angles P-C4'-P energy: -51.767 tors. eta vs tors. theta energy: -73.037 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: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -791.014762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.014762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.014762 (E_RNA) where: Base-Base interactions energy: -507.887 where: short stacking energy: -221.679 Base-Backbone interact. energy: -1.042 local terms energy: -282.086125 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -63.857 flat angles C4'-P-C4' energy: -62.557 flat angles P-C4'-P energy: -40.416 tors. eta vs tors. theta energy: -52.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -621.976902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.976902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.976902 (E_RNA) where: Base-Base interactions energy: -377.211 where: short stacking energy: -182.933 Base-Backbone interact. energy: -0.420 local terms energy: -244.345591 where: bonds (distance) C4'-P energy: -51.498 bonds (distance) P-C4' energy: -48.368 flat angles C4'-P-C4' energy: -62.539 flat angles P-C4'-P energy: -40.399 tors. eta vs tors. theta energy: -41.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -608.189447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.189447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.189447 (E_RNA) where: Base-Base interactions energy: -369.520 where: short stacking energy: -174.389 Base-Backbone interact. energy: -0.531 local terms energy: -238.138184 where: bonds (distance) C4'-P energy: -46.174 bonds (distance) P-C4' energy: -60.870 flat angles C4'-P-C4' energy: -47.796 flat angles P-C4'-P energy: -34.185 tors. eta vs tors. theta energy: -49.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -528.576747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.576747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.576747 (E_RNA) where: Base-Base interactions energy: -290.255 where: short stacking energy: -140.068 Base-Backbone interact. energy: -0.244 local terms energy: -238.077775 where: bonds (distance) C4'-P energy: -62.730 bonds (distance) P-C4' energy: -57.937 flat angles C4'-P-C4' energy: -47.949 flat angles P-C4'-P energy: -40.424 tors. eta vs tors. theta energy: -29.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -464.391216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.391216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.391216 (E_RNA) where: Base-Base interactions energy: -263.715 where: short stacking energy: -137.895 Base-Backbone interact. energy: -1.005 local terms energy: -199.672003 where: bonds (distance) C4'-P energy: -46.825 bonds (distance) P-C4' energy: -60.608 flat angles C4'-P-C4' energy: -49.942 flat angles P-C4'-P energy: -21.697 tors. eta vs tors. theta energy: -20.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -270.429848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.429848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.429848 (E_RNA) where: Base-Base interactions energy: -115.488 where: short stacking energy: -64.399 Base-Backbone interact. energy: 1.117 local terms energy: -156.059297 where: bonds (distance) C4'-P energy: -60.754 bonds (distance) P-C4' energy: -55.212 flat angles C4'-P-C4' energy: -37.068 flat angles P-C4'-P energy: -17.257 tors. eta vs tors. theta energy: 14.231 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: 1, replica: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1050.332114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.332114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.332114 (E_RNA) where: Base-Base interactions energy: -706.209 where: short stacking energy: -292.211 Base-Backbone interact. energy: -0.611 local terms energy: -343.512793 where: bonds (distance) C4'-P energy: -67.113 bonds (distance) P-C4' energy: -65.202 flat angles C4'-P-C4' energy: -71.360 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: -95.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -992.028742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.028742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.028742 (E_RNA) where: Base-Base interactions energy: -687.541 where: short stacking energy: -278.534 Base-Backbone interact. energy: 0.280 local terms energy: -304.766762 where: bonds (distance) C4'-P energy: -54.678 bonds (distance) P-C4' energy: -52.262 flat angles C4'-P-C4' energy: -75.433 flat angles P-C4'-P energy: -47.137 tors. eta vs tors. theta energy: -75.257 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: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -936.335031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.335031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.335031 (E_RNA) where: Base-Base interactions energy: -617.208 where: short stacking energy: -262.616 Base-Backbone interact. energy: -0.947 local terms energy: -318.180297 where: bonds (distance) C4'-P energy: -65.055 bonds (distance) P-C4' energy: -59.550 flat angles C4'-P-C4' energy: -64.057 flat angles P-C4'-P energy: -46.375 tors. eta vs tors. theta energy: -83.144 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: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -883.156404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.156404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.156404 (E_RNA) where: Base-Base interactions energy: -579.401 where: short stacking energy: -267.031 Base-Backbone interact. energy: -2.220 local terms energy: -301.535652 where: bonds (distance) C4'-P energy: -57.389 bonds (distance) P-C4' energy: -55.578 flat angles C4'-P-C4' energy: -68.675 flat angles P-C4'-P energy: -37.933 tors. eta vs tors. theta energy: -81.960 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: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -798.950756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.950756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.950756 (E_RNA) where: Base-Base interactions energy: -512.994 where: short stacking energy: -241.543 Base-Backbone interact. energy: -1.813 local terms energy: -284.143943 where: bonds (distance) C4'-P energy: -57.488 bonds (distance) P-C4' energy: -59.078 flat angles C4'-P-C4' energy: -61.623 flat angles P-C4'-P energy: -38.855 tors. eta vs tors. theta energy: -67.099 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: 4 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -641.694450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.694450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.694450 (E_RNA) where: Base-Base interactions energy: -384.167 where: short stacking energy: -162.744 Base-Backbone interact. energy: -0.907 local terms energy: -256.620554 where: bonds (distance) C4'-P energy: -54.402 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -43.104 tors. eta vs tors. theta energy: -36.077 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: 7 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -581.485603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.485603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.485603 (E_RNA) where: Base-Base interactions energy: -365.305 where: short stacking energy: -174.821 Base-Backbone interact. energy: 0.048 local terms energy: -216.229219 where: bonds (distance) C4'-P energy: -52.793 bonds (distance) P-C4' energy: -46.274 flat angles C4'-P-C4' energy: -51.079 flat angles P-C4'-P energy: -30.964 tors. eta vs tors. theta energy: -35.119 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: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -491.497696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.497696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.497696 (E_RNA) where: Base-Base interactions energy: -268.543 where: short stacking energy: -136.188 Base-Backbone interact. energy: -0.312 local terms energy: -222.642581 where: bonds (distance) C4'-P energy: -46.424 bonds (distance) P-C4' energy: -60.742 flat angles C4'-P-C4' energy: -59.844 flat angles P-C4'-P energy: -34.524 tors. eta vs tors. theta energy: -21.109 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: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -497.367047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.367047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.367047 (E_RNA) where: Base-Base interactions energy: -265.683 where: short stacking energy: -149.746 Base-Backbone interact. energy: 0.821 local terms energy: -232.505169 where: bonds (distance) C4'-P energy: -61.840 bonds (distance) P-C4' energy: -57.856 flat angles C4'-P-C4' energy: -59.243 flat angles P-C4'-P energy: -31.108 tors. eta vs tors. theta energy: -22.458 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: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -238.842946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.842946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.842946 (E_RNA) where: Base-Base interactions energy: -85.583 where: short stacking energy: -53.390 Base-Backbone interact. energy: 3.531 local terms energy: -156.791530 where: bonds (distance) C4'-P energy: -42.235 bonds (distance) P-C4' energy: -50.022 flat angles C4'-P-C4' energy: -45.655 flat angles P-C4'-P energy: -33.699 tors. eta vs tors. theta energy: 14.819 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: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1051.290705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.290705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.290705 (E_RNA) where: Base-Base interactions energy: -687.966 where: short stacking energy: -295.829 Base-Backbone interact. energy: -1.732 local terms energy: -361.592369 where: bonds (distance) C4'-P energy: -63.694 bonds (distance) P-C4' energy: -72.321 flat angles C4'-P-C4' energy: -74.346 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: -95.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -988.155381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.155381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.155381 (E_RNA) where: Base-Base interactions energy: -685.448 where: short stacking energy: -282.713 Base-Backbone interact. energy: -1.418 local terms energy: -301.289394 where: bonds (distance) C4'-P energy: -60.330 bonds (distance) P-C4' energy: -56.994 flat angles C4'-P-C4' energy: -64.544 flat angles P-C4'-P energy: -38.417 tors. eta vs tors. theta energy: -81.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -964.634067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.634067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.634067 (E_RNA) where: Base-Base interactions energy: -629.416 where: short stacking energy: -283.665 Base-Backbone interact. energy: -0.455 local terms energy: -334.762828 where: bonds (distance) C4'-P energy: -68.281 bonds (distance) P-C4' energy: -64.894 flat angles C4'-P-C4' energy: -73.740 flat angles P-C4'-P energy: -44.078 tors. eta vs tors. theta energy: -83.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -876.491959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.491959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.491959 (E_RNA) where: Base-Base interactions energy: -572.992 where: short stacking energy: -257.808 Base-Backbone interact. energy: -0.408 local terms energy: -303.091411 where: bonds (distance) C4'-P energy: -46.722 bonds (distance) P-C4' energy: -58.783 flat angles C4'-P-C4' energy: -72.219 flat angles P-C4'-P energy: -51.540 tors. eta vs tors. theta energy: -73.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -760.794721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.794721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.794721 (E_RNA) where: Base-Base interactions energy: -502.859 where: short stacking energy: -236.329 Base-Backbone interact. energy: 1.053 local terms energy: -258.988873 where: bonds (distance) C4'-P energy: -48.131 bonds (distance) P-C4' energy: -62.316 flat angles C4'-P-C4' energy: -57.127 flat angles P-C4'-P energy: -36.307 tors. eta vs tors. theta energy: -55.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -631.407444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.407444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.407444 (E_RNA) where: Base-Base interactions energy: -372.457 where: short stacking energy: -207.039 Base-Backbone interact. energy: 0.653 local terms energy: -259.603760 where: bonds (distance) C4'-P energy: -50.206 bonds (distance) P-C4' energy: -52.378 flat angles C4'-P-C4' energy: -59.280 flat angles P-C4'-P energy: -40.668 tors. eta vs tors. theta energy: -57.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -614.267388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.267388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.267388 (E_RNA) where: Base-Base interactions energy: -370.342 where: short stacking energy: -170.516 Base-Backbone interact. energy: -0.122 local terms energy: -243.803268 where: bonds (distance) C4'-P energy: -39.563 bonds (distance) P-C4' energy: -61.658 flat angles C4'-P-C4' energy: -63.093 flat angles P-C4'-P energy: -39.920 tors. eta vs tors. theta energy: -39.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -499.394821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.394821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.394821 (E_RNA) where: Base-Base interactions energy: -271.581 where: short stacking energy: -151.013 Base-Backbone interact. energy: -0.339 local terms energy: -227.475353 where: bonds (distance) C4'-P energy: -42.222 bonds (distance) P-C4' energy: -56.466 flat angles C4'-P-C4' energy: -65.497 flat angles P-C4'-P energy: -37.300 tors. eta vs tors. theta energy: -25.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -487.304145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.304145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.304145 (E_RNA) where: Base-Base interactions energy: -265.099 where: short stacking energy: -126.737 Base-Backbone interact. energy: -0.500 local terms energy: -221.705145 where: bonds (distance) C4'-P energy: -54.962 bonds (distance) P-C4' energy: -60.193 flat angles C4'-P-C4' energy: -55.691 flat angles P-C4'-P energy: -23.480 tors. eta vs tors. theta energy: -27.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -279.966395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.966395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.966395 (E_RNA) where: Base-Base interactions energy: -102.303 where: short stacking energy: -82.019 Base-Backbone interact. energy: -0.982 local terms energy: -176.681112 where: bonds (distance) C4'-P energy: -42.266 bonds (distance) P-C4' energy: -58.016 flat angles C4'-P-C4' energy: -57.250 flat angles P-C4'-P energy: -30.886 tors. eta vs tors. theta energy: 11.737 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: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1040.831865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.831865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.831865 (E_RNA) where: Base-Base interactions energy: -692.490 where: short stacking energy: -285.162 Base-Backbone interact. energy: -1.779 local terms energy: -346.562373 where: bonds (distance) C4'-P energy: -61.306 bonds (distance) P-C4' energy: -70.201 flat angles C4'-P-C4' energy: -75.570 flat angles P-C4'-P energy: -43.671 tors. eta vs tors. theta energy: -95.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -992.115519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.115519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.115519 (E_RNA) where: Base-Base interactions energy: -676.217 where: short stacking energy: -267.867 Base-Backbone interact. energy: -2.578 local terms energy: -313.320684 where: bonds (distance) C4'-P energy: -61.435 bonds (distance) P-C4' energy: -57.493 flat angles C4'-P-C4' energy: -74.617 flat angles P-C4'-P energy: -45.095 tors. eta vs tors. theta energy: -74.682 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: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -954.927229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.927229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.927229 (E_RNA) where: Base-Base interactions energy: -644.536 where: short stacking energy: -262.404 Base-Backbone interact. energy: -2.030 local terms energy: -308.360704 where: bonds (distance) C4'-P energy: -63.712 bonds (distance) P-C4' energy: -54.579 flat angles C4'-P-C4' energy: -72.106 flat angles P-C4'-P energy: -37.018 tors. eta vs tors. theta energy: -80.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -885.114621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.114621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.114621 (E_RNA) where: Base-Base interactions energy: -591.162 where: short stacking energy: -246.935 Base-Backbone interact. energy: -0.396 local terms energy: -293.556388 where: bonds (distance) C4'-P energy: -39.586 bonds (distance) P-C4' energy: -66.328 flat angles C4'-P-C4' energy: -66.101 flat angles P-C4'-P energy: -49.159 tors. eta vs tors. theta energy: -72.382 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: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -759.099527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.099527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.099527 (E_RNA) where: Base-Base interactions energy: -471.198 where: short stacking energy: -209.987 Base-Backbone interact. energy: -1.602 local terms energy: -286.299601 where: bonds (distance) C4'-P energy: -57.142 bonds (distance) P-C4' energy: -66.394 flat angles C4'-P-C4' energy: -62.153 flat angles P-C4'-P energy: -47.209 tors. eta vs tors. theta energy: -53.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -645.366406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.366406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.366406 (E_RNA) where: Base-Base interactions energy: -402.366 where: short stacking energy: -189.895 Base-Backbone interact. energy: 0.115 local terms energy: -243.115874 where: bonds (distance) C4'-P energy: -62.461 bonds (distance) P-C4' energy: -58.178 flat angles C4'-P-C4' energy: -51.510 flat angles P-C4'-P energy: -28.913 tors. eta vs tors. theta energy: -42.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -586.367714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.367714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.367714 (E_RNA) where: Base-Base interactions energy: -339.474 where: short stacking energy: -169.330 Base-Backbone interact. energy: -2.846 local terms energy: -244.048060 where: bonds (distance) C4'-P energy: -64.156 bonds (distance) P-C4' energy: -48.686 flat angles C4'-P-C4' energy: -60.674 flat angles P-C4'-P energy: -38.286 tors. eta vs tors. theta energy: -32.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -500.299617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.299617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.299617 (E_RNA) where: Base-Base interactions energy: -276.369 where: short stacking energy: -162.167 Base-Backbone interact. energy: -0.766 local terms energy: -223.164421 where: bonds (distance) C4'-P energy: -53.296 bonds (distance) P-C4' energy: -50.588 flat angles C4'-P-C4' energy: -52.720 flat angles P-C4'-P energy: -34.616 tors. eta vs tors. theta energy: -31.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -469.022916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.022916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.022916 (E_RNA) where: Base-Base interactions energy: -260.954 where: short stacking energy: -143.958 Base-Backbone interact. energy: -0.150 local terms energy: -207.918944 where: bonds (distance) C4'-P energy: -46.138 bonds (distance) P-C4' energy: -52.428 flat angles C4'-P-C4' energy: -51.653 flat angles P-C4'-P energy: -29.794 tors. eta vs tors. theta energy: -27.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -258.048619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.048619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.048619 (E_RNA) where: Base-Base interactions energy: -78.093 where: short stacking energy: -59.729 Base-Backbone interact. energy: 1.094 local terms energy: -181.049723 where: bonds (distance) C4'-P energy: -47.905 bonds (distance) P-C4' energy: -64.170 flat angles C4'-P-C4' energy: -49.805 flat angles P-C4'-P energy: -33.752 tors. eta vs tors. theta energy: 14.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1042.236893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.236893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.236893 (E_RNA) where: Base-Base interactions energy: -710.237 where: short stacking energy: -296.179 Base-Backbone interact. energy: -2.085 local terms energy: -329.915149 where: bonds (distance) C4'-P energy: -62.854 bonds (distance) P-C4' energy: -63.910 flat angles C4'-P-C4' energy: -67.131 flat angles P-C4'-P energy: -37.821 tors. eta vs tors. theta energy: -98.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -997.636439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.636439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.636439 (E_RNA) where: Base-Base interactions energy: -678.545 where: short stacking energy: -272.657 Base-Backbone interact. energy: -1.730 local terms energy: -317.360747 where: bonds (distance) C4'-P energy: -61.776 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -73.745 flat angles P-C4'-P energy: -32.802 tors. eta vs tors. theta energy: -83.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -950.373766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.373766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.373766 (E_RNA) where: Base-Base interactions energy: -644.225 where: short stacking energy: -266.679 Base-Backbone interact. energy: 1.221 local terms energy: -307.369876 where: bonds (distance) C4'-P energy: -59.032 bonds (distance) P-C4' energy: -56.156 flat angles C4'-P-C4' energy: -52.753 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -92.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -872.873314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.873314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.873314 (E_RNA) where: Base-Base interactions energy: -588.769 where: short stacking energy: -268.631 Base-Backbone interact. energy: -1.344 local terms energy: -282.759877 where: bonds (distance) C4'-P energy: -52.167 bonds (distance) P-C4' energy: -56.421 flat angles C4'-P-C4' energy: -57.254 flat angles P-C4'-P energy: -38.323 tors. eta vs tors. theta energy: -78.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -780.050369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.050369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.050369 (E_RNA) where: Base-Base interactions energy: -509.692 where: short stacking energy: -220.411 Base-Backbone interact. energy: -1.063 local terms energy: -269.295714 where: bonds (distance) C4'-P energy: -63.776 bonds (distance) P-C4' energy: -53.772 flat angles C4'-P-C4' energy: -56.173 flat angles P-C4'-P energy: -42.657 tors. eta vs tors. theta energy: -52.917 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: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -692.068565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.068565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.068565 (E_RNA) where: Base-Base interactions energy: -429.102 where: short stacking energy: -207.139 Base-Backbone interact. energy: -1.168 local terms energy: -261.798160 where: bonds (distance) C4'-P energy: -48.011 bonds (distance) P-C4' energy: -58.498 flat angles C4'-P-C4' energy: -63.459 flat angles P-C4'-P energy: -31.906 tors. eta vs tors. theta energy: -59.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -554.220217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.220217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.220217 (E_RNA) where: Base-Base interactions energy: -334.540 where: short stacking energy: -147.974 Base-Backbone interact. energy: 2.863 local terms energy: -222.543109 where: bonds (distance) C4'-P energy: -51.837 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -44.283 flat angles P-C4'-P energy: -38.590 tors. eta vs tors. theta energy: -21.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -457.499174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.499174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.499174 (E_RNA) where: Base-Base interactions energy: -253.704 where: short stacking energy: -127.400 Base-Backbone interact. energy: -0.232 local terms energy: -203.563688 where: bonds (distance) C4'-P energy: -59.217 bonds (distance) P-C4' energy: -49.480 flat angles C4'-P-C4' energy: -54.134 flat angles P-C4'-P energy: -24.962 tors. eta vs tors. theta energy: -15.771 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: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -468.061518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.061518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.061518 (E_RNA) where: Base-Base interactions energy: -246.442 where: short stacking energy: -126.425 Base-Backbone interact. energy: -1.582 local terms energy: -220.037711 where: bonds (distance) C4'-P energy: -48.735 bonds (distance) P-C4' energy: -55.642 flat angles C4'-P-C4' energy: -44.825 flat angles P-C4'-P energy: -36.995 tors. eta vs tors. theta energy: -33.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -266.330209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.330209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.330209 (E_RNA) where: Base-Base interactions energy: -111.369 where: short stacking energy: -64.562 Base-Backbone interact. energy: 1.238 local terms energy: -156.198825 where: bonds (distance) C4'-P energy: -44.968 bonds (distance) P-C4' energy: -61.810 flat angles C4'-P-C4' energy: -46.697 flat angles P-C4'-P energy: -21.210 tors. eta vs tors. theta energy: 18.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1050.520178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.520178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.520178 (E_RNA) where: Base-Base interactions energy: -701.322 where: short stacking energy: -282.053 Base-Backbone interact. energy: -2.041 local terms energy: -347.156684 where: bonds (distance) C4'-P energy: -59.202 bonds (distance) P-C4' energy: -56.490 flat angles C4'-P-C4' energy: -76.476 flat angles P-C4'-P energy: -60.326 tors. eta vs tors. theta energy: -94.662 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: 190 Temperature: 0.950000 Total energy: -1020.840008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.840008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.840008 (E_RNA) where: Base-Base interactions energy: -705.619 where: short stacking energy: -290.415 Base-Backbone interact. energy: -1.858 local terms energy: -313.362971 where: bonds (distance) C4'-P energy: -54.733 bonds (distance) P-C4' energy: -53.608 flat angles C4'-P-C4' energy: -72.027 flat angles P-C4'-P energy: -43.481 tors. eta vs tors. theta energy: -89.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -950.466940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.466940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.466940 (E_RNA) where: Base-Base interactions energy: -624.356 where: short stacking energy: -272.590 Base-Backbone interact. energy: -2.708 local terms energy: -323.402775 where: bonds (distance) C4'-P energy: -50.118 bonds (distance) P-C4' energy: -72.208 flat angles C4'-P-C4' energy: -70.609 flat angles P-C4'-P energy: -43.978 tors. eta vs tors. theta energy: -86.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -856.179622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.179622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.179622 (E_RNA) where: Base-Base interactions energy: -564.853 where: short stacking energy: -244.601 Base-Backbone interact. energy: -1.409 local terms energy: -289.917353 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -54.817 flat angles C4'-P-C4' energy: -65.709 flat angles P-C4'-P energy: -44.800 tors. eta vs tors. theta energy: -67.219 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: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -778.516024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.516024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.516024 (E_RNA) where: Base-Base interactions energy: -508.918 where: short stacking energy: -235.023 Base-Backbone interact. energy: 1.861 local terms energy: -271.458617 where: bonds (distance) C4'-P energy: -57.944 bonds (distance) P-C4' energy: -58.869 flat angles C4'-P-C4' energy: -58.080 flat angles P-C4'-P energy: -33.762 tors. eta vs tors. theta energy: -62.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -653.365148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.365148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.365148 (E_RNA) where: Base-Base interactions energy: -409.741 where: short stacking energy: -183.116 Base-Backbone interact. energy: 0.570 local terms energy: -244.194552 where: bonds (distance) C4'-P energy: -44.534 bonds (distance) P-C4' energy: -57.800 flat angles C4'-P-C4' energy: -58.197 flat angles P-C4'-P energy: -37.459 tors. eta vs tors. theta energy: -46.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -607.816173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.816173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.816173 (E_RNA) where: Base-Base interactions energy: -373.353 where: short stacking energy: -171.985 Base-Backbone interact. energy: 3.515 local terms energy: -237.977511 where: bonds (distance) C4'-P energy: -49.659 bonds (distance) P-C4' energy: -49.665 flat angles C4'-P-C4' energy: -61.252 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: -38.586 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: 8, replica: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -524.003456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.003456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.003456 (E_RNA) where: Base-Base interactions energy: -282.733 where: short stacking energy: -144.633 Base-Backbone interact. energy: -0.270 local terms energy: -240.999579 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -63.936 flat angles C4'-P-C4' energy: -46.843 flat angles P-C4'-P energy: -39.148 tors. eta vs tors. theta energy: -28.308 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: 9, replica: 6 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -463.542041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.542041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.542041 (E_RNA) where: Base-Base interactions energy: -246.901 where: short stacking energy: -127.086 Base-Backbone interact. energy: -1.362 local terms energy: -215.279590 where: bonds (distance) C4'-P energy: -58.359 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -52.229 flat angles P-C4'-P energy: -34.561 tors. eta vs tors. theta energy: -13.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -258.538735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.538735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.538735 (E_RNA) where: Base-Base interactions energy: -87.661 where: short stacking energy: -55.740 Base-Backbone interact. energy: -0.966 local terms energy: -169.911379 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -53.809 flat angles C4'-P-C4' energy: -41.400 flat angles P-C4'-P energy: -26.305 tors. eta vs tors. theta energy: 6.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1042.608292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.608292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.608292 (E_RNA) where: Base-Base interactions energy: -703.674 where: short stacking energy: -291.983 Base-Backbone interact. energy: -1.933 local terms energy: -337.002222 where: bonds (distance) C4'-P energy: -58.488 bonds (distance) P-C4' energy: -68.971 flat angles C4'-P-C4' energy: -65.738 flat angles P-C4'-P energy: -50.838 tors. eta vs tors. theta energy: -92.967 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: 8 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -989.530294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.530294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.530294 (E_RNA) where: Base-Base interactions energy: -670.011 where: short stacking energy: -276.436 Base-Backbone interact. energy: -4.894 local terms energy: -314.626022 where: bonds (distance) C4'-P energy: -54.513 bonds (distance) P-C4' energy: -62.307 flat angles C4'-P-C4' energy: -71.040 flat angles P-C4'-P energy: -43.248 tors. eta vs tors. theta energy: -83.519 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: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -943.526800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.526800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.526800 (E_RNA) where: Base-Base interactions energy: -625.503 where: short stacking energy: -277.681 Base-Backbone interact. energy: 1.397 local terms energy: -319.420689 where: bonds (distance) C4'-P energy: -60.907 bonds (distance) P-C4' energy: -64.125 flat angles C4'-P-C4' energy: -65.403 flat angles P-C4'-P energy: -43.779 tors. eta vs tors. theta energy: -85.206 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: 191 Temperature: 1.050000 Total energy: -846.225749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.225749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.225749 (E_RNA) where: Base-Base interactions energy: -549.704 where: short stacking energy: -230.958 Base-Backbone interact. energy: -0.731 local terms energy: -295.790403 where: bonds (distance) C4'-P energy: -52.883 bonds (distance) P-C4' energy: -64.908 flat angles C4'-P-C4' energy: -64.881 flat angles P-C4'-P energy: -43.040 tors. eta vs tors. theta energy: -70.078 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: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -811.244393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.244393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.244393 (E_RNA) where: Base-Base interactions energy: -531.529 where: short stacking energy: -244.524 Base-Backbone interact. energy: 0.013 local terms energy: -279.727768 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -56.879 flat angles C4'-P-C4' energy: -54.528 flat angles P-C4'-P energy: -41.335 tors. eta vs tors. theta energy: -70.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -686.427418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.427418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.427418 (E_RNA) where: Base-Base interactions energy: -410.817 where: short stacking energy: -182.860 Base-Backbone interact. energy: -1.723 local terms energy: -273.887919 where: bonds (distance) C4'-P energy: -56.377 bonds (distance) P-C4' energy: -61.865 flat angles C4'-P-C4' energy: -54.069 flat angles P-C4'-P energy: -45.941 tors. eta vs tors. theta energy: -55.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -555.327307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.327307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.327307 (E_RNA) where: Base-Base interactions energy: -317.992 where: short stacking energy: -153.741 Base-Backbone interact. energy: 3.705 local terms energy: -241.040935 where: bonds (distance) C4'-P energy: -45.364 bonds (distance) P-C4' energy: -56.529 flat angles C4'-P-C4' energy: -61.361 flat angles P-C4'-P energy: -40.082 tors. eta vs tors. theta energy: -37.706 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: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -502.309080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.309080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.309080 (E_RNA) where: Base-Base interactions energy: -294.833 where: short stacking energy: -144.866 Base-Backbone interact. energy: -0.536 local terms energy: -206.940536 where: bonds (distance) C4'-P energy: -54.970 bonds (distance) P-C4' energy: -51.838 flat angles C4'-P-C4' energy: -51.026 flat angles P-C4'-P energy: -23.161 tors. eta vs tors. theta energy: -25.946 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: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -484.002666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.002666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.002666 (E_RNA) where: Base-Base interactions energy: -288.789 where: short stacking energy: -138.366 Base-Backbone interact. energy: -1.785 local terms energy: -193.429140 where: bonds (distance) C4'-P energy: -44.906 bonds (distance) P-C4' energy: -56.066 flat angles C4'-P-C4' energy: -50.701 flat angles P-C4'-P energy: -27.760 tors. eta vs tors. theta energy: -13.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -253.834505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.834505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.834505 (E_RNA) where: Base-Base interactions energy: -85.145 where: short stacking energy: -66.125 Base-Backbone interact. energy: -3.435 local terms energy: -165.255114 where: bonds (distance) C4'-P energy: -56.154 bonds (distance) P-C4' energy: -64.135 flat angles C4'-P-C4' energy: -47.175 flat angles P-C4'-P energy: -15.418 tors. eta vs tors. theta energy: 17.627 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: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1062.882516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.882516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.882516 (E_RNA) where: Base-Base interactions energy: -726.770 where: short stacking energy: -305.620 Base-Backbone interact. energy: -3.142 local terms energy: -332.970376 where: bonds (distance) C4'-P energy: -61.375 bonds (distance) P-C4' energy: -63.014 flat angles C4'-P-C4' energy: -65.055 flat angles P-C4'-P energy: -47.009 tors. eta vs tors. theta energy: -96.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -983.852335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.852335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.852335 (E_RNA) where: Base-Base interactions energy: -657.839 where: short stacking energy: -285.299 Base-Backbone interact. energy: 0.195 local terms energy: -326.209123 where: bonds (distance) C4'-P energy: -62.715 bonds (distance) P-C4' energy: -59.336 flat angles C4'-P-C4' energy: -70.018 flat angles P-C4'-P energy: -47.078 tors. eta vs tors. theta energy: -87.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -957.550791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.550791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.550791 (E_RNA) where: Base-Base interactions energy: -642.524 where: short stacking energy: -275.359 Base-Backbone interact. energy: 0.692 local terms energy: -315.718920 where: bonds (distance) C4'-P energy: -53.059 bonds (distance) P-C4' energy: -69.662 flat angles C4'-P-C4' energy: -67.500 flat angles P-C4'-P energy: -38.609 tors. eta vs tors. theta energy: -86.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -840.834754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.834754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.834754 (E_RNA) where: Base-Base interactions energy: -574.947 where: short stacking energy: -245.446 Base-Backbone interact. energy: -0.198 local terms energy: -265.689596 where: bonds (distance) C4'-P energy: -49.157 bonds (distance) P-C4' energy: -54.854 flat angles C4'-P-C4' energy: -61.019 flat angles P-C4'-P energy: -39.856 tors. eta vs tors. theta energy: -60.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -815.674037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.674037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.674037 (E_RNA) where: Base-Base interactions energy: -521.082 where: short stacking energy: -223.155 Base-Backbone interact. energy: -0.724 local terms energy: -293.868468 where: bonds (distance) C4'-P energy: -61.674 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -53.027 flat angles P-C4'-P energy: -48.201 tors. eta vs tors. theta energy: -61.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -644.283310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.283310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.283310 (E_RNA) where: Base-Base interactions energy: -390.410 where: short stacking energy: -175.659 Base-Backbone interact. energy: 0.646 local terms energy: -254.519640 where: bonds (distance) C4'-P energy: -65.103 bonds (distance) P-C4' energy: -52.443 flat angles C4'-P-C4' energy: -65.747 flat angles P-C4'-P energy: -36.727 tors. eta vs tors. theta energy: -34.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -526.059186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.059186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.059186 (E_RNA) where: Base-Base interactions energy: -305.112 where: short stacking energy: -161.453 Base-Backbone interact. energy: 0.423 local terms energy: -221.370584 where: bonds (distance) C4'-P energy: -60.618 bonds (distance) P-C4' energy: -52.988 flat angles C4'-P-C4' energy: -51.235 flat angles P-C4'-P energy: -32.108 tors. eta vs tors. theta energy: -24.422 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: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -505.993238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.993238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.993238 (E_RNA) where: Base-Base interactions energy: -311.536 where: short stacking energy: -145.418 Base-Backbone interact. energy: -1.435 local terms energy: -193.021873 where: bonds (distance) C4'-P energy: -46.607 bonds (distance) P-C4' energy: -55.146 flat angles C4'-P-C4' energy: -47.471 flat angles P-C4'-P energy: -23.680 tors. eta vs tors. theta energy: -20.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -453.873168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.873168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.873168 (E_RNA) where: Base-Base interactions energy: -243.203 where: short stacking energy: -133.616 Base-Backbone interact. energy: -1.426 local terms energy: -209.244149 where: bonds (distance) C4'-P energy: -47.533 bonds (distance) P-C4' energy: -62.544 flat angles C4'-P-C4' energy: -55.471 flat angles P-C4'-P energy: -30.186 tors. eta vs tors. theta energy: -13.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -237.785468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.785468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.785468 (E_RNA) where: Base-Base interactions energy: -63.450 where: short stacking energy: -50.829 Base-Backbone interact. energy: -0.877 local terms energy: -173.458314 where: bonds (distance) C4'-P energy: -60.979 bonds (distance) P-C4' energy: -52.010 flat angles C4'-P-C4' energy: -49.001 flat angles P-C4'-P energy: -30.740 tors. eta vs tors. theta energy: 19.272 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: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1058.445343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.445343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.445343 (E_RNA) where: Base-Base interactions energy: -725.709 where: short stacking energy: -297.328 Base-Backbone interact. energy: -1.529 local terms energy: -331.207798 where: bonds (distance) C4'-P energy: -59.905 bonds (distance) P-C4' energy: -65.337 flat angles C4'-P-C4' energy: -68.083 flat angles P-C4'-P energy: -48.045 tors. eta vs tors. theta energy: -89.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -957.967607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.967607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.967607 (E_RNA) where: Base-Base interactions energy: -663.915 where: short stacking energy: -283.364 Base-Backbone interact. energy: 1.764 local terms energy: -295.816723 where: bonds (distance) C4'-P energy: -50.686 bonds (distance) P-C4' energy: -53.703 flat angles C4'-P-C4' energy: -61.745 flat angles P-C4'-P energy: -48.270 tors. eta vs tors. theta energy: -81.412 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: 193 Temperature: 1.000000 Total energy: -965.412203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.412203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.412203 (E_RNA) where: Base-Base interactions energy: -661.510 where: short stacking energy: -260.521 Base-Backbone interact. energy: -2.045 local terms energy: -301.857696 where: bonds (distance) C4'-P energy: -53.706 bonds (distance) P-C4' energy: -63.318 flat angles C4'-P-C4' energy: -63.515 flat angles P-C4'-P energy: -43.490 tors. eta vs tors. theta energy: -77.829 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: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -876.746583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.746583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.746583 (E_RNA) where: Base-Base interactions energy: -596.368 where: short stacking energy: -253.835 Base-Backbone interact. energy: 1.380 local terms energy: -281.758812 where: bonds (distance) C4'-P energy: -55.072 bonds (distance) P-C4' energy: -50.616 flat angles C4'-P-C4' energy: -68.191 flat angles P-C4'-P energy: -39.217 tors. eta vs tors. theta energy: -68.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -767.411979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.411979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.411979 (E_RNA) where: Base-Base interactions energy: -504.400 where: short stacking energy: -230.568 Base-Backbone interact. energy: -0.922 local terms energy: -262.090135 where: bonds (distance) C4'-P energy: -55.331 bonds (distance) P-C4' energy: -55.770 flat angles C4'-P-C4' energy: -63.042 flat angles P-C4'-P energy: -37.407 tors. eta vs tors. theta energy: -50.540 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: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -721.150264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.150264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.150264 (E_RNA) where: Base-Base interactions energy: -452.530 where: short stacking energy: -210.532 Base-Backbone interact. energy: -2.091 local terms energy: -266.529105 where: bonds (distance) C4'-P energy: -46.680 bonds (distance) P-C4' energy: -58.531 flat angles C4'-P-C4' energy: -67.625 flat angles P-C4'-P energy: -34.973 tors. eta vs tors. theta energy: -58.721 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: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -525.035339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.035339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.035339 (E_RNA) where: Base-Base interactions energy: -285.549 where: short stacking energy: -133.328 Base-Backbone interact. energy: -0.290 local terms energy: -239.196690 where: bonds (distance) C4'-P energy: -51.842 bonds (distance) P-C4' energy: -65.126 flat angles C4'-P-C4' energy: -60.689 flat angles P-C4'-P energy: -32.653 tors. eta vs tors. theta energy: -28.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -487.666958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.666958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.666958 (E_RNA) where: Base-Base interactions energy: -263.763 where: short stacking energy: -142.167 Base-Backbone interact. energy: 5.254 local terms energy: -229.157780 where: bonds (distance) C4'-P energy: -53.749 bonds (distance) P-C4' energy: -62.854 flat angles C4'-P-C4' energy: -58.256 flat angles P-C4'-P energy: -30.120 tors. eta vs tors. theta energy: -24.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -425.867399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.867399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.867399 (E_RNA) where: Base-Base interactions energy: -238.342 where: short stacking energy: -112.945 Base-Backbone interact. energy: 0.843 local terms energy: -188.368038 where: bonds (distance) C4'-P energy: -53.596 bonds (distance) P-C4' energy: -49.531 flat angles C4'-P-C4' energy: -51.005 flat angles P-C4'-P energy: -23.110 tors. eta vs tors. theta energy: -11.126 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: 3 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -257.745305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.745305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.745305 (E_RNA) where: Base-Base interactions energy: -91.476 where: short stacking energy: -67.469 Base-Backbone interact. energy: -1.936 local terms energy: -164.333778 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -49.590 flat angles C4'-P-C4' energy: -46.382 flat angles P-C4'-P energy: -20.272 tors. eta vs tors. theta energy: 10.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1069.816398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.816398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.816398 (E_RNA) where: Base-Base interactions energy: -734.107 where: short stacking energy: -296.882 Base-Backbone interact. energy: -2.939 local terms energy: -332.770419 where: bonds (distance) C4'-P energy: -58.937 bonds (distance) P-C4' energy: -62.088 flat angles C4'-P-C4' energy: -64.999 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -90.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -980.775076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.775076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.775076 (E_RNA) where: Base-Base interactions energy: -648.935 where: short stacking energy: -288.581 Base-Backbone interact. energy: -2.741 local terms energy: -329.099077 where: bonds (distance) C4'-P energy: -59.557 bonds (distance) P-C4' energy: -65.999 flat angles C4'-P-C4' energy: -68.887 flat angles P-C4'-P energy: -48.586 tors. eta vs tors. theta energy: -86.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -942.500470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.500470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.500470 (E_RNA) where: Base-Base interactions energy: -630.352 where: short stacking energy: -264.439 Base-Backbone interact. energy: -1.111 local terms energy: -311.036819 where: bonds (distance) C4'-P energy: -60.936 bonds (distance) P-C4' energy: -55.150 flat angles C4'-P-C4' energy: -72.723 flat angles P-C4'-P energy: -44.417 tors. eta vs tors. theta energy: -77.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -848.894343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.894343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.894343 (E_RNA) where: Base-Base interactions energy: -570.317 where: short stacking energy: -240.995 Base-Backbone interact. energy: 1.291 local terms energy: -279.868407 where: bonds (distance) C4'-P energy: -52.192 bonds (distance) P-C4' energy: -62.096 flat angles C4'-P-C4' energy: -61.458 flat angles P-C4'-P energy: -37.991 tors. eta vs tors. theta energy: -66.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -770.342469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.342469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.342469 (E_RNA) where: Base-Base interactions energy: -504.559 where: short stacking energy: -238.615 Base-Backbone interact. energy: -0.643 local terms energy: -265.139917 where: bonds (distance) C4'-P energy: -55.244 bonds (distance) P-C4' energy: -69.049 flat angles C4'-P-C4' energy: -54.291 flat angles P-C4'-P energy: -25.462 tors. eta vs tors. theta energy: -61.094 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: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -725.898363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.898363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.898363 (E_RNA) where: Base-Base interactions energy: -468.132 where: short stacking energy: -236.451 Base-Backbone interact. energy: -2.322 local terms energy: -255.444447 where: bonds (distance) C4'-P energy: -45.944 bonds (distance) P-C4' energy: -54.203 flat angles C4'-P-C4' energy: -58.758 flat angles P-C4'-P energy: -38.305 tors. eta vs tors. theta energy: -58.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -516.516882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.516882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.516882 (E_RNA) where: Base-Base interactions energy: -293.074 where: short stacking energy: -159.494 Base-Backbone interact. energy: -1.226 local terms energy: -222.217023 where: bonds (distance) C4'-P energy: -49.885 bonds (distance) P-C4' energy: -61.645 flat angles C4'-P-C4' energy: -53.546 flat angles P-C4'-P energy: -35.251 tors. eta vs tors. theta energy: -21.891 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: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -501.183903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.183903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.183903 (E_RNA) where: Base-Base interactions energy: -274.593 where: short stacking energy: -122.453 Base-Backbone interact. energy: 0.586 local terms energy: -227.176961 where: bonds (distance) C4'-P energy: -54.257 bonds (distance) P-C4' energy: -63.453 flat angles C4'-P-C4' energy: -58.758 flat angles P-C4'-P energy: -35.896 tors. eta vs tors. theta energy: -14.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -447.991090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.991090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.991090 (E_RNA) where: Base-Base interactions energy: -238.720 where: short stacking energy: -118.531 Base-Backbone interact. energy: 0.137 local terms energy: -209.408078 where: bonds (distance) C4'-P energy: -66.217 bonds (distance) P-C4' energy: -53.400 flat angles C4'-P-C4' energy: -48.243 flat angles P-C4'-P energy: -24.647 tors. eta vs tors. theta energy: -16.900 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: 3 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -245.268505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.268505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.268505 (E_RNA) where: Base-Base interactions energy: -92.630 where: short stacking energy: -68.579 Base-Backbone interact. energy: 2.616 local terms energy: -155.254695 where: bonds (distance) C4'-P energy: -39.673 bonds (distance) P-C4' energy: -56.161 flat angles C4'-P-C4' energy: -34.787 flat angles P-C4'-P energy: -32.108 tors. eta vs tors. theta energy: 7.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1043.876102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.876102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.876102 (E_RNA) where: Base-Base interactions energy: -704.142 where: short stacking energy: -290.534 Base-Backbone interact. energy: -2.489 local terms energy: -337.245133 where: bonds (distance) C4'-P energy: -60.469 bonds (distance) P-C4' energy: -62.877 flat angles C4'-P-C4' energy: -73.024 flat angles P-C4'-P energy: -48.567 tors. eta vs tors. theta energy: -92.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -978.606222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.606222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.606222 (E_RNA) where: Base-Base interactions energy: -659.259 where: short stacking energy: -288.607 Base-Backbone interact. energy: 1.504 local terms energy: -320.850792 where: bonds (distance) C4'-P energy: -60.947 bonds (distance) P-C4' energy: -59.243 flat angles C4'-P-C4' energy: -69.491 flat angles P-C4'-P energy: -48.269 tors. eta vs tors. theta energy: -82.901 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: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -966.985467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.985467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.985467 (E_RNA) where: Base-Base interactions energy: -658.053 where: short stacking energy: -277.129 Base-Backbone interact. energy: -1.519 local terms energy: -307.413105 where: bonds (distance) C4'-P energy: -64.238 bonds (distance) P-C4' energy: -57.186 flat angles C4'-P-C4' energy: -67.014 flat angles P-C4'-P energy: -41.331 tors. eta vs tors. theta energy: -77.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -889.135282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.135282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.135282 (E_RNA) where: Base-Base interactions energy: -585.714 where: short stacking energy: -255.205 Base-Backbone interact. energy: -1.484 local terms energy: -301.937416 where: bonds (distance) C4'-P energy: -64.799 bonds (distance) P-C4' energy: -61.732 flat angles C4'-P-C4' energy: -58.711 flat angles P-C4'-P energy: -36.061 tors. eta vs tors. theta energy: -80.634 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: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -802.149794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.149794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.149794 (E_RNA) where: Base-Base interactions energy: -522.289 where: short stacking energy: -213.889 Base-Backbone interact. energy: -0.185 local terms energy: -279.676073 where: bonds (distance) C4'-P energy: -60.925 bonds (distance) P-C4' energy: -58.002 flat angles C4'-P-C4' energy: -54.406 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: -62.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -754.631184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.631184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.631184 (E_RNA) where: Base-Base interactions energy: -480.887 where: short stacking energy: -214.121 Base-Backbone interact. energy: -0.933 local terms energy: -272.811806 where: bonds (distance) C4'-P energy: -52.264 bonds (distance) P-C4' energy: -59.490 flat angles C4'-P-C4' energy: -62.557 flat angles P-C4'-P energy: -36.179 tors. eta vs tors. theta energy: -62.321 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: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -517.693855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.693855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.693855 (E_RNA) where: Base-Base interactions energy: -298.048 where: short stacking energy: -145.939 Base-Backbone interact. energy: -1.467 local terms energy: -218.178214 where: bonds (distance) C4'-P energy: -49.916 bonds (distance) P-C4' energy: -56.074 flat angles C4'-P-C4' energy: -59.245 flat angles P-C4'-P energy: -29.416 tors. eta vs tors. theta energy: -23.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -479.560970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.560970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.560970 (E_RNA) where: Base-Base interactions energy: -266.059 where: short stacking energy: -136.307 Base-Backbone interact. energy: 0.886 local terms energy: -214.388629 where: bonds (distance) C4'-P energy: -52.416 bonds (distance) P-C4' energy: -55.363 flat angles C4'-P-C4' energy: -47.728 flat angles P-C4'-P energy: -26.770 tors. eta vs tors. theta energy: -32.111 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: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -469.385665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.385665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.385665 (E_RNA) where: Base-Base interactions energy: -249.540 where: short stacking energy: -134.987 Base-Backbone interact. energy: 0.110 local terms energy: -219.955930 where: bonds (distance) C4'-P energy: -56.148 bonds (distance) P-C4' energy: -47.892 flat angles C4'-P-C4' energy: -59.756 flat angles P-C4'-P energy: -39.881 tors. eta vs tors. theta energy: -16.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -252.208787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.208787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.208787 (E_RNA) where: Base-Base interactions energy: -106.769 where: short stacking energy: -86.905 Base-Backbone interact. energy: 1.173 local terms energy: -146.613234 where: bonds (distance) C4'-P energy: -50.156 bonds (distance) P-C4' energy: -46.278 flat angles C4'-P-C4' energy: -25.161 flat angles P-C4'-P energy: -35.397 tors. eta vs tors. theta energy: 10.379 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: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1031.426167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.426167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.426167 (E_RNA) where: Base-Base interactions energy: -693.985 where: short stacking energy: -295.735 Base-Backbone interact. energy: -1.385 local terms energy: -336.056758 where: bonds (distance) C4'-P energy: -59.434 bonds (distance) P-C4' energy: -70.457 flat angles C4'-P-C4' energy: -71.334 flat angles P-C4'-P energy: -48.342 tors. eta vs tors. theta energy: -86.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1028.615666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.615666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.615666 (E_RNA) where: Base-Base interactions energy: -689.371 where: short stacking energy: -302.572 Base-Backbone interact. energy: -2.017 local terms energy: -337.227496 where: bonds (distance) C4'-P energy: -64.612 bonds (distance) P-C4' energy: -63.254 flat angles C4'-P-C4' energy: -68.931 flat angles P-C4'-P energy: -52.467 tors. eta vs tors. theta energy: -87.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -953.989395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.989395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.989395 (E_RNA) where: Base-Base interactions energy: -634.688 where: short stacking energy: -285.047 Base-Backbone interact. energy: -4.284 local terms energy: -315.017482 where: bonds (distance) C4'-P energy: -53.642 bonds (distance) P-C4' energy: -67.199 flat angles C4'-P-C4' energy: -66.755 flat angles P-C4'-P energy: -48.171 tors. eta vs tors. theta energy: -79.251 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: 196 Temperature: 1.050000 Total energy: -881.929720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.929720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.929720 (E_RNA) where: Base-Base interactions energy: -576.563 where: short stacking energy: -236.955 Base-Backbone interact. energy: -0.952 local terms energy: -304.414435 where: bonds (distance) C4'-P energy: -61.988 bonds (distance) P-C4' energy: -52.444 flat angles C4'-P-C4' energy: -69.966 flat angles P-C4'-P energy: -46.088 tors. eta vs tors. theta energy: -73.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -808.435391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.435391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.435391 (E_RNA) where: Base-Base interactions energy: -519.096 where: short stacking energy: -225.088 Base-Backbone interact. energy: -1.299 local terms energy: -288.040307 where: bonds (distance) C4'-P energy: -62.844 bonds (distance) P-C4' energy: -62.694 flat angles C4'-P-C4' energy: -59.326 flat angles P-C4'-P energy: -38.998 tors. eta vs tors. theta energy: -64.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -737.193126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.193126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.193126 (E_RNA) where: Base-Base interactions energy: -463.476 where: short stacking energy: -218.786 Base-Backbone interact. energy: -1.175 local terms energy: -272.541880 where: bonds (distance) C4'-P energy: -58.122 bonds (distance) P-C4' energy: -52.069 flat angles C4'-P-C4' energy: -62.556 flat angles P-C4'-P energy: -39.729 tors. eta vs tors. theta energy: -60.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -530.322013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.322013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.322013 (E_RNA) where: Base-Base interactions energy: -293.895 where: short stacking energy: -149.651 Base-Backbone interact. energy: 0.157 local terms energy: -236.583367 where: bonds (distance) C4'-P energy: -51.739 bonds (distance) P-C4' energy: -60.871 flat angles C4'-P-C4' energy: -51.218 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -29.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -466.869016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.869016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.869016 (E_RNA) where: Base-Base interactions energy: -272.179 where: short stacking energy: -140.274 Base-Backbone interact. energy: -0.090 local terms energy: -194.600385 where: bonds (distance) C4'-P energy: -46.867 bonds (distance) P-C4' energy: -62.926 flat angles C4'-P-C4' energy: -46.406 flat angles P-C4'-P energy: -19.235 tors. eta vs tors. theta energy: -19.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -445.091100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.091100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.091100 (E_RNA) where: Base-Base interactions energy: -235.512 where: short stacking energy: -123.444 Base-Backbone interact. energy: 0.147 local terms energy: -209.726139 where: bonds (distance) C4'-P energy: -60.358 bonds (distance) P-C4' energy: -55.434 flat angles C4'-P-C4' energy: -53.327 flat angles P-C4'-P energy: -27.925 tors. eta vs tors. theta energy: -12.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -253.664112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.664112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.664112 (E_RNA) where: Base-Base interactions energy: -101.752 where: short stacking energy: -78.763 Base-Backbone interact. energy: -0.175 local terms energy: -151.736382 where: bonds (distance) C4'-P energy: -61.474 bonds (distance) P-C4' energy: -46.456 flat angles C4'-P-C4' energy: -49.741 flat angles P-C4'-P energy: -13.277 tors. eta vs tors. theta energy: 19.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1044.039554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.039554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.039554 (E_RNA) where: Base-Base interactions energy: -718.980 where: short stacking energy: -298.787 Base-Backbone interact. energy: 1.090 local terms energy: -326.149930 where: bonds (distance) C4'-P energy: -68.073 bonds (distance) P-C4' energy: -61.955 flat angles C4'-P-C4' energy: -68.060 flat angles P-C4'-P energy: -36.870 tors. eta vs tors. theta energy: -91.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1025.087941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.087941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.087941 (E_RNA) where: Base-Base interactions energy: -701.016 where: short stacking energy: -292.180 Base-Backbone interact. energy: -0.698 local terms energy: -323.373865 where: bonds (distance) C4'-P energy: -60.943 bonds (distance) P-C4' energy: -63.840 flat angles C4'-P-C4' energy: -66.684 flat angles P-C4'-P energy: -43.078 tors. eta vs tors. theta energy: -88.829 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: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -971.074999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.074999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.074999 (E_RNA) where: Base-Base interactions energy: -646.271 where: short stacking energy: -268.847 Base-Backbone interact. energy: -1.783 local terms energy: -323.021958 where: bonds (distance) C4'-P energy: -61.251 bonds (distance) P-C4' energy: -61.628 flat angles C4'-P-C4' energy: -74.693 flat angles P-C4'-P energy: -47.322 tors. eta vs tors. theta energy: -78.127 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: 197 Temperature: 1.050000 Total energy: -873.550542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.550542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.550542 (E_RNA) where: Base-Base interactions energy: -567.647 where: short stacking energy: -256.927 Base-Backbone interact. energy: -0.542 local terms energy: -305.361339 where: bonds (distance) C4'-P energy: -62.212 bonds (distance) P-C4' energy: -65.005 flat angles C4'-P-C4' energy: -64.636 flat angles P-C4'-P energy: -33.050 tors. eta vs tors. theta energy: -80.459 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: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -810.472265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.472265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.472265 (E_RNA) where: Base-Base interactions energy: -527.987 where: short stacking energy: -220.132 Base-Backbone interact. energy: -2.353 local terms energy: -280.132170 where: bonds (distance) C4'-P energy: -60.506 bonds (distance) P-C4' energy: -61.568 flat angles C4'-P-C4' energy: -62.502 flat angles P-C4'-P energy: -35.670 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: 6, replica: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -717.765021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.765021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.765021 (E_RNA) where: Base-Base interactions energy: -468.220 where: short stacking energy: -225.333 Base-Backbone interact. energy: -1.168 local terms energy: -248.377526 where: bonds (distance) C4'-P energy: -46.182 bonds (distance) P-C4' energy: -50.294 flat angles C4'-P-C4' energy: -62.290 flat angles P-C4'-P energy: -29.055 tors. eta vs tors. theta energy: -60.557 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: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -533.014850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.014850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.014850 (E_RNA) where: Base-Base interactions energy: -280.970 where: short stacking energy: -152.551 Base-Backbone interact. energy: -0.655 local terms energy: -251.390162 where: bonds (distance) C4'-P energy: -58.124 bonds (distance) P-C4' energy: -54.603 flat angles C4'-P-C4' energy: -65.617 flat angles P-C4'-P energy: -39.395 tors. eta vs tors. theta energy: -33.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -452.608603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.608603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.608603 (E_RNA) where: Base-Base interactions energy: -233.824 where: short stacking energy: -126.988 Base-Backbone interact. energy: -0.996 local terms energy: -217.788497 where: bonds (distance) C4'-P energy: -53.588 bonds (distance) P-C4' energy: -57.992 flat angles C4'-P-C4' energy: -47.134 flat angles P-C4'-P energy: -34.651 tors. eta vs tors. theta energy: -24.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -438.062823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.062823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.062823 (E_RNA) where: Base-Base interactions energy: -232.975 where: short stacking energy: -127.546 Base-Backbone interact. energy: -0.325 local terms energy: -204.763354 where: bonds (distance) C4'-P energy: -52.480 bonds (distance) P-C4' energy: -62.529 flat angles C4'-P-C4' energy: -43.717 flat angles P-C4'-P energy: -36.724 tors. eta vs tors. theta energy: -9.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -250.794853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.794853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.794853 (E_RNA) where: Base-Base interactions energy: -90.997 where: short stacking energy: -64.077 Base-Backbone interact. energy: 0.023 local terms energy: -159.820381 where: bonds (distance) C4'-P energy: -52.333 bonds (distance) P-C4' energy: -51.937 flat angles C4'-P-C4' energy: -40.112 flat angles P-C4'-P energy: -21.248 tors. eta vs tors. theta energy: 5.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1053.826554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.826554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.826554 (E_RNA) where: Base-Base interactions energy: -702.284 where: short stacking energy: -303.709 Base-Backbone interact. energy: -0.980 local terms energy: -350.562288 where: bonds (distance) C4'-P energy: -67.434 bonds (distance) P-C4' energy: -68.529 flat angles C4'-P-C4' energy: -72.399 flat angles P-C4'-P energy: -47.809 tors. eta vs tors. theta energy: -94.391 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: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -995.146405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.146405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.146405 (E_RNA) where: Base-Base interactions energy: -677.765 where: short stacking energy: -288.030 Base-Backbone interact. energy: -1.304 local terms energy: -316.076810 where: bonds (distance) C4'-P energy: -61.686 bonds (distance) P-C4' energy: -60.869 flat angles C4'-P-C4' energy: -68.771 flat angles P-C4'-P energy: -41.678 tors. eta vs tors. theta energy: -83.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -973.794840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.794840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.794840 (E_RNA) where: Base-Base interactions energy: -659.262 where: short stacking energy: -277.273 Base-Backbone interact. energy: 0.014 local terms energy: -314.546324 where: bonds (distance) C4'-P energy: -48.557 bonds (distance) P-C4' energy: -70.780 flat angles C4'-P-C4' energy: -70.482 flat angles P-C4'-P energy: -42.838 tors. eta vs tors. theta energy: -81.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -905.678720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.678720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.678720 (E_RNA) where: Base-Base interactions energy: -610.291 where: short stacking energy: -255.022 Base-Backbone interact. energy: 1.790 local terms energy: -297.177258 where: bonds (distance) C4'-P energy: -53.797 bonds (distance) P-C4' energy: -60.113 flat angles C4'-P-C4' energy: -60.964 flat angles P-C4'-P energy: -44.741 tors. eta vs tors. theta energy: -77.562 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: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -802.784582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.784582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.784582 (E_RNA) where: Base-Base interactions energy: -531.968 where: short stacking energy: -234.115 Base-Backbone interact. energy: -1.765 local terms energy: -269.051324 where: bonds (distance) C4'-P energy: -48.581 bonds (distance) P-C4' energy: -61.823 flat angles C4'-P-C4' energy: -56.790 flat angles P-C4'-P energy: -38.051 tors. eta vs tors. theta energy: -63.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -728.868148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.868148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.868148 (E_RNA) where: Base-Base interactions energy: -468.151 where: short stacking energy: -211.995 Base-Backbone interact. energy: -0.274 local terms energy: -260.442340 where: bonds (distance) C4'-P energy: -56.740 bonds (distance) P-C4' energy: -61.000 flat angles C4'-P-C4' energy: -56.012 flat angles P-C4'-P energy: -37.370 tors. eta vs tors. theta energy: -49.321 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: 198 Temperature: 1.200000 Total energy: -577.061167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.061167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.061167 (E_RNA) where: Base-Base interactions energy: -329.569 where: short stacking energy: -161.868 Base-Backbone interact. energy: 0.146 local terms energy: -247.637894 where: bonds (distance) C4'-P energy: -53.607 bonds (distance) P-C4' energy: -65.950 flat angles C4'-P-C4' energy: -55.694 flat angles P-C4'-P energy: -31.400 tors. eta vs tors. theta energy: -40.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -497.188948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.188948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.188948 (E_RNA) where: Base-Base interactions energy: -277.926 where: short stacking energy: -140.796 Base-Backbone interact. energy: 0.349 local terms energy: -219.612084 where: bonds (distance) C4'-P energy: -46.627 bonds (distance) P-C4' energy: -52.690 flat angles C4'-P-C4' energy: -53.239 flat angles P-C4'-P energy: -37.199 tors. eta vs tors. theta energy: -29.857 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: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -458.632283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.632283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.632283 (E_RNA) where: Base-Base interactions energy: -256.551 where: short stacking energy: -126.372 Base-Backbone interact. energy: -1.830 local terms energy: -200.251169 where: bonds (distance) C4'-P energy: -42.381 bonds (distance) P-C4' energy: -61.789 flat angles C4'-P-C4' energy: -53.572 flat angles P-C4'-P energy: -25.899 tors. eta vs tors. theta energy: -16.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -263.676852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.676852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.676852 (E_RNA) where: Base-Base interactions energy: -80.272 where: short stacking energy: -78.064 Base-Backbone interact. energy: 3.446 local terms energy: -186.849955 where: bonds (distance) C4'-P energy: -60.460 bonds (distance) P-C4' energy: -49.606 flat angles C4'-P-C4' energy: -45.544 flat angles P-C4'-P energy: -37.173 tors. eta vs tors. theta energy: 5.933 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: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1060.605669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.605669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.605669 (E_RNA) where: Base-Base interactions energy: -725.944 where: short stacking energy: -311.722 Base-Backbone interact. energy: -0.868 local terms energy: -333.793660 where: bonds (distance) C4'-P energy: -62.212 bonds (distance) P-C4' energy: -71.097 flat angles C4'-P-C4' energy: -60.516 flat angles P-C4'-P energy: -47.424 tors. eta vs tors. theta energy: -92.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -992.501417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.501417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.501417 (E_RNA) where: Base-Base interactions energy: -669.074 where: short stacking energy: -292.166 Base-Backbone interact. energy: -1.400 local terms energy: -322.027135 where: bonds (distance) C4'-P energy: -62.786 bonds (distance) P-C4' energy: -57.527 flat angles C4'-P-C4' energy: -66.780 flat angles P-C4'-P energy: -42.732 tors. eta vs tors. theta energy: -92.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -966.404204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.404204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.404204 (E_RNA) where: Base-Base interactions energy: -662.761 where: short stacking energy: -271.015 Base-Backbone interact. energy: -1.146 local terms energy: -302.497432 where: bonds (distance) C4'-P energy: -51.451 bonds (distance) P-C4' energy: -60.165 flat angles C4'-P-C4' energy: -65.301 flat angles P-C4'-P energy: -38.343 tors. eta vs tors. theta energy: -87.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -943.668747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.668747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.668747 (E_RNA) where: Base-Base interactions energy: -647.238 where: short stacking energy: -274.972 Base-Backbone interact. energy: -2.004 local terms energy: -294.426600 where: bonds (distance) C4'-P energy: -56.296 bonds (distance) P-C4' energy: -49.426 flat angles C4'-P-C4' energy: -63.790 flat angles P-C4'-P energy: -37.491 tors. eta vs tors. theta energy: -87.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -836.609199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.609199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.609199 (E_RNA) where: Base-Base interactions energy: -551.553 where: short stacking energy: -246.649 Base-Backbone interact. energy: -0.037 local terms energy: -285.019919 where: bonds (distance) C4'-P energy: -57.663 bonds (distance) P-C4' energy: -48.522 flat angles C4'-P-C4' energy: -61.788 flat angles P-C4'-P energy: -45.098 tors. eta vs tors. theta energy: -71.949 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: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -717.614644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.614644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.614644 (E_RNA) where: Base-Base interactions energy: -443.063 where: short stacking energy: -206.501 Base-Backbone interact. energy: -1.086 local terms energy: -273.465444 where: bonds (distance) C4'-P energy: -62.660 bonds (distance) P-C4' energy: -53.556 flat angles C4'-P-C4' energy: -56.708 flat angles P-C4'-P energy: -39.926 tors. eta vs tors. theta energy: -60.616 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -559.615473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.615473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.615473 (E_RNA) where: Base-Base interactions energy: -325.959 where: short stacking energy: -160.171 Base-Backbone interact. energy: -0.779 local terms energy: -232.877247 where: bonds (distance) C4'-P energy: -60.447 bonds (distance) P-C4' energy: -56.223 flat angles C4'-P-C4' energy: -55.256 flat angles P-C4'-P energy: -29.717 tors. eta vs tors. theta energy: -31.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -480.604167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.604167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.604167 (E_RNA) where: Base-Base interactions energy: -241.427 where: short stacking energy: -134.461 Base-Backbone interact. energy: -0.358 local terms energy: -238.818937 where: bonds (distance) C4'-P energy: -60.476 bonds (distance) P-C4' energy: -54.682 flat angles C4'-P-C4' energy: -53.528 flat angles P-C4'-P energy: -46.259 tors. eta vs tors. theta energy: -23.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -435.339402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.339402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.339402 (E_RNA) where: Base-Base interactions energy: -250.240 where: short stacking energy: -134.457 Base-Backbone interact. energy: -0.680 local terms energy: -184.420030 where: bonds (distance) C4'-P energy: -54.697 bonds (distance) P-C4' energy: -50.558 flat angles C4'-P-C4' energy: -45.655 flat angles P-C4'-P energy: -19.080 tors. eta vs tors. theta energy: -14.431 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: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -250.728887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.728887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.728887 (E_RNA) where: Base-Base interactions energy: -108.758 where: short stacking energy: -71.488 Base-Backbone interact. energy: -1.964 local terms energy: -140.007119 where: bonds (distance) C4'-P energy: -42.871 bonds (distance) P-C4' energy: -47.791 flat angles C4'-P-C4' energy: -43.667 flat angles P-C4'-P energy: -17.817 tors. eta vs tors. theta energy: 12.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1040.682858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.682858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.682858 (E_RNA) where: Base-Base interactions energy: -714.881 where: short stacking energy: -307.088 Base-Backbone interact. energy: -0.672 local terms energy: -325.129558 where: bonds (distance) C4'-P energy: -55.499 bonds (distance) P-C4' energy: -54.205 flat angles C4'-P-C4' energy: -72.248 flat angles P-C4'-P energy: -42.454 tors. eta vs tors. theta energy: -100.724 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: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -994.672497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.672497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.672497 (E_RNA) where: Base-Base interactions energy: -656.970 where: short stacking energy: -273.897 Base-Backbone interact. energy: 2.346 local terms energy: -340.048960 where: bonds (distance) C4'-P energy: -64.001 bonds (distance) P-C4' energy: -74.869 flat angles C4'-P-C4' energy: -70.219 flat angles P-C4'-P energy: -49.022 tors. eta vs tors. theta energy: -81.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -965.864560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.864560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.864560 (E_RNA) where: Base-Base interactions energy: -647.483 where: short stacking energy: -262.196 Base-Backbone interact. energy: -1.346 local terms energy: -317.035762 where: bonds (distance) C4'-P energy: -61.647 bonds (distance) P-C4' energy: -62.858 flat angles C4'-P-C4' energy: -68.452 flat angles P-C4'-P energy: -43.141 tors. eta vs tors. theta energy: -80.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -897.737240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.737240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.737240 (E_RNA) where: Base-Base interactions energy: -615.519 where: short stacking energy: -249.093 Base-Backbone interact. energy: -0.516 local terms energy: -281.702200 where: bonds (distance) C4'-P energy: -60.734 bonds (distance) P-C4' energy: -49.098 flat angles C4'-P-C4' energy: -62.304 flat angles P-C4'-P energy: -38.226 tors. eta vs tors. theta energy: -71.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -879.262396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.262396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.262396 (E_RNA) where: Base-Base interactions energy: -603.826 where: short stacking energy: -242.976 Base-Backbone interact. energy: -1.521 local terms energy: -273.915090 where: bonds (distance) C4'-P energy: -57.029 bonds (distance) P-C4' energy: -58.687 flat angles C4'-P-C4' energy: -53.101 flat angles P-C4'-P energy: -25.915 tors. eta vs tors. theta energy: -79.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -742.596620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.596620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.596620 (E_RNA) where: Base-Base interactions energy: -480.516 where: short stacking energy: -219.635 Base-Backbone interact. energy: -1.228 local terms energy: -260.853403 where: bonds (distance) C4'-P energy: -60.088 bonds (distance) P-C4' energy: -47.130 flat angles C4'-P-C4' energy: -58.308 flat angles P-C4'-P energy: -36.256 tors. eta vs tors. theta energy: -59.072 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: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -560.334875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.334875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.334875 (E_RNA) where: Base-Base interactions energy: -327.281 where: short stacking energy: -157.772 Base-Backbone interact. energy: -1.748 local terms energy: -231.305544 where: bonds (distance) C4'-P energy: -51.739 bonds (distance) P-C4' energy: -56.709 flat angles C4'-P-C4' energy: -47.649 flat angles P-C4'-P energy: -43.493 tors. eta vs tors. theta energy: -31.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -499.436332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.436332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.436332 (E_RNA) where: Base-Base interactions energy: -289.870 where: short stacking energy: -136.930 Base-Backbone interact. energy: -0.560 local terms energy: -209.006727 where: bonds (distance) C4'-P energy: -51.367 bonds (distance) P-C4' energy: -59.232 flat angles C4'-P-C4' energy: -56.283 flat angles P-C4'-P energy: -30.063 tors. eta vs tors. theta energy: -12.062 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: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -426.934218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.934218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.934218 (E_RNA) where: Base-Base interactions energy: -228.854 where: short stacking energy: -102.303 Base-Backbone interact. energy: -1.341 local terms energy: -196.739603 where: bonds (distance) C4'-P energy: -45.852 bonds (distance) P-C4' energy: -59.033 flat angles C4'-P-C4' energy: -51.614 flat angles P-C4'-P energy: -32.076 tors. eta vs tors. theta energy: -8.166 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: 3 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -258.218137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.218137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.218137 (E_RNA) where: Base-Base interactions energy: -84.872 where: short stacking energy: -71.248 Base-Backbone interact. energy: 3.289 local terms energy: -176.634495 where: bonds (distance) C4'-P energy: -49.672 bonds (distance) P-C4' energy: -54.048 flat angles C4'-P-C4' energy: -57.384 flat angles P-C4'-P energy: -26.987 tors. eta vs tors. theta energy: 11.457 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: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1049.784374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.784374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.784374 (E_RNA) where: Base-Base interactions energy: -705.076 where: short stacking energy: -305.439 Base-Backbone interact. energy: -1.896 local terms energy: -342.812633 where: bonds (distance) C4'-P energy: -61.454 bonds (distance) P-C4' energy: -66.825 flat angles C4'-P-C4' energy: -69.503 flat angles P-C4'-P energy: -45.644 tors. eta vs tors. theta energy: -99.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -988.297664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.297664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.297664 (E_RNA) where: Base-Base interactions energy: -673.659 where: short stacking energy: -291.280 Base-Backbone interact. energy: -1.457 local terms energy: -313.181030 where: bonds (distance) C4'-P energy: -55.132 bonds (distance) P-C4' energy: -60.293 flat angles C4'-P-C4' energy: -61.531 flat angles P-C4'-P energy: -51.798 tors. eta vs tors. theta energy: -84.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -980.436231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.436231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.436231 (E_RNA) where: Base-Base interactions energy: -668.996 where: short stacking energy: -260.843 Base-Backbone interact. energy: -1.507 local terms energy: -309.932343 where: bonds (distance) C4'-P energy: -53.232 bonds (distance) P-C4' energy: -66.162 flat angles C4'-P-C4' energy: -68.029 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -77.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -895.437307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.437307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.437307 (E_RNA) where: Base-Base interactions energy: -607.931 where: short stacking energy: -255.521 Base-Backbone interact. energy: -0.853 local terms energy: -286.653189 where: bonds (distance) C4'-P energy: -58.319 bonds (distance) P-C4' energy: -60.192 flat angles C4'-P-C4' energy: -57.618 flat angles P-C4'-P energy: -40.477 tors. eta vs tors. theta energy: -70.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -888.734352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.734352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.734352 (E_RNA) where: Base-Base interactions energy: -582.077 where: short stacking energy: -263.935 Base-Backbone interact. energy: -0.072 local terms energy: -306.585465 where: bonds (distance) C4'-P energy: -65.809 bonds (distance) P-C4' energy: -58.517 flat angles C4'-P-C4' energy: -55.866 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -78.721 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: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -720.921013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.921013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.921013 (E_RNA) where: Base-Base interactions energy: -461.981 where: short stacking energy: -197.020 Base-Backbone interact. energy: -0.793 local terms energy: -258.146509 where: bonds (distance) C4'-P energy: -44.455 bonds (distance) P-C4' energy: -52.275 flat angles C4'-P-C4' energy: -69.145 flat angles P-C4'-P energy: -41.738 tors. eta vs tors. theta energy: -50.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -535.049566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.049566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.049566 (E_RNA) where: Base-Base interactions energy: -306.257 where: short stacking energy: -151.160 Base-Backbone interact. energy: -1.019 local terms energy: -227.773860 where: bonds (distance) C4'-P energy: -47.461 bonds (distance) P-C4' energy: -53.459 flat angles C4'-P-C4' energy: -52.340 flat angles P-C4'-P energy: -35.991 tors. eta vs tors. theta energy: -38.523 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: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -469.370455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.370455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.370455 (E_RNA) where: Base-Base interactions energy: -268.313 where: short stacking energy: -135.404 Base-Backbone interact. energy: -1.892 local terms energy: -199.164871 where: bonds (distance) C4'-P energy: -37.149 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -54.053 flat angles P-C4'-P energy: -33.283 tors. eta vs tors. theta energy: -13.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -454.324021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.324021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.324021 (E_RNA) where: Base-Base interactions energy: -290.709 where: short stacking energy: -122.341 Base-Backbone interact. energy: -0.378 local terms energy: -163.237204 where: bonds (distance) C4'-P energy: -51.835 bonds (distance) P-C4' energy: -43.385 flat angles C4'-P-C4' energy: -42.351 flat angles P-C4'-P energy: -19.627 tors. eta vs tors. theta energy: -6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -254.202559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.202559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.202559 (E_RNA) where: Base-Base interactions energy: -82.729 where: short stacking energy: -69.726 Base-Backbone interact. energy: -1.059 local terms energy: -170.414722 where: bonds (distance) C4'-P energy: -50.355 bonds (distance) P-C4' energy: -55.094 flat angles C4'-P-C4' energy: -47.781 flat angles P-C4'-P energy: -30.597 tors. eta vs tors. theta energy: 13.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1052.087387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.087387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.087387 (E_RNA) where: Base-Base interactions energy: -708.671 where: short stacking energy: -313.695 Base-Backbone interact. energy: -0.029 local terms energy: -343.387410 where: bonds (distance) C4'-P energy: -65.105 bonds (distance) P-C4' energy: -61.407 flat angles C4'-P-C4' energy: -69.173 flat angles P-C4'-P energy: -47.765 tors. eta vs tors. theta energy: -99.937 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: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1041.055804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.055804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.055804 (E_RNA) where: Base-Base interactions energy: -703.846 where: short stacking energy: -308.408 Base-Backbone interact. energy: -2.338 local terms energy: -334.871567 where: bonds (distance) C4'-P energy: -57.343 bonds (distance) P-C4' energy: -59.378 flat angles C4'-P-C4' energy: -75.106 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -93.829 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: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -978.125366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.125366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.125366 (E_RNA) where: Base-Base interactions energy: -668.475 where: short stacking energy: -282.164 Base-Backbone interact. energy: 1.632 local terms energy: -311.281652 where: bonds (distance) C4'-P energy: -59.669 bonds (distance) P-C4' energy: -69.619 flat angles C4'-P-C4' energy: -61.069 flat angles P-C4'-P energy: -43.806 tors. eta vs tors. theta energy: -77.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -910.108281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.108281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.108281 (E_RNA) where: Base-Base interactions energy: -624.702 where: short stacking energy: -249.594 Base-Backbone interact. energy: -1.603 local terms energy: -283.803523 where: bonds (distance) C4'-P energy: -58.401 bonds (distance) P-C4' energy: -61.644 flat angles C4'-P-C4' energy: -48.797 flat angles P-C4'-P energy: -35.142 tors. eta vs tors. theta energy: -79.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -944.775720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.775720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.775720 (E_RNA) where: Base-Base interactions energy: -656.419 where: short stacking energy: -281.111 Base-Backbone interact. energy: -0.897 local terms energy: -287.460009 where: bonds (distance) C4'-P energy: -48.075 bonds (distance) P-C4' energy: -54.441 flat angles C4'-P-C4' energy: -62.506 flat angles P-C4'-P energy: -38.930 tors. eta vs tors. theta energy: -83.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -750.357732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.357732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.357732 (E_RNA) where: Base-Base interactions energy: -477.980 where: short stacking energy: -220.422 Base-Backbone interact. energy: -0.415 local terms energy: -271.963047 where: bonds (distance) C4'-P energy: -56.757 bonds (distance) P-C4' energy: -63.459 flat angles C4'-P-C4' energy: -52.317 flat angles P-C4'-P energy: -36.296 tors. eta vs tors. theta energy: -63.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -491.266528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.266528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.266528 (E_RNA) where: Base-Base interactions energy: -259.449 where: short stacking energy: -147.604 Base-Backbone interact. energy: -1.140 local terms energy: -230.677007 where: bonds (distance) C4'-P energy: -62.402 bonds (distance) P-C4' energy: -54.640 flat angles C4'-P-C4' energy: -57.829 flat angles P-C4'-P energy: -37.061 tors. eta vs tors. theta energy: -18.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -472.130231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.130231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.130231 (E_RNA) where: Base-Base interactions energy: -248.715 where: short stacking energy: -140.621 Base-Backbone interact. energy: -1.321 local terms energy: -222.094157 where: bonds (distance) C4'-P energy: -54.398 bonds (distance) P-C4' energy: -54.388 flat angles C4'-P-C4' energy: -55.141 flat angles P-C4'-P energy: -39.705 tors. eta vs tors. theta energy: -18.463 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: 9, replica: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -447.312160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.312160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.312160 (E_RNA) where: Base-Base interactions energy: -259.260 where: short stacking energy: -132.228 Base-Backbone interact. energy: 0.139 local terms energy: -188.191649 where: bonds (distance) C4'-P energy: -50.927 bonds (distance) P-C4' energy: -56.019 flat angles C4'-P-C4' energy: -51.652 flat angles P-C4'-P energy: -14.883 tors. eta vs tors. theta energy: -14.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -257.464456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.464456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.464456 (E_RNA) where: Base-Base interactions energy: -83.986 where: short stacking energy: -69.951 Base-Backbone interact. energy: 0.000 local terms energy: -173.478786 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -52.661 flat angles C4'-P-C4' energy: -42.546 flat angles P-C4'-P energy: -24.694 tors. eta vs tors. theta energy: 0.929 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: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1061.502744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.502744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.502744 (E_RNA) where: Base-Base interactions energy: -710.346 where: short stacking energy: -315.788 Base-Backbone interact. energy: -2.460 local terms energy: -348.696680 where: bonds (distance) C4'-P energy: -64.543 bonds (distance) P-C4' energy: -61.432 flat angles C4'-P-C4' energy: -75.227 flat angles P-C4'-P energy: -47.545 tors. eta vs tors. theta energy: -99.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1015.821386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.821386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.821386 (E_RNA) where: Base-Base interactions energy: -687.287 where: short stacking energy: -295.268 Base-Backbone interact. energy: -0.404 local terms energy: -328.129777 where: bonds (distance) C4'-P energy: -55.220 bonds (distance) P-C4' energy: -62.513 flat angles C4'-P-C4' energy: -69.908 flat angles P-C4'-P energy: -50.013 tors. eta vs tors. theta energy: -90.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -977.142925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.142925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.142925 (E_RNA) where: Base-Base interactions energy: -665.891 where: short stacking energy: -278.838 Base-Backbone interact. energy: -0.420 local terms energy: -310.831842 where: bonds (distance) C4'-P energy: -56.095 bonds (distance) P-C4' energy: -65.828 flat angles C4'-P-C4' energy: -72.109 flat angles P-C4'-P energy: -34.700 tors. eta vs tors. theta energy: -82.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -952.201764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.201764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.201764 (E_RNA) where: Base-Base interactions energy: -635.255 where: short stacking energy: -278.309 Base-Backbone interact. energy: 0.153 local terms energy: -317.099587 where: bonds (distance) C4'-P energy: -65.687 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -66.896 flat angles P-C4'-P energy: -44.097 tors. eta vs tors. theta energy: -78.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -898.310044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.310044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.310044 (E_RNA) where: Base-Base interactions energy: -613.477 where: short stacking energy: -272.687 Base-Backbone interact. energy: -3.086 local terms energy: -281.746594 where: bonds (distance) C4'-P energy: -47.076 bonds (distance) P-C4' energy: -58.443 flat angles C4'-P-C4' energy: -64.136 flat angles P-C4'-P energy: -39.974 tors. eta vs tors. theta energy: -72.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -761.309882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.309882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.309882 (E_RNA) where: Base-Base interactions energy: -480.818 where: short stacking energy: -224.155 Base-Backbone interact. energy: -0.922 local terms energy: -279.570553 where: bonds (distance) C4'-P energy: -57.485 bonds (distance) P-C4' energy: -50.851 flat angles C4'-P-C4' energy: -64.807 flat angles P-C4'-P energy: -44.247 tors. eta vs tors. theta energy: -62.180 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: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -559.637126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.637126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.637126 (E_RNA) where: Base-Base interactions energy: -342.917 where: short stacking energy: -152.556 Base-Backbone interact. energy: -0.870 local terms energy: -215.849520 where: bonds (distance) C4'-P energy: -55.156 bonds (distance) P-C4' energy: -62.924 flat angles C4'-P-C4' energy: -46.210 flat angles P-C4'-P energy: -22.196 tors. eta vs tors. theta energy: -29.364 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: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -492.326650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.326650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.326650 (E_RNA) where: Base-Base interactions energy: -278.751 where: short stacking energy: -148.946 Base-Backbone interact. energy: 2.790 local terms energy: -216.366500 where: bonds (distance) C4'-P energy: -51.188 bonds (distance) P-C4' energy: -54.422 flat angles C4'-P-C4' energy: -40.573 flat angles P-C4'-P energy: -37.049 tors. eta vs tors. theta energy: -33.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -479.318426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.318426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.318426 (E_RNA) where: Base-Base interactions energy: -256.302 where: short stacking energy: -131.981 Base-Backbone interact. energy: 1.096 local terms energy: -224.112362 where: bonds (distance) C4'-P energy: -53.026 bonds (distance) P-C4' energy: -46.137 flat angles C4'-P-C4' energy: -61.013 flat angles P-C4'-P energy: -38.500 tors. eta vs tors. theta energy: -25.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -299.966568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.966568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.966568 (E_RNA) where: Base-Base interactions energy: -136.650 where: short stacking energy: -84.541 Base-Backbone interact. energy: -0.850 local terms energy: -162.467112 where: bonds (distance) C4'-P energy: -59.352 bonds (distance) P-C4' energy: -53.476 flat angles C4'-P-C4' energy: -35.358 flat angles P-C4'-P energy: -27.496 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: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1035.842584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.842584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.842584 (E_RNA) where: Base-Base interactions energy: -696.486 where: short stacking energy: -278.342 Base-Backbone interact. energy: -0.522 local terms energy: -338.834768 where: bonds (distance) C4'-P energy: -73.194 bonds (distance) P-C4' energy: -66.468 flat angles C4'-P-C4' energy: -65.511 flat angles P-C4'-P energy: -47.974 tors. eta vs tors. theta energy: -85.688 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: 1 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1033.720283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.720283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.720283 (E_RNA) where: Base-Base interactions energy: -696.790 where: short stacking energy: -302.598 Base-Backbone interact. energy: -1.714 local terms energy: -335.216483 where: bonds (distance) C4'-P energy: -66.659 bonds (distance) P-C4' energy: -62.602 flat angles C4'-P-C4' energy: -67.584 flat angles P-C4'-P energy: -48.286 tors. eta vs tors. theta energy: -90.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -982.295316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.295316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.295316 (E_RNA) where: Base-Base interactions energy: -651.232 where: short stacking energy: -264.498 Base-Backbone interact. energy: 0.519 local terms energy: -331.582322 where: bonds (distance) C4'-P energy: -63.241 bonds (distance) P-C4' energy: -62.359 flat angles C4'-P-C4' energy: -66.930 flat angles P-C4'-P energy: -52.553 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: 4, replica: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -953.660022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.660022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.660022 (E_RNA) where: Base-Base interactions energy: -630.643 where: short stacking energy: -270.655 Base-Backbone interact. energy: -0.566 local terms energy: -322.451031 where: bonds (distance) C4'-P energy: -66.697 bonds (distance) P-C4' energy: -51.848 flat angles C4'-P-C4' energy: -69.825 flat angles P-C4'-P energy: -47.516 tors. eta vs tors. theta energy: -86.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -858.143463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.143463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.143463 (E_RNA) where: Base-Base interactions energy: -574.037 where: short stacking energy: -250.048 Base-Backbone interact. energy: -1.482 local terms energy: -282.623917 where: bonds (distance) C4'-P energy: -47.643 bonds (distance) P-C4' energy: -53.844 flat angles C4'-P-C4' energy: -70.390 flat angles P-C4'-P energy: -39.910 tors. eta vs tors. theta energy: -70.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -731.863260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.863260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.863260 (E_RNA) where: Base-Base interactions energy: -453.826 where: short stacking energy: -211.961 Base-Backbone interact. energy: -0.284 local terms energy: -277.752971 where: bonds (distance) C4'-P energy: -63.054 bonds (distance) P-C4' energy: -62.599 flat angles C4'-P-C4' energy: -57.628 flat angles P-C4'-P energy: -42.968 tors. eta vs tors. theta energy: -51.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -558.097401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.097401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.097401 (E_RNA) where: Base-Base interactions energy: -338.272 where: short stacking energy: -162.153 Base-Backbone interact. energy: -2.076 local terms energy: -217.749124 where: bonds (distance) C4'-P energy: -52.250 bonds (distance) P-C4' energy: -52.163 flat angles C4'-P-C4' energy: -62.028 flat angles P-C4'-P energy: -25.384 tors. eta vs tors. theta energy: -25.924 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: 4 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -466.733139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.733139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.733139 (E_RNA) where: Base-Base interactions energy: -254.074 where: short stacking energy: -121.515 Base-Backbone interact. energy: -1.935 local terms energy: -210.723807 where: bonds (distance) C4'-P energy: -47.936 bonds (distance) P-C4' energy: -56.055 flat angles C4'-P-C4' energy: -60.320 flat angles P-C4'-P energy: -27.323 tors. eta vs tors. theta energy: -19.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -492.231166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.231166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.231166 (E_RNA) where: Base-Base interactions energy: -257.715 where: short stacking energy: -129.048 Base-Backbone interact. energy: -0.358 local terms energy: -234.158028 where: bonds (distance) C4'-P energy: -59.719 bonds (distance) P-C4' energy: -57.405 flat angles C4'-P-C4' energy: -56.487 flat angles P-C4'-P energy: -29.223 tors. eta vs tors. theta energy: -31.323 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: 3 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -271.197105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.197105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.197105 (E_RNA) where: Base-Base interactions energy: -106.141 where: short stacking energy: -60.862 Base-Backbone interact. energy: -0.429 local terms energy: -164.626636 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -58.052 flat angles C4'-P-C4' energy: -44.009 flat angles P-C4'-P energy: -16.629 tors. eta vs tors. theta energy: 8.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1047.149974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.149974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.149974 (E_RNA) where: Base-Base interactions energy: -712.911 where: short stacking energy: -314.831 Base-Backbone interact. energy: -0.971 local terms energy: -333.268470 where: bonds (distance) C4'-P energy: -63.149 bonds (distance) P-C4' energy: -58.582 flat angles C4'-P-C4' energy: -71.533 flat angles P-C4'-P energy: -43.826 tors. eta vs tors. theta energy: -96.178 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: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1021.364864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.364864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.364864 (E_RNA) where: Base-Base interactions energy: -689.992 where: short stacking energy: -290.501 Base-Backbone interact. energy: -0.084 local terms energy: -331.288421 where: bonds (distance) C4'-P energy: -61.395 bonds (distance) P-C4' energy: -66.339 flat angles C4'-P-C4' energy: -70.416 flat angles P-C4'-P energy: -41.048 tors. eta vs tors. theta energy: -92.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -976.488415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.488415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.488415 (E_RNA) where: Base-Base interactions energy: -661.484 where: short stacking energy: -277.374 Base-Backbone interact. energy: -1.586 local terms energy: -313.418678 where: bonds (distance) C4'-P energy: -60.100 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -58.606 flat angles P-C4'-P energy: -56.883 tors. eta vs tors. theta energy: -75.520 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: 4, replica: 5 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -974.612783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.612783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.612783 (E_RNA) where: Base-Base interactions energy: -666.006 where: short stacking energy: -291.422 Base-Backbone interact. energy: -1.099 local terms energy: -307.507560 where: bonds (distance) C4'-P energy: -59.630 bonds (distance) P-C4' energy: -60.640 flat angles C4'-P-C4' energy: -64.363 flat angles P-C4'-P energy: -39.831 tors. eta vs tors. theta energy: -83.044 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: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -844.554183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.554183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.554183 (E_RNA) where: Base-Base interactions energy: -576.145 where: short stacking energy: -257.598 Base-Backbone interact. energy: 2.128 local terms energy: -270.536630 where: bonds (distance) C4'-P energy: -47.708 bonds (distance) P-C4' energy: -56.355 flat angles C4'-P-C4' energy: -58.898 flat angles P-C4'-P energy: -33.372 tors. eta vs tors. theta energy: -74.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -768.774817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.774817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.774817 (E_RNA) where: Base-Base interactions energy: -492.814 where: short stacking energy: -227.206 Base-Backbone interact. energy: 1.410 local terms energy: -277.370714 where: bonds (distance) C4'-P energy: -56.705 bonds (distance) P-C4' energy: -62.117 flat angles C4'-P-C4' energy: -61.842 flat angles P-C4'-P energy: -36.256 tors. eta vs tors. theta energy: -60.451 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: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -542.662737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.662737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.662737 (E_RNA) where: Base-Base interactions energy: -322.434 where: short stacking energy: -141.780 Base-Backbone interact. energy: -0.653 local terms energy: -219.575347 where: bonds (distance) C4'-P energy: -53.737 bonds (distance) P-C4' energy: -59.764 flat angles C4'-P-C4' energy: -48.877 flat angles P-C4'-P energy: -30.854 tors. eta vs tors. theta energy: -26.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -481.210592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.210592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.210592 (E_RNA) where: Base-Base interactions energy: -271.429 where: short stacking energy: -142.543 Base-Backbone interact. energy: -1.176 local terms energy: -208.605188 where: bonds (distance) C4'-P energy: -55.272 bonds (distance) P-C4' energy: -55.541 flat angles C4'-P-C4' energy: -50.899 flat angles P-C4'-P energy: -34.193 tors. eta vs tors. theta energy: -12.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -445.164082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.164082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.164082 (E_RNA) where: Base-Base interactions energy: -251.520 where: short stacking energy: -125.838 Base-Backbone interact. energy: -1.291 local terms energy: -192.353621 where: bonds (distance) C4'-P energy: -56.875 bonds (distance) P-C4' energy: -57.660 flat angles C4'-P-C4' energy: -46.924 flat angles P-C4'-P energy: -19.729 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: 3 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -271.616163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.616163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.616163 (E_RNA) where: Base-Base interactions energy: -110.036 where: short stacking energy: -71.230 Base-Backbone interact. energy: -1.423 local terms energy: -160.157469 where: bonds (distance) C4'-P energy: -45.135 bonds (distance) P-C4' energy: -53.136 flat angles C4'-P-C4' energy: -39.394 flat angles P-C4'-P energy: -34.258 tors. eta vs tors. theta energy: 11.765 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: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1071.360760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.360760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.360760 (E_RNA) where: Base-Base interactions energy: -726.536 where: short stacking energy: -303.445 Base-Backbone interact. energy: -2.441 local terms energy: -342.384300 where: bonds (distance) C4'-P energy: -68.105 bonds (distance) P-C4' energy: -65.386 flat angles C4'-P-C4' energy: -63.569 flat angles P-C4'-P energy: -49.178 tors. eta vs tors. theta energy: -96.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1006.376972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.376972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.376972 (E_RNA) where: Base-Base interactions energy: -688.384 where: short stacking energy: -279.368 Base-Backbone interact. energy: -1.730 local terms energy: -316.263190 where: bonds (distance) C4'-P energy: -67.693 bonds (distance) P-C4' energy: -66.265 flat angles C4'-P-C4' energy: -61.669 flat angles P-C4'-P energy: -33.706 tors. eta vs tors. theta energy: -86.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -992.000972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.000972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.000972 (E_RNA) where: Base-Base interactions energy: -654.486 where: short stacking energy: -279.742 Base-Backbone interact. energy: -0.945 local terms energy: -336.570696 where: bonds (distance) C4'-P energy: -54.756 bonds (distance) P-C4' energy: -63.410 flat angles C4'-P-C4' energy: -76.287 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -89.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -933.665603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.665603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.665603 (E_RNA) where: Base-Base interactions energy: -636.432 where: short stacking energy: -255.126 Base-Backbone interact. energy: -1.951 local terms energy: -295.282345 where: bonds (distance) C4'-P energy: -55.163 bonds (distance) P-C4' energy: -58.086 flat angles C4'-P-C4' energy: -61.301 flat angles P-C4'-P energy: -36.348 tors. eta vs tors. theta energy: -84.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -823.237015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.237015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.237015 (E_RNA) where: Base-Base interactions energy: -543.481 where: short stacking energy: -232.471 Base-Backbone interact. energy: -3.803 local terms energy: -275.953175 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -57.220 flat angles C4'-P-C4' energy: -56.235 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -63.727 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: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -734.523095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.523095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.523095 (E_RNA) where: Base-Base interactions energy: -478.634 where: short stacking energy: -218.917 Base-Backbone interact. energy: 0.228 local terms energy: -256.116602 where: bonds (distance) C4'-P energy: -50.177 bonds (distance) P-C4' energy: -62.476 flat angles C4'-P-C4' energy: -56.839 flat angles P-C4'-P energy: -36.912 tors. eta vs tors. theta energy: -49.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -554.815867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.815867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.815867 (E_RNA) where: Base-Base interactions energy: -310.808 where: short stacking energy: -151.028 Base-Backbone interact. energy: -1.383 local terms energy: -242.625497 where: bonds (distance) C4'-P energy: -53.361 bonds (distance) P-C4' energy: -68.808 flat angles C4'-P-C4' energy: -53.874 flat angles P-C4'-P energy: -34.201 tors. eta vs tors. theta energy: -32.381 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: 8, replica: 9 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -474.291587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.291587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.291587 (E_RNA) where: Base-Base interactions energy: -237.300 where: short stacking energy: -115.825 Base-Backbone interact. energy: -0.583 local terms energy: -236.408746 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -56.444 flat angles C4'-P-C4' energy: -60.405 flat angles P-C4'-P energy: -38.968 tors. eta vs tors. theta energy: -17.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -450.208925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.208925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.208925 (E_RNA) where: Base-Base interactions energy: -230.145 where: short stacking energy: -119.365 Base-Backbone interact. energy: -1.104 local terms energy: -218.959891 where: bonds (distance) C4'-P energy: -51.653 bonds (distance) P-C4' energy: -60.003 flat angles C4'-P-C4' energy: -64.983 flat angles P-C4'-P energy: -30.514 tors. eta vs tors. theta energy: -11.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -270.314615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.314615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.314615 (E_RNA) where: Base-Base interactions energy: -90.183 where: short stacking energy: -74.669 Base-Backbone interact. energy: -0.971 local terms energy: -179.160347 where: bonds (distance) C4'-P energy: -54.810 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -47.237 flat angles P-C4'-P energy: -20.422 tors. eta vs tors. theta energy: 5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1064.490690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.490690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.490690 (E_RNA) where: Base-Base interactions energy: -715.620 where: short stacking energy: -301.804 Base-Backbone interact. energy: -1.352 local terms energy: -347.518453 where: bonds (distance) C4'-P energy: -72.995 bonds (distance) P-C4' energy: -69.411 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -45.625 tors. eta vs tors. theta energy: -90.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1026.827229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.827229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.827229 (E_RNA) where: Base-Base interactions energy: -694.543 where: short stacking energy: -292.526 Base-Backbone interact. energy: -0.589 local terms energy: -331.695753 where: bonds (distance) C4'-P energy: -69.452 bonds (distance) P-C4' energy: -60.014 flat angles C4'-P-C4' energy: -65.750 flat angles P-C4'-P energy: -43.372 tors. eta vs tors. theta energy: -93.107 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: 5 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -994.428334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.428334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.428334 (E_RNA) where: Base-Base interactions energy: -673.359 where: short stacking energy: -286.094 Base-Backbone interact. energy: -0.661 local terms energy: -320.409100 where: bonds (distance) C4'-P energy: -58.482 bonds (distance) P-C4' energy: -62.013 flat angles C4'-P-C4' energy: -65.221 flat angles P-C4'-P energy: -44.334 tors. eta vs tors. theta energy: -90.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -934.756633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.756633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.756633 (E_RNA) where: Base-Base interactions energy: -633.515 where: short stacking energy: -265.915 Base-Backbone interact. energy: 1.918 local terms energy: -303.158862 where: bonds (distance) C4'-P energy: -59.395 bonds (distance) P-C4' energy: -65.910 flat angles C4'-P-C4' energy: -64.303 flat angles P-C4'-P energy: -34.520 tors. eta vs tors. theta energy: -79.031 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: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -854.801693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.801693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.801693 (E_RNA) where: Base-Base interactions energy: -558.627 where: short stacking energy: -254.439 Base-Backbone interact. energy: -0.731 local terms energy: -295.444241 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -60.712 flat angles C4'-P-C4' energy: -69.007 flat angles P-C4'-P energy: -25.029 tors. eta vs tors. theta energy: -76.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -760.316374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.316374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.316374 (E_RNA) where: Base-Base interactions energy: -498.133 where: short stacking energy: -226.885 Base-Backbone interact. energy: -0.711 local terms energy: -261.472284 where: bonds (distance) C4'-P energy: -48.738 bonds (distance) P-C4' energy: -54.636 flat angles C4'-P-C4' energy: -63.009 flat angles P-C4'-P energy: -31.088 tors. eta vs tors. theta energy: -64.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -547.183486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.183486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.183486 (E_RNA) where: Base-Base interactions energy: -325.609 where: short stacking energy: -169.618 Base-Backbone interact. energy: 0.002 local terms energy: -221.576160 where: bonds (distance) C4'-P energy: -53.017 bonds (distance) P-C4' energy: -55.535 flat angles C4'-P-C4' energy: -50.957 flat angles P-C4'-P energy: -35.952 tors. eta vs tors. theta energy: -26.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -482.605955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.605955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.605955 (E_RNA) where: Base-Base interactions energy: -248.887 where: short stacking energy: -140.436 Base-Backbone interact. energy: 4.086 local terms energy: -237.805304 where: bonds (distance) C4'-P energy: -56.322 bonds (distance) P-C4' energy: -61.564 flat angles C4'-P-C4' energy: -56.852 flat angles P-C4'-P energy: -31.476 tors. eta vs tors. theta energy: -31.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -489.507084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.507084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.507084 (E_RNA) where: Base-Base interactions energy: -258.367 where: short stacking energy: -138.140 Base-Backbone interact. energy: -0.595 local terms energy: -230.545248 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -57.839 flat angles C4'-P-C4' energy: -54.137 flat angles P-C4'-P energy: -17.947 tors. eta vs tors. theta energy: -40.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -249.780469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.780469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.780469 (E_RNA) where: Base-Base interactions energy: -98.337 where: short stacking energy: -64.490 Base-Backbone interact. energy: -2.391 local terms energy: -149.052470 where: bonds (distance) C4'-P energy: -50.437 bonds (distance) P-C4' energy: -49.005 flat angles C4'-P-C4' energy: -43.934 flat angles P-C4'-P energy: -22.430 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: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1054.383919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.383919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.383919 (E_RNA) where: Base-Base interactions energy: -734.681 where: short stacking energy: -304.458 Base-Backbone interact. energy: -1.870 local terms energy: -317.832745 where: bonds (distance) C4'-P energy: -62.902 bonds (distance) P-C4' energy: -64.285 flat angles C4'-P-C4' energy: -64.153 flat angles P-C4'-P energy: -37.293 tors. eta vs tors. theta energy: -89.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1035.383175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.383175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.383175 (E_RNA) where: Base-Base interactions energy: -713.494 where: short stacking energy: -294.192 Base-Backbone interact. energy: -2.111 local terms energy: -319.778476 where: bonds (distance) C4'-P energy: -59.489 bonds (distance) P-C4' energy: -57.544 flat angles C4'-P-C4' energy: -69.024 flat angles P-C4'-P energy: -42.696 tors. eta vs tors. theta energy: -91.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -971.178629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.178629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.178629 (E_RNA) where: Base-Base interactions energy: -656.260 where: short stacking energy: -279.988 Base-Backbone interact. energy: -0.497 local terms energy: -314.421258 where: bonds (distance) C4'-P energy: -58.303 bonds (distance) P-C4' energy: -58.472 flat angles C4'-P-C4' energy: -65.673 flat angles P-C4'-P energy: -46.324 tors. eta vs tors. theta energy: -85.650 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: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -892.851491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.851491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.851491 (E_RNA) where: Base-Base interactions energy: -606.630 where: short stacking energy: -266.552 Base-Backbone interact. energy: -0.803 local terms energy: -285.418769 where: bonds (distance) C4'-P energy: -46.430 bonds (distance) P-C4' energy: -58.881 flat angles C4'-P-C4' energy: -61.556 flat angles P-C4'-P energy: -42.723 tors. eta vs tors. theta energy: -75.829 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: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -801.894717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.894717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.894717 (E_RNA) where: Base-Base interactions energy: -520.814 where: short stacking energy: -242.055 Base-Backbone interact. energy: -0.573 local terms energy: -280.508328 where: bonds (distance) C4'-P energy: -47.327 bonds (distance) P-C4' energy: -65.414 flat angles C4'-P-C4' energy: -58.645 flat angles P-C4'-P energy: -36.819 tors. eta vs tors. theta energy: -72.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -722.195286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.195286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.195286 (E_RNA) where: Base-Base interactions energy: -467.260 where: short stacking energy: -220.515 Base-Backbone interact. energy: 1.150 local terms energy: -256.084650 where: bonds (distance) C4'-P energy: -49.911 bonds (distance) P-C4' energy: -60.503 flat angles C4'-P-C4' energy: -54.403 flat angles P-C4'-P energy: -37.562 tors. eta vs tors. theta energy: -53.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -593.468842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.468842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.468842 (E_RNA) where: Base-Base interactions energy: -353.543 where: short stacking energy: -164.450 Base-Backbone interact. energy: -0.326 local terms energy: -239.600067 where: bonds (distance) C4'-P energy: -45.163 bonds (distance) P-C4' energy: -66.291 flat angles C4'-P-C4' energy: -61.307 flat angles P-C4'-P energy: -37.504 tors. eta vs tors. theta energy: -29.335 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: 8, replica: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -531.947983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.947983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.947983 (E_RNA) where: Base-Base interactions energy: -328.219 where: short stacking energy: -153.456 Base-Backbone interact. energy: -1.960 local terms energy: -201.769513 where: bonds (distance) C4'-P energy: -52.460 bonds (distance) P-C4' energy: -49.611 flat angles C4'-P-C4' energy: -40.707 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -20.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -470.933837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.933837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.933837 (E_RNA) where: Base-Base interactions energy: -258.992 where: short stacking energy: -143.774 Base-Backbone interact. energy: -1.144 local terms energy: -210.798505 where: bonds (distance) C4'-P energy: -44.435 bonds (distance) P-C4' energy: -54.382 flat angles C4'-P-C4' energy: -44.271 flat angles P-C4'-P energy: -35.506 tors. eta vs tors. theta energy: -32.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -242.923372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.923372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.923372 (E_RNA) where: Base-Base interactions energy: -100.210 where: short stacking energy: -76.748 Base-Backbone interact. energy: 2.836 local terms energy: -145.549535 where: bonds (distance) C4'-P energy: -55.589 bonds (distance) P-C4' energy: -54.649 flat angles C4'-P-C4' energy: -30.588 flat angles P-C4'-P energy: -15.405 tors. eta vs tors. theta energy: 10.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1047.257806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.257806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.257806 (E_RNA) where: Base-Base interactions energy: -705.529 where: short stacking energy: -299.013 Base-Backbone interact. energy: -0.923 local terms energy: -340.806713 where: bonds (distance) C4'-P energy: -60.896 bonds (distance) P-C4' energy: -62.935 flat angles C4'-P-C4' energy: -64.782 flat angles P-C4'-P energy: -56.972 tors. eta vs tors. theta energy: -95.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1018.291397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.291397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.291397 (E_RNA) where: Base-Base interactions energy: -690.950 where: short stacking energy: -274.684 Base-Backbone interact. energy: -0.824 local terms energy: -326.517534 where: bonds (distance) C4'-P energy: -67.708 bonds (distance) P-C4' energy: -59.439 flat angles C4'-P-C4' energy: -63.133 flat angles P-C4'-P energy: -51.727 tors. eta vs tors. theta energy: -84.510 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: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -969.699207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.699207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.699207 (E_RNA) where: Base-Base interactions energy: -650.773 where: short stacking energy: -290.443 Base-Backbone interact. energy: -0.338 local terms energy: -318.588380 where: bonds (distance) C4'-P energy: -56.644 bonds (distance) P-C4' energy: -63.328 flat angles C4'-P-C4' energy: -67.402 flat angles P-C4'-P energy: -47.695 tors. eta vs tors. theta energy: -83.518 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: 209 Temperature: 1.050000 Total energy: -897.901098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.901098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.901098 (E_RNA) where: Base-Base interactions energy: -595.897 where: short stacking energy: -258.624 Base-Backbone interact. energy: -1.178 local terms energy: -300.826254 where: bonds (distance) C4'-P energy: -55.070 bonds (distance) P-C4' energy: -61.284 flat angles C4'-P-C4' energy: -58.475 flat angles P-C4'-P energy: -52.483 tors. eta vs tors. theta energy: -73.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -779.440426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.440426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.440426 (E_RNA) where: Base-Base interactions energy: -498.989 where: short stacking energy: -221.254 Base-Backbone interact. energy: -2.094 local terms energy: -278.357459 where: bonds (distance) C4'-P energy: -58.974 bonds (distance) P-C4' energy: -56.956 flat angles C4'-P-C4' energy: -63.780 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -57.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -766.024290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.024290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.024290 (E_RNA) where: Base-Base interactions energy: -494.004 where: short stacking energy: -220.464 Base-Backbone interact. energy: 0.092 local terms energy: -272.111986 where: bonds (distance) C4'-P energy: -47.400 bonds (distance) P-C4' energy: -66.446 flat angles C4'-P-C4' energy: -60.094 flat angles P-C4'-P energy: -28.579 tors. eta vs tors. theta energy: -69.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -581.171957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.171957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.171957 (E_RNA) where: Base-Base interactions energy: -350.196 where: short stacking energy: -185.108 Base-Backbone interact. energy: 3.490 local terms energy: -234.466624 where: bonds (distance) C4'-P energy: -46.399 bonds (distance) P-C4' energy: -56.388 flat angles C4'-P-C4' energy: -63.535 flat angles P-C4'-P energy: -32.911 tors. eta vs tors. theta energy: -35.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -548.182833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.182833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.182833 (E_RNA) where: Base-Base interactions energy: -334.639 where: short stacking energy: -171.110 Base-Backbone interact. energy: -1.340 local terms energy: -212.204547 where: bonds (distance) C4'-P energy: -44.679 bonds (distance) P-C4' energy: -59.376 flat angles C4'-P-C4' energy: -57.278 flat angles P-C4'-P energy: -17.121 tors. eta vs tors. theta energy: -33.751 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: 209 Temperature: 1.300000 Total energy: -464.863216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.863216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.863216 (E_RNA) where: Base-Base interactions energy: -257.879 where: short stacking energy: -141.654 Base-Backbone interact. energy: -2.239 local terms energy: -204.745005 where: bonds (distance) C4'-P energy: -43.416 bonds (distance) P-C4' energy: -61.878 flat angles C4'-P-C4' energy: -45.721 flat angles P-C4'-P energy: -37.541 tors. eta vs tors. theta energy: -16.189 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: 3 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -273.510897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.510897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.510897 (E_RNA) where: Base-Base interactions energy: -103.700 where: short stacking energy: -49.245 Base-Backbone interact. energy: -2.421 local terms energy: -167.389581 where: bonds (distance) C4'-P energy: -43.708 bonds (distance) P-C4' energy: -48.565 flat angles C4'-P-C4' energy: -53.606 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: 20.239 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: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1059.330169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.330169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.330169 (E_RNA) where: Base-Base interactions energy: -729.169 where: short stacking energy: -311.443 Base-Backbone interact. energy: 1.022 local terms energy: -331.182980 where: bonds (distance) C4'-P energy: -65.414 bonds (distance) P-C4' energy: -68.017 flat angles C4'-P-C4' energy: -72.065 flat angles P-C4'-P energy: -36.792 tors. eta vs tors. theta energy: -88.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1024.296474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.296474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.296474 (E_RNA) where: Base-Base interactions energy: -706.409 where: short stacking energy: -300.139 Base-Backbone interact. energy: -0.746 local terms energy: -317.141647 where: bonds (distance) C4'-P energy: -65.344 bonds (distance) P-C4' energy: -68.262 flat angles C4'-P-C4' energy: -68.948 flat angles P-C4'-P energy: -27.138 tors. eta vs tors. theta energy: -87.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1008.715018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.715018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.715018 (E_RNA) where: Base-Base interactions energy: -678.174 where: short stacking energy: -301.641 Base-Backbone interact. energy: -1.225 local terms energy: -329.316254 where: bonds (distance) C4'-P energy: -56.825 bonds (distance) P-C4' energy: -65.866 flat angles C4'-P-C4' energy: -71.376 flat angles P-C4'-P energy: -42.669 tors. eta vs tors. theta energy: -92.580 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: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -919.714575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.714575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.714575 (E_RNA) where: Base-Base interactions energy: -637.727 where: short stacking energy: -272.769 Base-Backbone interact. energy: 2.744 local terms energy: -284.731564 where: bonds (distance) C4'-P energy: -56.772 bonds (distance) P-C4' energy: -50.122 flat angles C4'-P-C4' energy: -72.107 flat angles P-C4'-P energy: -30.326 tors. eta vs tors. theta energy: -75.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -756.930687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.930687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.930687 (E_RNA) where: Base-Base interactions energy: -503.624 where: short stacking energy: -205.188 Base-Backbone interact. energy: -0.890 local terms energy: -252.417185 where: bonds (distance) C4'-P energy: -38.602 bonds (distance) P-C4' energy: -55.720 flat angles C4'-P-C4' energy: -67.237 flat angles P-C4'-P energy: -34.049 tors. eta vs tors. theta energy: -56.809 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: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -722.831960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.831960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.831960 (E_RNA) where: Base-Base interactions energy: -465.597 where: short stacking energy: -198.264 Base-Backbone interact. energy: 3.626 local terms energy: -260.860726 where: bonds (distance) C4'-P energy: -51.933 bonds (distance) P-C4' energy: -56.249 flat angles C4'-P-C4' energy: -54.856 flat angles P-C4'-P energy: -43.812 tors. eta vs tors. theta energy: -54.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -524.898030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.898030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.898030 (E_RNA) where: Base-Base interactions energy: -307.227 where: short stacking energy: -138.032 Base-Backbone interact. energy: -1.665 local terms energy: -216.005618 where: bonds (distance) C4'-P energy: -49.657 bonds (distance) P-C4' energy: -61.027 flat angles C4'-P-C4' energy: -56.841 flat angles P-C4'-P energy: -23.352 tors. eta vs tors. theta energy: -25.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -514.665757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.665757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.665757 (E_RNA) where: Base-Base interactions energy: -288.042 where: short stacking energy: -147.847 Base-Backbone interact. energy: 0.562 local terms energy: -227.185263 where: bonds (distance) C4'-P energy: -57.887 bonds (distance) P-C4' energy: -58.025 flat angles C4'-P-C4' energy: -51.668 flat angles P-C4'-P energy: -27.053 tors. eta vs tors. theta energy: -32.553 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: 9, replica: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -465.293980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.293980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.293980 (E_RNA) where: Base-Base interactions energy: -251.373 where: short stacking energy: -124.169 Base-Backbone interact. energy: 0.635 local terms energy: -214.556705 where: bonds (distance) C4'-P energy: -55.928 bonds (distance) P-C4' energy: -52.430 flat angles C4'-P-C4' energy: -50.190 flat angles P-C4'-P energy: -36.510 tors. eta vs tors. theta energy: -19.498 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: 10, replica: 3 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -262.104219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.104219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.104219 (E_RNA) where: Base-Base interactions energy: -104.548 where: short stacking energy: -76.544 Base-Backbone interact. energy: 1.307 local terms energy: -158.864000 where: bonds (distance) C4'-P energy: -43.201 bonds (distance) P-C4' energy: -51.170 flat angles C4'-P-C4' energy: -39.729 flat angles P-C4'-P energy: -21.281 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1052.782038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.782038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.782038 (E_RNA) where: Base-Base interactions energy: -725.173 where: short stacking energy: -300.333 Base-Backbone interact. energy: -1.527 local terms energy: -326.081847 where: bonds (distance) C4'-P energy: -60.389 bonds (distance) P-C4' energy: -52.562 flat angles C4'-P-C4' energy: -69.384 flat angles P-C4'-P energy: -45.781 tors. eta vs tors. theta energy: -97.967 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: 211 Temperature: 0.950000 Total energy: -997.554672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.554672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.554672 (E_RNA) where: Base-Base interactions energy: -685.731 where: short stacking energy: -281.927 Base-Backbone interact. energy: -1.956 local terms energy: -309.866943 where: bonds (distance) C4'-P energy: -59.772 bonds (distance) P-C4' energy: -61.750 flat angles C4'-P-C4' energy: -58.163 flat angles P-C4'-P energy: -44.572 tors. eta vs tors. theta energy: -85.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -982.404112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.404112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.404112 (E_RNA) where: Base-Base interactions energy: -665.039 where: short stacking energy: -297.089 Base-Backbone interact. energy: -0.691 local terms energy: -316.674511 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -54.659 flat angles C4'-P-C4' energy: -64.378 flat angles P-C4'-P energy: -43.866 tors. eta vs tors. theta energy: -90.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -901.617955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.617955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.617955 (E_RNA) where: Base-Base interactions energy: -598.476 where: short stacking energy: -254.482 Base-Backbone interact. energy: -1.476 local terms energy: -301.666551 where: bonds (distance) C4'-P energy: -60.529 bonds (distance) P-C4' energy: -56.647 flat angles C4'-P-C4' energy: -63.339 flat angles P-C4'-P energy: -43.848 tors. eta vs tors. theta energy: -77.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -773.795644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.795644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.795644 (E_RNA) where: Base-Base interactions energy: -489.601 where: short stacking energy: -216.627 Base-Backbone interact. energy: -1.528 local terms energy: -282.666672 where: bonds (distance) C4'-P energy: -65.081 bonds (distance) P-C4' energy: -60.739 flat angles C4'-P-C4' energy: -54.937 flat angles P-C4'-P energy: -42.691 tors. eta vs tors. theta energy: -59.219 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: 211 Temperature: 1.150000 Total energy: -721.529127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.529127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.529127 (E_RNA) where: Base-Base interactions energy: -431.151 where: short stacking energy: -208.478 Base-Backbone interact. energy: -1.713 local terms energy: -288.665646 where: bonds (distance) C4'-P energy: -63.720 bonds (distance) P-C4' energy: -66.005 flat angles C4'-P-C4' energy: -56.980 flat angles P-C4'-P energy: -43.229 tors. eta vs tors. theta energy: -58.732 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: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -563.248088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.248088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.248088 (E_RNA) where: Base-Base interactions energy: -306.682 where: short stacking energy: -150.031 Base-Backbone interact. energy: -0.950 local terms energy: -255.615681 where: bonds (distance) C4'-P energy: -62.113 bonds (distance) P-C4' energy: -62.956 flat angles C4'-P-C4' energy: -56.087 flat angles P-C4'-P energy: -27.301 tors. eta vs tors. theta energy: -47.158 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: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -553.484774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.484774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.484774 (E_RNA) where: Base-Base interactions energy: -316.383 where: short stacking energy: -160.961 Base-Backbone interact. energy: 0.172 local terms energy: -237.273650 where: bonds (distance) C4'-P energy: -59.454 bonds (distance) P-C4' energy: -60.363 flat angles C4'-P-C4' energy: -53.571 flat angles P-C4'-P energy: -28.046 tors. eta vs tors. theta energy: -35.841 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: 4 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -450.435761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.435761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.435761 (E_RNA) where: Base-Base interactions energy: -256.655 where: short stacking energy: -129.966 Base-Backbone interact. energy: -0.805 local terms energy: -192.976524 where: bonds (distance) C4'-P energy: -44.220 bonds (distance) P-C4' energy: -61.928 flat angles C4'-P-C4' energy: -58.313 flat angles P-C4'-P energy: -12.708 tors. eta vs tors. theta energy: -15.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -253.174207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.174207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.174207 (E_RNA) where: Base-Base interactions energy: -95.078 where: short stacking energy: -82.104 Base-Backbone interact. energy: -1.324 local terms energy: -156.771889 where: bonds (distance) C4'-P energy: -50.992 bonds (distance) P-C4' energy: -50.351 flat angles C4'-P-C4' energy: -41.631 flat angles P-C4'-P energy: -26.155 tors. eta vs tors. theta energy: 12.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1070.310388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.310388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.310388 (E_RNA) where: Base-Base interactions energy: -732.903 where: short stacking energy: -307.901 Base-Backbone interact. energy: -1.792 local terms energy: -335.615279 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -72.881 flat angles C4'-P-C4' energy: -66.232 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: -84.562 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: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1017.021501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.021501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.021501 (E_RNA) where: Base-Base interactions energy: -684.393 where: short stacking energy: -294.339 Base-Backbone interact. energy: -0.925 local terms energy: -331.703551 where: bonds (distance) C4'-P energy: -59.696 bonds (distance) P-C4' energy: -61.886 flat angles C4'-P-C4' energy: -71.399 flat angles P-C4'-P energy: -44.761 tors. eta vs tors. theta energy: -93.962 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: 3, replica: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -987.228419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.228419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.228419 (E_RNA) where: Base-Base interactions energy: -675.759 where: short stacking energy: -295.998 Base-Backbone interact. energy: -2.501 local terms energy: -308.968105 where: bonds (distance) C4'-P energy: -52.519 bonds (distance) P-C4' energy: -58.590 flat angles C4'-P-C4' energy: -70.576 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: -87.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -914.138853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.138853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.138853 (E_RNA) where: Base-Base interactions energy: -631.250 where: short stacking energy: -235.884 Base-Backbone interact. energy: -2.576 local terms energy: -280.313092 where: bonds (distance) C4'-P energy: -56.669 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -61.120 flat angles P-C4'-P energy: -36.941 tors. eta vs tors. theta energy: -64.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -754.873234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.873234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.873234 (E_RNA) where: Base-Base interactions energy: -472.282 where: short stacking energy: -218.757 Base-Backbone interact. energy: -2.403 local terms energy: -280.188075 where: bonds (distance) C4'-P energy: -61.006 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -62.460 flat angles P-C4'-P energy: -36.432 tors. eta vs tors. theta energy: -59.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -729.777142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.777142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.777142 (E_RNA) where: Base-Base interactions energy: -456.139 where: short stacking energy: -207.933 Base-Backbone interact. energy: 0.705 local terms energy: -274.342988 where: bonds (distance) C4'-P energy: -60.219 bonds (distance) P-C4' energy: -61.650 flat angles C4'-P-C4' energy: -58.175 flat angles P-C4'-P energy: -44.598 tors. eta vs tors. theta energy: -49.701 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: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -589.295339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.295339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.295339 (E_RNA) where: Base-Base interactions energy: -349.961 where: short stacking energy: -166.810 Base-Backbone interact. energy: -1.272 local terms energy: -238.062102 where: bonds (distance) C4'-P energy: -50.018 bonds (distance) P-C4' energy: -53.356 flat angles C4'-P-C4' energy: -58.510 flat angles P-C4'-P energy: -36.897 tors. eta vs tors. theta energy: -39.280 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: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -566.946296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.946296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.946296 (E_RNA) where: Base-Base interactions energy: -330.615 where: short stacking energy: -166.149 Base-Backbone interact. energy: -1.286 local terms energy: -235.044519 where: bonds (distance) C4'-P energy: -47.099 bonds (distance) P-C4' energy: -55.964 flat angles C4'-P-C4' energy: -57.056 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: -36.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -435.319048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.319048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.319048 (E_RNA) where: Base-Base interactions energy: -231.555 where: short stacking energy: -119.086 Base-Backbone interact. energy: -0.263 local terms energy: -203.501188 where: bonds (distance) C4'-P energy: -57.153 bonds (distance) P-C4' energy: -49.189 flat angles C4'-P-C4' energy: -50.990 flat angles P-C4'-P energy: -26.993 tors. eta vs tors. theta energy: -19.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -268.377512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.377512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.377512 (E_RNA) where: Base-Base interactions energy: -89.827 where: short stacking energy: -70.392 Base-Backbone interact. energy: 1.570 local terms energy: -180.119958 where: bonds (distance) C4'-P energy: -56.577 bonds (distance) P-C4' energy: -56.516 flat angles C4'-P-C4' energy: -51.706 flat angles P-C4'-P energy: -28.325 tors. eta vs tors. theta energy: 13.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1052.461194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.461194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.461194 (E_RNA) where: Base-Base interactions energy: -711.295 where: short stacking energy: -306.866 Base-Backbone interact. energy: -1.437 local terms energy: -339.728880 where: bonds (distance) C4'-P energy: -66.964 bonds (distance) P-C4' energy: -58.618 flat angles C4'-P-C4' energy: -76.976 flat angles P-C4'-P energy: -41.784 tors. eta vs tors. theta energy: -95.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1016.039327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.039327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.039327 (E_RNA) where: Base-Base interactions energy: -689.277 where: short stacking energy: -296.453 Base-Backbone interact. energy: -0.668 local terms energy: -326.094196 where: bonds (distance) C4'-P energy: -67.839 bonds (distance) P-C4' energy: -55.128 flat angles C4'-P-C4' energy: -66.531 flat angles P-C4'-P energy: -45.145 tors. eta vs tors. theta energy: -91.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -993.103944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.103944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.103944 (E_RNA) where: Base-Base interactions energy: -694.856 where: short stacking energy: -283.761 Base-Backbone interact. energy: -0.574 local terms energy: -297.673699 where: bonds (distance) C4'-P energy: -64.349 bonds (distance) P-C4' energy: -54.939 flat angles C4'-P-C4' energy: -60.814 flat angles P-C4'-P energy: -33.432 tors. eta vs tors. theta energy: -84.140 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: 213 Temperature: 1.050000 Total energy: -925.169450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.169450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.169450 (E_RNA) where: Base-Base interactions energy: -612.263 where: short stacking energy: -254.890 Base-Backbone interact. energy: -1.906 local terms energy: -310.999895 where: bonds (distance) C4'-P energy: -54.474 bonds (distance) P-C4' energy: -68.426 flat angles C4'-P-C4' energy: -71.782 flat angles P-C4'-P energy: -38.571 tors. eta vs tors. theta energy: -77.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -696.336025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.336025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.336025 (E_RNA) where: Base-Base interactions energy: -429.304 where: short stacking energy: -191.594 Base-Backbone interact. energy: -0.865 local terms energy: -266.166962 where: bonds (distance) C4'-P energy: -52.084 bonds (distance) P-C4' energy: -54.604 flat angles C4'-P-C4' energy: -68.912 flat angles P-C4'-P energy: -40.296 tors. eta vs tors. theta energy: -50.270 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: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -747.774887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.774887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.774887 (E_RNA) where: Base-Base interactions energy: -478.199 where: short stacking energy: -235.323 Base-Backbone interact. energy: -1.103 local terms energy: -268.473815 where: bonds (distance) C4'-P energy: -45.654 bonds (distance) P-C4' energy: -52.991 flat angles C4'-P-C4' energy: -59.685 flat angles P-C4'-P energy: -44.702 tors. eta vs tors. theta energy: -65.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -556.911985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.911985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.911985 (E_RNA) where: Base-Base interactions energy: -311.888 where: short stacking energy: -167.590 Base-Backbone interact. energy: -1.020 local terms energy: -244.004386 where: bonds (distance) C4'-P energy: -44.728 bonds (distance) P-C4' energy: -62.208 flat angles C4'-P-C4' energy: -58.362 flat angles P-C4'-P energy: -43.169 tors. eta vs tors. theta energy: -35.537 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: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -538.963300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.963300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.963300 (E_RNA) where: Base-Base interactions energy: -295.115 where: short stacking energy: -136.190 Base-Backbone interact. energy: -1.783 local terms energy: -242.065259 where: bonds (distance) C4'-P energy: -63.813 bonds (distance) P-C4' energy: -56.913 flat angles C4'-P-C4' energy: -48.942 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -27.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -458.377329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.377329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.377329 (E_RNA) where: Base-Base interactions energy: -266.483 where: short stacking energy: -131.220 Base-Backbone interact. energy: 1.297 local terms energy: -193.190609 where: bonds (distance) C4'-P energy: -51.028 bonds (distance) P-C4' energy: -49.417 flat angles C4'-P-C4' energy: -51.789 flat angles P-C4'-P energy: -21.939 tors. eta vs tors. theta energy: -19.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -245.398897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.398897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.398897 (E_RNA) where: Base-Base interactions energy: -66.131 where: short stacking energy: -53.941 Base-Backbone interact. energy: -1.384 local terms energy: -177.883548 where: bonds (distance) C4'-P energy: -60.732 bonds (distance) P-C4' energy: -57.550 flat angles C4'-P-C4' energy: -49.563 flat angles P-C4'-P energy: -21.292 tors. eta vs tors. theta energy: 11.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1040.826667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.826667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.826667 (E_RNA) where: Base-Base interactions energy: -702.952 where: short stacking energy: -297.960 Base-Backbone interact. energy: -1.571 local terms energy: -336.303309 where: bonds (distance) C4'-P energy: -66.581 bonds (distance) P-C4' energy: -63.635 flat angles C4'-P-C4' energy: -67.030 flat angles P-C4'-P energy: -46.823 tors. eta vs tors. theta energy: -92.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -991.788561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.788561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.788561 (E_RNA) where: Base-Base interactions energy: -657.257 where: short stacking energy: -293.237 Base-Backbone interact. energy: -1.497 local terms energy: -333.034771 where: bonds (distance) C4'-P energy: -59.543 bonds (distance) P-C4' energy: -71.993 flat angles C4'-P-C4' energy: -65.400 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -85.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -974.216440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.216440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.216440 (E_RNA) where: Base-Base interactions energy: -667.142 where: short stacking energy: -279.530 Base-Backbone interact. energy: -1.515 local terms energy: -305.559572 where: bonds (distance) C4'-P energy: -55.872 bonds (distance) P-C4' energy: -53.953 flat angles C4'-P-C4' energy: -63.274 flat angles P-C4'-P energy: -43.577 tors. eta vs tors. theta energy: -88.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -897.605260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.605260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.605260 (E_RNA) where: Base-Base interactions energy: -607.831 where: short stacking energy: -232.959 Base-Backbone interact. energy: 0.439 local terms energy: -290.213992 where: bonds (distance) C4'-P energy: -52.747 bonds (distance) P-C4' energy: -63.308 flat angles C4'-P-C4' energy: -63.760 flat angles P-C4'-P energy: -49.470 tors. eta vs tors. theta energy: -60.928 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: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -820.840773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.840773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.840773 (E_RNA) where: Base-Base interactions energy: -525.889 where: short stacking energy: -231.583 Base-Backbone interact. energy: 0.675 local terms energy: -295.627107 where: bonds (distance) C4'-P energy: -60.097 bonds (distance) P-C4' energy: -58.634 flat angles C4'-P-C4' energy: -59.780 flat angles P-C4'-P energy: -45.688 tors. eta vs tors. theta energy: -71.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -669.215083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.215083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.215083 (E_RNA) where: Base-Base interactions energy: -408.480 where: short stacking energy: -188.603 Base-Backbone interact. energy: 0.609 local terms energy: -261.343758 where: bonds (distance) C4'-P energy: -66.382 bonds (distance) P-C4' energy: -52.802 flat angles C4'-P-C4' energy: -61.447 flat angles P-C4'-P energy: -35.872 tors. eta vs tors. theta energy: -44.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -533.912555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.912555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.912555 (E_RNA) where: Base-Base interactions energy: -305.888 where: short stacking energy: -165.922 Base-Backbone interact. energy: 1.006 local terms energy: -229.030192 where: bonds (distance) C4'-P energy: -49.412 bonds (distance) P-C4' energy: -54.717 flat angles C4'-P-C4' energy: -45.547 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -38.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -500.691083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.691083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.691083 (E_RNA) where: Base-Base interactions energy: -284.059 where: short stacking energy: -161.156 Base-Backbone interact. energy: 1.291 local terms energy: -217.922921 where: bonds (distance) C4'-P energy: -55.444 bonds (distance) P-C4' energy: -56.413 flat angles C4'-P-C4' energy: -45.451 flat angles P-C4'-P energy: -30.518 tors. eta vs tors. theta energy: -30.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -461.324535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.324535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.324535 (E_RNA) where: Base-Base interactions energy: -244.220 where: short stacking energy: -120.800 Base-Backbone interact. energy: 2.036 local terms energy: -219.140175 where: bonds (distance) C4'-P energy: -53.031 bonds (distance) P-C4' energy: -56.435 flat angles C4'-P-C4' energy: -58.360 flat angles P-C4'-P energy: -39.681 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -249.741091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.741091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.741091 (E_RNA) where: Base-Base interactions energy: -80.296 where: short stacking energy: -72.375 Base-Backbone interact. energy: 3.691 local terms energy: -173.136486 where: bonds (distance) C4'-P energy: -56.985 bonds (distance) P-C4' energy: -56.767 flat angles C4'-P-C4' energy: -43.646 flat angles P-C4'-P energy: -25.724 tors. eta vs tors. theta energy: 9.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1059.300424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.300424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.300424 (E_RNA) where: Base-Base interactions energy: -718.208 where: short stacking energy: -298.065 Base-Backbone interact. energy: -1.092 local terms energy: -339.999609 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -58.305 flat angles C4'-P-C4' energy: -68.320 flat angles P-C4'-P energy: -46.466 tors. eta vs tors. theta energy: -101.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1000.406099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.406099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.406099 (E_RNA) where: Base-Base interactions energy: -655.649 where: short stacking energy: -285.141 Base-Backbone interact. energy: -1.207 local terms energy: -343.550391 where: bonds (distance) C4'-P energy: -65.426 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -71.253 flat angles P-C4'-P energy: -51.066 tors. eta vs tors. theta energy: -90.487 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: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -960.631117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.631117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.631117 (E_RNA) where: Base-Base interactions energy: -646.713 where: short stacking energy: -269.705 Base-Backbone interact. energy: 1.483 local terms energy: -315.401381 where: bonds (distance) C4'-P energy: -62.992 bonds (distance) P-C4' energy: -68.374 flat angles C4'-P-C4' energy: -60.970 flat angles P-C4'-P energy: -41.169 tors. eta vs tors. theta energy: -81.897 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: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -892.885220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.885220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.885220 (E_RNA) where: Base-Base interactions energy: -619.489 where: short stacking energy: -243.084 Base-Backbone interact. energy: 1.252 local terms energy: -274.648157 where: bonds (distance) C4'-P energy: -50.310 bonds (distance) P-C4' energy: -54.851 flat angles C4'-P-C4' energy: -62.000 flat angles P-C4'-P energy: -42.110 tors. eta vs tors. theta energy: -65.377 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: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -811.711184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.711184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.711184 (E_RNA) where: Base-Base interactions energy: -527.389 where: short stacking energy: -220.353 Base-Backbone interact. energy: -0.230 local terms energy: -284.091479 where: bonds (distance) C4'-P energy: -52.047 bonds (distance) P-C4' energy: -58.145 flat angles C4'-P-C4' energy: -58.564 flat angles P-C4'-P energy: -51.285 tors. eta vs tors. theta energy: -64.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -680.639075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.639075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.639075 (E_RNA) where: Base-Base interactions energy: -436.289 where: short stacking energy: -204.927 Base-Backbone interact. energy: -1.145 local terms energy: -243.205643 where: bonds (distance) C4'-P energy: -62.574 bonds (distance) P-C4' energy: -55.753 flat angles C4'-P-C4' energy: -51.369 flat angles P-C4'-P energy: -25.407 tors. eta vs tors. theta energy: -48.102 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: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -510.101657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.101657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.101657 (E_RNA) where: Base-Base interactions energy: -274.242 where: short stacking energy: -151.596 Base-Backbone interact. energy: -0.974 local terms energy: -234.885849 where: bonds (distance) C4'-P energy: -50.237 bonds (distance) P-C4' energy: -64.921 flat angles C4'-P-C4' energy: -61.897 flat angles P-C4'-P energy: -28.038 tors. eta vs tors. theta energy: -29.791 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: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -499.597530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.597530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.597530 (E_RNA) where: Base-Base interactions energy: -268.120 where: short stacking energy: -141.334 Base-Backbone interact. energy: -1.595 local terms energy: -229.882826 where: bonds (distance) C4'-P energy: -59.775 bonds (distance) P-C4' energy: -55.538 flat angles C4'-P-C4' energy: -53.241 flat angles P-C4'-P energy: -37.250 tors. eta vs tors. theta energy: -24.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -459.695748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.695748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.695748 (E_RNA) where: Base-Base interactions energy: -239.850 where: short stacking energy: -134.035 Base-Backbone interact. energy: -0.567 local terms energy: -219.279008 where: bonds (distance) C4'-P energy: -52.565 bonds (distance) P-C4' energy: -64.507 flat angles C4'-P-C4' energy: -36.063 flat angles P-C4'-P energy: -41.533 tors. eta vs tors. theta energy: -24.611 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: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -266.937229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.937229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.937229 (E_RNA) where: Base-Base interactions energy: -95.392 where: short stacking energy: -75.941 Base-Backbone interact. energy: 0.888 local terms energy: -172.432691 where: bonds (distance) C4'-P energy: -45.512 bonds (distance) P-C4' energy: -61.212 flat angles C4'-P-C4' energy: -53.068 flat angles P-C4'-P energy: -35.028 tors. eta vs tors. theta energy: 22.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1053.418522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.418522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.418522 (E_RNA) where: Base-Base interactions energy: -720.167 where: short stacking energy: -311.006 Base-Backbone interact. energy: -1.045 local terms energy: -332.206529 where: bonds (distance) C4'-P energy: -58.340 bonds (distance) P-C4' energy: -64.018 flat angles C4'-P-C4' energy: -59.913 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -102.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1000.784089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.784089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.784089 (E_RNA) where: Base-Base interactions energy: -674.021 where: short stacking energy: -289.692 Base-Backbone interact. energy: -1.793 local terms energy: -324.969953 where: bonds (distance) C4'-P energy: -59.954 bonds (distance) P-C4' energy: -59.925 flat angles C4'-P-C4' energy: -65.591 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -90.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -991.199082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.199082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.199082 (E_RNA) where: Base-Base interactions energy: -672.095 where: short stacking energy: -280.921 Base-Backbone interact. energy: 0.156 local terms energy: -319.259658 where: bonds (distance) C4'-P energy: -53.512 bonds (distance) P-C4' energy: -67.194 flat angles C4'-P-C4' energy: -69.741 flat angles P-C4'-P energy: -45.869 tors. eta vs tors. theta energy: -82.944 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: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -953.533410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.533410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.533410 (E_RNA) where: Base-Base interactions energy: -649.651 where: short stacking energy: -271.417 Base-Backbone interact. energy: -1.419 local terms energy: -302.463420 where: bonds (distance) C4'-P energy: -49.743 bonds (distance) P-C4' energy: -66.443 flat angles C4'-P-C4' energy: -66.933 flat angles P-C4'-P energy: -33.157 tors. eta vs tors. theta energy: -86.187 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: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -798.968427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.968427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.968427 (E_RNA) where: Base-Base interactions energy: -520.865 where: short stacking energy: -233.912 Base-Backbone interact. energy: -0.886 local terms energy: -277.217521 where: bonds (distance) C4'-P energy: -59.483 bonds (distance) P-C4' energy: -56.263 flat angles C4'-P-C4' energy: -62.520 flat angles P-C4'-P energy: -34.762 tors. eta vs tors. theta energy: -64.189 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: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -662.904939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.904939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.904939 (E_RNA) where: Base-Base interactions energy: -407.196 where: short stacking energy: -189.840 Base-Backbone interact. energy: 1.677 local terms energy: -257.386557 where: bonds (distance) C4'-P energy: -52.346 bonds (distance) P-C4' energy: -62.880 flat angles C4'-P-C4' energy: -47.267 flat angles P-C4'-P energy: -32.835 tors. eta vs tors. theta energy: -62.057 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: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -493.788799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.788799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.788799 (E_RNA) where: Base-Base interactions energy: -273.735 where: short stacking energy: -154.137 Base-Backbone interact. energy: -0.411 local terms energy: -219.642562 where: bonds (distance) C4'-P energy: -45.406 bonds (distance) P-C4' energy: -52.911 flat angles C4'-P-C4' energy: -59.063 flat angles P-C4'-P energy: -37.088 tors. eta vs tors. theta energy: -25.175 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: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -493.714771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.714771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.714771 (E_RNA) where: Base-Base interactions energy: -268.223 where: short stacking energy: -128.235 Base-Backbone interact. energy: 0.917 local terms energy: -226.408422 where: bonds (distance) C4'-P energy: -65.572 bonds (distance) P-C4' energy: -52.281 flat angles C4'-P-C4' energy: -64.114 flat angles P-C4'-P energy: -20.318 tors. eta vs tors. theta energy: -24.124 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: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -472.000206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.000206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.000206 (E_RNA) where: Base-Base interactions energy: -277.102 where: short stacking energy: -135.018 Base-Backbone interact. energy: -1.527 local terms energy: -193.371098 where: bonds (distance) C4'-P energy: -45.699 bonds (distance) P-C4' energy: -59.393 flat angles C4'-P-C4' energy: -40.675 flat angles P-C4'-P energy: -25.988 tors. eta vs tors. theta energy: -21.616 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: 3 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -243.725768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.725768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.725768 (E_RNA) where: Base-Base interactions energy: -70.500 where: short stacking energy: -63.051 Base-Backbone interact. energy: 0.400 local terms energy: -173.626432 where: bonds (distance) C4'-P energy: -42.920 bonds (distance) P-C4' energy: -61.193 flat angles C4'-P-C4' energy: -44.709 flat angles P-C4'-P energy: -41.484 tors. eta vs tors. theta energy: 16.680 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: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1046.323019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.323019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.323019 (E_RNA) where: Base-Base interactions energy: -700.114 where: short stacking energy: -306.944 Base-Backbone interact. energy: -1.142 local terms energy: -345.066995 where: bonds (distance) C4'-P energy: -63.426 bonds (distance) P-C4' energy: -66.307 flat angles C4'-P-C4' energy: -68.403 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: -100.575 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: 217 Temperature: 0.950000 Total energy: -1017.396458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.396458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.396458 (E_RNA) where: Base-Base interactions energy: -687.790 where: short stacking energy: -275.577 Base-Backbone interact. energy: -0.586 local terms energy: -329.020835 where: bonds (distance) C4'-P energy: -61.877 bonds (distance) P-C4' energy: -68.948 flat angles C4'-P-C4' energy: -72.471 flat angles P-C4'-P energy: -42.932 tors. eta vs tors. theta energy: -82.793 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: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -983.772354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.772354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.772354 (E_RNA) where: Base-Base interactions energy: -653.516 where: short stacking energy: -304.174 Base-Backbone interact. energy: -0.543 local terms energy: -329.713231 where: bonds (distance) C4'-P energy: -57.443 bonds (distance) P-C4' energy: -63.792 flat angles C4'-P-C4' energy: -70.065 flat angles P-C4'-P energy: -49.638 tors. eta vs tors. theta energy: -88.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -949.753082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.753082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.753082 (E_RNA) where: Base-Base interactions energy: -622.039 where: short stacking energy: -256.074 Base-Backbone interact. energy: -2.306 local terms energy: -325.408638 where: bonds (distance) C4'-P energy: -68.810 bonds (distance) P-C4' energy: -64.730 flat angles C4'-P-C4' energy: -69.048 flat angles P-C4'-P energy: -42.869 tors. eta vs tors. theta energy: -79.952 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: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -795.368724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.368724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.368724 (E_RNA) where: Base-Base interactions energy: -522.863 where: short stacking energy: -221.437 Base-Backbone interact. energy: -1.817 local terms energy: -270.688818 where: bonds (distance) C4'-P energy: -51.516 bonds (distance) P-C4' energy: -57.600 flat angles C4'-P-C4' energy: -65.349 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -50.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -620.636191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.636191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.636191 (E_RNA) where: Base-Base interactions energy: -358.020 where: short stacking energy: -172.831 Base-Backbone interact. energy: -0.346 local terms energy: -262.270554 where: bonds (distance) C4'-P energy: -53.877 bonds (distance) P-C4' energy: -64.585 flat angles C4'-P-C4' energy: -59.902 flat angles P-C4'-P energy: -36.579 tors. eta vs tors. theta energy: -47.328 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: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -535.798015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.798015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.798015 (E_RNA) where: Base-Base interactions energy: -306.385 where: short stacking energy: -168.351 Base-Backbone interact. energy: 2.065 local terms energy: -231.477992 where: bonds (distance) C4'-P energy: -57.108 bonds (distance) P-C4' energy: -52.574 flat angles C4'-P-C4' energy: -63.085 flat angles P-C4'-P energy: -33.214 tors. eta vs tors. theta energy: -25.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -476.975520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.975520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.975520 (E_RNA) where: Base-Base interactions energy: -260.384 where: short stacking energy: -126.178 Base-Backbone interact. energy: 0.080 local terms energy: -216.671340 where: bonds (distance) C4'-P energy: -56.539 bonds (distance) P-C4' energy: -56.008 flat angles C4'-P-C4' energy: -46.824 flat angles P-C4'-P energy: -31.928 tors. eta vs tors. theta energy: -25.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -435.627254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.627254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.627254 (E_RNA) where: Base-Base interactions energy: -236.435 where: short stacking energy: -123.197 Base-Backbone interact. energy: -0.534 local terms energy: -198.658607 where: bonds (distance) C4'-P energy: -43.298 bonds (distance) P-C4' energy: -52.860 flat angles C4'-P-C4' energy: -49.668 flat angles P-C4'-P energy: -31.627 tors. eta vs tors. theta energy: -21.207 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: 3 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -243.583690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.583690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.583690 (E_RNA) where: Base-Base interactions energy: -79.980 where: short stacking energy: -61.564 Base-Backbone interact. energy: -1.489 local terms energy: -162.114855 where: bonds (distance) C4'-P energy: -46.188 bonds (distance) P-C4' energy: -65.081 flat angles C4'-P-C4' energy: -40.424 flat angles P-C4'-P energy: -25.988 tors. eta vs tors. theta energy: 15.566 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: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1046.495935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.495935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.495935 (E_RNA) where: Base-Base interactions energy: -692.934 where: short stacking energy: -294.843 Base-Backbone interact. energy: -3.072 local terms energy: -350.489353 where: bonds (distance) C4'-P energy: -62.472 bonds (distance) P-C4' energy: -68.686 flat angles C4'-P-C4' energy: -67.976 flat angles P-C4'-P energy: -51.297 tors. eta vs tors. theta energy: -100.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -999.855630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.855630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.855630 (E_RNA) where: Base-Base interactions energy: -688.573 where: short stacking energy: -285.682 Base-Backbone interact. energy: -0.300 local terms energy: -310.983132 where: bonds (distance) C4'-P energy: -68.076 bonds (distance) P-C4' energy: -55.139 flat angles C4'-P-C4' energy: -66.574 flat angles P-C4'-P energy: -39.460 tors. eta vs tors. theta energy: -81.735 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: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -992.679960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.679960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.679960 (E_RNA) where: Base-Base interactions energy: -661.107 where: short stacking energy: -300.160 Base-Backbone interact. energy: 0.916 local terms energy: -332.488421 where: bonds (distance) C4'-P energy: -60.086 bonds (distance) P-C4' energy: -65.574 flat angles C4'-P-C4' energy: -67.623 flat angles P-C4'-P energy: -38.195 tors. eta vs tors. theta energy: -101.011 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: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -924.408274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.408274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.408274 (E_RNA) where: Base-Base interactions energy: -613.284 where: short stacking energy: -274.627 Base-Backbone interact. energy: 0.128 local terms energy: -311.252354 where: bonds (distance) C4'-P energy: -56.489 bonds (distance) P-C4' energy: -67.998 flat angles C4'-P-C4' energy: -71.002 flat angles P-C4'-P energy: -36.443 tors. eta vs tors. theta energy: -79.320 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: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -798.981209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.981209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.981209 (E_RNA) where: Base-Base interactions energy: -511.216 where: short stacking energy: -223.365 Base-Backbone interact. energy: -0.732 local terms energy: -287.032614 where: bonds (distance) C4'-P energy: -57.593 bonds (distance) P-C4' energy: -64.908 flat angles C4'-P-C4' energy: -73.958 flat angles P-C4'-P energy: -28.036 tors. eta vs tors. theta energy: -62.537 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: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -610.058797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.058797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.058797 (E_RNA) where: Base-Base interactions energy: -371.060 where: short stacking energy: -168.530 Base-Backbone interact. energy: -0.311 local terms energy: -238.687488 where: bonds (distance) C4'-P energy: -54.177 bonds (distance) P-C4' energy: -61.336 flat angles C4'-P-C4' energy: -46.800 flat angles P-C4'-P energy: -39.266 tors. eta vs tors. theta energy: -37.108 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: 218 Temperature: 1.200000 Total energy: -573.132533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.132533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.132533 (E_RNA) where: Base-Base interactions energy: -337.448 where: short stacking energy: -164.804 Base-Backbone interact. energy: -2.515 local terms energy: -233.169733 where: bonds (distance) C4'-P energy: -57.264 bonds (distance) P-C4' energy: -56.055 flat angles C4'-P-C4' energy: -53.597 flat angles P-C4'-P energy: -25.361 tors. eta vs tors. theta energy: -40.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -478.598944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.598944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.598944 (E_RNA) where: Base-Base interactions energy: -271.314 where: short stacking energy: -129.028 Base-Backbone interact. energy: -1.480 local terms energy: -205.804819 where: bonds (distance) C4'-P energy: -54.428 bonds (distance) P-C4' energy: -58.390 flat angles C4'-P-C4' energy: -43.262 flat angles P-C4'-P energy: -29.665 tors. eta vs tors. theta energy: -20.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -427.822489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.822489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.822489 (E_RNA) where: Base-Base interactions energy: -240.440 where: short stacking energy: -116.249 Base-Backbone interact. energy: 2.381 local terms energy: -189.763529 where: bonds (distance) C4'-P energy: -55.111 bonds (distance) P-C4' energy: -50.923 flat angles C4'-P-C4' energy: -49.860 flat angles P-C4'-P energy: -31.336 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -294.902531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.902531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.902531 (E_RNA) where: Base-Base interactions energy: -124.029 where: short stacking energy: -84.289 Base-Backbone interact. energy: 0.380 local terms energy: -171.253344 where: bonds (distance) C4'-P energy: -45.976 bonds (distance) P-C4' energy: -49.275 flat angles C4'-P-C4' energy: -40.484 flat angles P-C4'-P energy: -33.797 tors. eta vs tors. theta energy: -1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1055.397516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.397516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.397516 (E_RNA) where: Base-Base interactions energy: -716.056 where: short stacking energy: -311.805 Base-Backbone interact. energy: -2.200 local terms energy: -337.141249 where: bonds (distance) C4'-P energy: -64.162 bonds (distance) P-C4' energy: -55.126 flat angles C4'-P-C4' energy: -70.020 flat angles P-C4'-P energy: -43.453 tors. eta vs tors. theta energy: -104.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -992.425447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.425447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.425447 (E_RNA) where: Base-Base interactions energy: -674.628 where: short stacking energy: -275.186 Base-Backbone interact. energy: 1.176 local terms energy: -318.973375 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -60.327 flat angles C4'-P-C4' energy: -71.232 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -81.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -991.969122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.969122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.969122 (E_RNA) where: Base-Base interactions energy: -655.829 where: short stacking energy: -292.184 Base-Backbone interact. energy: -0.300 local terms energy: -335.840293 where: bonds (distance) C4'-P energy: -57.706 bonds (distance) P-C4' energy: -58.148 flat angles C4'-P-C4' energy: -72.930 flat angles P-C4'-P energy: -54.956 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: 4, replica: 1 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -960.995896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.995896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.995896 (E_RNA) where: Base-Base interactions energy: -653.404 where: short stacking energy: -282.865 Base-Backbone interact. energy: -0.040 local terms energy: -307.551520 where: bonds (distance) C4'-P energy: -56.953 bonds (distance) P-C4' energy: -65.014 flat angles C4'-P-C4' energy: -55.445 flat angles P-C4'-P energy: -40.304 tors. eta vs tors. theta energy: -89.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -820.638267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.638267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.638267 (E_RNA) where: Base-Base interactions energy: -544.735 where: short stacking energy: -247.954 Base-Backbone interact. energy: -0.386 local terms energy: -275.517436 where: bonds (distance) C4'-P energy: -47.412 bonds (distance) P-C4' energy: -47.047 flat angles C4'-P-C4' energy: -62.905 flat angles P-C4'-P energy: -49.448 tors. eta vs tors. theta energy: -68.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -581.792347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.792347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.792347 (E_RNA) where: Base-Base interactions energy: -323.850 where: short stacking energy: -165.687 Base-Backbone interact. energy: 0.142 local terms energy: -258.084812 where: bonds (distance) C4'-P energy: -57.983 bonds (distance) P-C4' energy: -69.065 flat angles C4'-P-C4' energy: -53.725 flat angles P-C4'-P energy: -36.525 tors. eta vs tors. theta energy: -40.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -557.832646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.832646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.832646 (E_RNA) where: Base-Base interactions energy: -329.400 where: short stacking energy: -146.249 Base-Backbone interact. energy: 2.352 local terms energy: -230.784096 where: bonds (distance) C4'-P energy: -60.429 bonds (distance) P-C4' energy: -52.270 flat angles C4'-P-C4' energy: -53.921 flat angles P-C4'-P energy: -30.204 tors. eta vs tors. theta energy: -33.961 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: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -491.436539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.436539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.436539 (E_RNA) where: Base-Base interactions energy: -266.833 where: short stacking energy: -140.284 Base-Backbone interact. energy: -1.433 local terms energy: -223.170262 where: bonds (distance) C4'-P energy: -55.154 bonds (distance) P-C4' energy: -58.379 flat angles C4'-P-C4' energy: -52.440 flat angles P-C4'-P energy: -32.976 tors. eta vs tors. theta energy: -24.221 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: 4 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -441.491014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.491014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.491014 (E_RNA) where: Base-Base interactions energy: -238.388 where: short stacking energy: -121.342 Base-Backbone interact. energy: -0.925 local terms energy: -202.178366 where: bonds (distance) C4'-P energy: -55.521 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -50.916 flat angles P-C4'-P energy: -28.099 tors. eta vs tors. theta energy: -6.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -345.314498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.314498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.314498 (E_RNA) where: Base-Base interactions energy: -167.193 where: short stacking energy: -97.597 Base-Backbone interact. energy: -0.650 local terms energy: -177.471404 where: bonds (distance) C4'-P energy: -48.853 bonds (distance) P-C4' energy: -48.257 flat angles C4'-P-C4' energy: -44.391 flat angles P-C4'-P energy: -28.889 tors. eta vs tors. theta energy: -7.081 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: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1038.434012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.434012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.434012 (E_RNA) where: Base-Base interactions energy: -689.653 where: short stacking energy: -275.801 Base-Backbone interact. energy: -0.404 local terms energy: -348.377101 where: bonds (distance) C4'-P energy: -64.904 bonds (distance) P-C4' energy: -63.813 flat angles C4'-P-C4' energy: -74.227 flat angles P-C4'-P energy: -50.593 tors. eta vs tors. theta energy: -94.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1003.600810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.600810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.600810 (E_RNA) where: Base-Base interactions energy: -684.004 where: short stacking energy: -265.577 Base-Backbone interact. energy: -1.837 local terms energy: -317.759480 where: bonds (distance) C4'-P energy: -60.953 bonds (distance) P-C4' energy: -66.486 flat angles C4'-P-C4' energy: -61.622 flat angles P-C4'-P energy: -50.051 tors. eta vs tors. theta energy: -78.647 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: 3, replica: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -983.024044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.024044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.024044 (E_RNA) where: Base-Base interactions energy: -651.869 where: short stacking energy: -279.792 Base-Backbone interact. energy: -1.142 local terms energy: -330.013113 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -62.907 flat angles C4'-P-C4' energy: -70.913 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: -91.581 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: 1 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -933.703627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.703627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.703627 (E_RNA) where: Base-Base interactions energy: -634.247 where: short stacking energy: -266.115 Base-Backbone interact. energy: -1.555 local terms energy: -297.901285 where: bonds (distance) C4'-P energy: -57.736 bonds (distance) P-C4' energy: -56.588 flat angles C4'-P-C4' energy: -68.654 flat angles P-C4'-P energy: -34.967 tors. eta vs tors. theta energy: -79.955 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: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -844.118422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.118422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.118422 (E_RNA) where: Base-Base interactions energy: -580.283 where: short stacking energy: -258.304 Base-Backbone interact. energy: -2.313 local terms energy: -261.521954 where: bonds (distance) C4'-P energy: -50.202 bonds (distance) P-C4' energy: -52.478 flat angles C4'-P-C4' energy: -58.247 flat angles P-C4'-P energy: -30.743 tors. eta vs tors. theta energy: -69.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -574.543848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.543848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.543848 (E_RNA) where: Base-Base interactions energy: -329.173 where: short stacking energy: -166.445 Base-Backbone interact. energy: -1.961 local terms energy: -243.409971 where: bonds (distance) C4'-P energy: -44.145 bonds (distance) P-C4' energy: -66.230 flat angles C4'-P-C4' energy: -59.257 flat angles P-C4'-P energy: -35.028 tors. eta vs tors. theta energy: -38.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -569.015299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.015299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.015299 (E_RNA) where: Base-Base interactions energy: -365.713 where: short stacking energy: -137.294 Base-Backbone interact. energy: -0.491 local terms energy: -202.811586 where: bonds (distance) C4'-P energy: -55.201 bonds (distance) P-C4' energy: -41.119 flat angles C4'-P-C4' energy: -48.199 flat angles P-C4'-P energy: -32.365 tors. eta vs tors. theta energy: -25.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -467.191414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.191414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.191414 (E_RNA) where: Base-Base interactions energy: -255.029 where: short stacking energy: -138.509 Base-Backbone interact. energy: -0.094 local terms energy: -212.067755 where: bonds (distance) C4'-P energy: -56.574 bonds (distance) P-C4' energy: -55.974 flat angles C4'-P-C4' energy: -52.740 flat angles P-C4'-P energy: -34.725 tors. eta vs tors. theta energy: -12.054 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: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -463.070978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.070978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.070978 (E_RNA) where: Base-Base interactions energy: -253.522 where: short stacking energy: -139.693 Base-Backbone interact. energy: 3.092 local terms energy: -212.640587 where: bonds (distance) C4'-P energy: -45.774 bonds (distance) P-C4' energy: -57.547 flat angles C4'-P-C4' energy: -57.651 flat angles P-C4'-P energy: -38.039 tors. eta vs tors. theta energy: -13.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -333.052022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.052022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.052022 (E_RNA) where: Base-Base interactions energy: -137.573 where: short stacking energy: -79.723 Base-Backbone interact. energy: -1.013 local terms energy: -194.466169 where: bonds (distance) C4'-P energy: -61.843 bonds (distance) P-C4' energy: -57.779 flat angles C4'-P-C4' energy: -57.759 flat angles P-C4'-P energy: -22.312 tors. eta vs tors. theta energy: 5.227 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: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1042.746200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.746200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.746200 (E_RNA) where: Base-Base interactions energy: -701.535 where: short stacking energy: -298.602 Base-Backbone interact. energy: 1.619 local terms energy: -342.829987 where: bonds (distance) C4'-P energy: -54.571 bonds (distance) P-C4' energy: -70.612 flat angles C4'-P-C4' energy: -75.832 flat angles P-C4'-P energy: -49.453 tors. eta vs tors. theta energy: -92.363 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: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1001.191958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.191958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.191958 (E_RNA) where: Base-Base interactions energy: -671.510 where: short stacking energy: -311.624 Base-Backbone interact. energy: -0.079 local terms energy: -329.603751 where: bonds (distance) C4'-P energy: -60.136 bonds (distance) P-C4' energy: -60.355 flat angles C4'-P-C4' energy: -68.036 flat angles P-C4'-P energy: -45.119 tors. eta vs tors. theta energy: -95.957 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: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -964.842843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.842843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.842843 (E_RNA) where: Base-Base interactions energy: -655.539 where: short stacking energy: -272.590 Base-Backbone interact. energy: -0.275 local terms energy: -309.029539 where: bonds (distance) C4'-P energy: -62.048 bonds (distance) P-C4' energy: -66.703 flat angles C4'-P-C4' energy: -67.826 flat angles P-C4'-P energy: -39.634 tors. eta vs tors. theta energy: -72.819 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: 4, replica: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -924.728301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.728301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.728301 (E_RNA) where: Base-Base interactions energy: -609.393 where: short stacking energy: -254.866 Base-Backbone interact. energy: 0.568 local terms energy: -315.903273 where: bonds (distance) C4'-P energy: -66.574 bonds (distance) P-C4' energy: -68.195 flat angles C4'-P-C4' energy: -65.364 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: -70.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -831.161472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.161472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.161472 (E_RNA) where: Base-Base interactions energy: -546.408 where: short stacking energy: -240.980 Base-Backbone interact. energy: -0.202 local terms energy: -284.551232 where: bonds (distance) C4'-P energy: -60.592 bonds (distance) P-C4' energy: -54.230 flat angles C4'-P-C4' energy: -63.077 flat angles P-C4'-P energy: -43.738 tors. eta vs tors. theta energy: -62.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -606.177974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.177974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.177974 (E_RNA) where: Base-Base interactions energy: -363.729 where: short stacking energy: -172.784 Base-Backbone interact. energy: -1.664 local terms energy: -240.784993 where: bonds (distance) C4'-P energy: -49.006 bonds (distance) P-C4' energy: -57.761 flat angles C4'-P-C4' energy: -58.861 flat angles P-C4'-P energy: -34.332 tors. eta vs tors. theta energy: -40.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -562.435869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.435869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.435869 (E_RNA) where: Base-Base interactions energy: -342.027 where: short stacking energy: -160.938 Base-Backbone interact. energy: -0.222 local terms energy: -220.186683 where: bonds (distance) C4'-P energy: -52.145 bonds (distance) P-C4' energy: -61.079 flat angles C4'-P-C4' energy: -53.373 flat angles P-C4'-P energy: -20.440 tors. eta vs tors. theta energy: -33.149 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: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -462.575449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.575449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.575449 (E_RNA) where: Base-Base interactions energy: -277.773 where: short stacking energy: -135.184 Base-Backbone interact. energy: 0.112 local terms energy: -184.914333 where: bonds (distance) C4'-P energy: -53.758 bonds (distance) P-C4' energy: -51.903 flat angles C4'-P-C4' energy: -46.554 flat angles P-C4'-P energy: -14.295 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: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -455.212248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.212248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.212248 (E_RNA) where: Base-Base interactions energy: -256.826 where: short stacking energy: -119.115 Base-Backbone interact. energy: -0.079 local terms energy: -198.306347 where: bonds (distance) C4'-P energy: -52.056 bonds (distance) P-C4' energy: -63.939 flat angles C4'-P-C4' energy: -49.272 flat angles P-C4'-P energy: -16.289 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: 3 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -331.112986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.112986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.112986 (E_RNA) where: Base-Base interactions energy: -162.412 where: short stacking energy: -84.064 Base-Backbone interact. energy: 2.443 local terms energy: -171.144381 where: bonds (distance) C4'-P energy: -51.163 bonds (distance) P-C4' energy: -58.282 flat angles C4'-P-C4' energy: -45.876 flat angles P-C4'-P energy: -19.957 tors. eta vs tors. theta energy: 4.134 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: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1024.413189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.413189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.413189 (E_RNA) where: Base-Base interactions energy: -693.319 where: short stacking energy: -302.187 Base-Backbone interact. energy: -1.891 local terms energy: -329.202311 where: bonds (distance) C4'-P energy: -62.907 bonds (distance) P-C4' energy: -63.476 flat angles C4'-P-C4' energy: -61.132 flat angles P-C4'-P energy: -51.524 tors. eta vs tors. theta energy: -90.163 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: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1029.048945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.048945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.048945 (E_RNA) where: Base-Base interactions energy: -696.802 where: short stacking energy: -283.210 Base-Backbone interact. energy: -1.682 local terms energy: -330.564697 where: bonds (distance) C4'-P energy: -56.195 bonds (distance) P-C4' energy: -59.873 flat angles C4'-P-C4' energy: -66.778 flat angles P-C4'-P energy: -51.266 tors. eta vs tors. theta energy: -96.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -961.306117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.306117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.306117 (E_RNA) where: Base-Base interactions energy: -666.248 where: short stacking energy: -270.612 Base-Backbone interact. energy: -0.764 local terms energy: -294.294049 where: bonds (distance) C4'-P energy: -60.312 bonds (distance) P-C4' energy: -54.076 flat angles C4'-P-C4' energy: -63.420 flat angles P-C4'-P energy: -41.653 tors. eta vs tors. theta energy: -74.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -906.486292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.486292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.486292 (E_RNA) where: Base-Base interactions energy: -603.796 where: short stacking energy: -262.443 Base-Backbone interact. energy: -1.925 local terms energy: -300.765261 where: bonds (distance) C4'-P energy: -61.723 bonds (distance) P-C4' energy: -62.376 flat angles C4'-P-C4' energy: -69.095 flat angles P-C4'-P energy: -38.681 tors. eta vs tors. theta energy: -68.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -845.480553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.480553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.480553 (E_RNA) where: Base-Base interactions energy: -550.259 where: short stacking energy: -257.968 Base-Backbone interact. energy: -0.026 local terms energy: -295.195067 where: bonds (distance) C4'-P energy: -54.917 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -70.108 flat angles P-C4'-P energy: -33.271 tors. eta vs tors. theta energy: -79.484 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: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -527.965583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.965583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.965583 (E_RNA) where: Base-Base interactions energy: -313.845 where: short stacking energy: -148.206 Base-Backbone interact. energy: -1.097 local terms energy: -213.023917 where: bonds (distance) C4'-P energy: -53.957 bonds (distance) P-C4' energy: -53.669 flat angles C4'-P-C4' energy: -58.148 flat angles P-C4'-P energy: -35.906 tors. eta vs tors. theta energy: -11.344 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: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -569.548094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.548094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.548094 (E_RNA) where: Base-Base interactions energy: -330.456 where: short stacking energy: -142.233 Base-Backbone interact. energy: -1.720 local terms energy: -237.372016 where: bonds (distance) C4'-P energy: -60.413 bonds (distance) P-C4' energy: -48.405 flat angles C4'-P-C4' energy: -62.306 flat angles P-C4'-P energy: -43.773 tors. eta vs tors. theta energy: -22.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -477.332847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.332847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.332847 (E_RNA) where: Base-Base interactions energy: -276.411 where: short stacking energy: -137.557 Base-Backbone interact. energy: -1.200 local terms energy: -199.721715 where: bonds (distance) C4'-P energy: -39.522 bonds (distance) P-C4' energy: -60.937 flat angles C4'-P-C4' energy: -55.261 flat angles P-C4'-P energy: -33.660 tors. eta vs tors. theta energy: -10.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -473.943257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.943257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.943257 (E_RNA) where: Base-Base interactions energy: -272.716 where: short stacking energy: -138.304 Base-Backbone interact. energy: -0.667 local terms energy: -200.560111 where: bonds (distance) C4'-P energy: -53.622 bonds (distance) P-C4' energy: -46.020 flat angles C4'-P-C4' energy: -58.557 flat angles P-C4'-P energy: -23.259 tors. eta vs tors. theta energy: -19.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -329.866509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.866509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.866509 (E_RNA) where: Base-Base interactions energy: -137.563 where: short stacking energy: -84.695 Base-Backbone interact. energy: 1.075 local terms energy: -193.378782 where: bonds (distance) C4'-P energy: -53.262 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -49.492 flat angles P-C4'-P energy: -31.287 tors. eta vs tors. theta energy: 3.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1035.957427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.957427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.957427 (E_RNA) where: Base-Base interactions energy: -693.958 where: short stacking energy: -318.127 Base-Backbone interact. energy: -1.944 local terms energy: -340.054860 where: bonds (distance) C4'-P energy: -65.508 bonds (distance) P-C4' energy: -58.584 flat angles C4'-P-C4' energy: -77.309 flat angles P-C4'-P energy: -42.925 tors. eta vs tors. theta energy: -95.728 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: 2, replica: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1002.050506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.050506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.050506 (E_RNA) where: Base-Base interactions energy: -678.344 where: short stacking energy: -264.045 Base-Backbone interact. energy: -1.107 local terms energy: -322.598733 where: bonds (distance) C4'-P energy: -62.924 bonds (distance) P-C4' energy: -69.275 flat angles C4'-P-C4' energy: -65.712 flat angles P-C4'-P energy: -46.212 tors. eta vs tors. theta energy: -78.476 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: 223 Temperature: 1.000000 Total energy: -959.042553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.042553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.042553 (E_RNA) where: Base-Base interactions energy: -645.520 where: short stacking energy: -269.839 Base-Backbone interact. energy: -1.332 local terms energy: -312.190548 where: bonds (distance) C4'-P energy: -60.710 bonds (distance) P-C4' energy: -62.916 flat angles C4'-P-C4' energy: -67.246 flat angles P-C4'-P energy: -43.762 tors. eta vs tors. theta energy: -77.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -937.352431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.352431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.352431 (E_RNA) where: Base-Base interactions energy: -640.876 where: short stacking energy: -269.702 Base-Backbone interact. energy: 0.682 local terms energy: -297.158498 where: bonds (distance) C4'-P energy: -59.120 bonds (distance) P-C4' energy: -60.674 flat angles C4'-P-C4' energy: -62.191 flat angles P-C4'-P energy: -37.082 tors. eta vs tors. theta energy: -78.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -883.788640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.788640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.788640 (E_RNA) where: Base-Base interactions energy: -575.694 where: short stacking energy: -251.839 Base-Backbone interact. energy: -0.411 local terms energy: -307.683912 where: bonds (distance) C4'-P energy: -55.943 bonds (distance) P-C4' energy: -66.177 flat angles C4'-P-C4' energy: -67.905 flat angles P-C4'-P energy: -38.646 tors. eta vs tors. theta energy: -79.013 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: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -550.736030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.736030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.736030 (E_RNA) where: Base-Base interactions energy: -311.943 where: short stacking energy: -154.685 Base-Backbone interact. energy: 0.088 local terms energy: -238.880616 where: bonds (distance) C4'-P energy: -56.724 bonds (distance) P-C4' energy: -60.128 flat angles C4'-P-C4' energy: -53.085 flat angles P-C4'-P energy: -36.709 tors. eta vs tors. theta energy: -32.235 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: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -543.595284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.595284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.595284 (E_RNA) where: Base-Base interactions energy: -299.092 where: short stacking energy: -146.844 Base-Backbone interact. energy: 0.437 local terms energy: -244.939938 where: bonds (distance) C4'-P energy: -55.739 bonds (distance) P-C4' energy: -65.743 flat angles C4'-P-C4' energy: -51.263 flat angles P-C4'-P energy: -41.495 tors. eta vs tors. theta energy: -30.699 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: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -477.020257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.020257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.020257 (E_RNA) where: Base-Base interactions energy: -267.508 where: short stacking energy: -132.378 Base-Backbone interact. energy: -0.466 local terms energy: -209.045437 where: bonds (distance) C4'-P energy: -62.850 bonds (distance) P-C4' energy: -60.336 flat angles C4'-P-C4' energy: -30.761 flat angles P-C4'-P energy: -34.953 tors. eta vs tors. theta energy: -20.145 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: 4 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -465.027812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.027812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.027812 (E_RNA) where: Base-Base interactions energy: -270.267 where: short stacking energy: -134.441 Base-Backbone interact. energy: -0.598 local terms energy: -194.163253 where: bonds (distance) C4'-P energy: -54.253 bonds (distance) P-C4' energy: -47.443 flat angles C4'-P-C4' energy: -57.897 flat angles P-C4'-P energy: -23.137 tors. eta vs tors. theta energy: -11.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -328.608549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.608549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.608549 (E_RNA) where: Base-Base interactions energy: -153.424 where: short stacking energy: -83.973 Base-Backbone interact. energy: -2.142 local terms energy: -173.042692 where: bonds (distance) C4'-P energy: -50.611 bonds (distance) P-C4' energy: -59.298 flat angles C4'-P-C4' energy: -43.764 flat angles P-C4'-P energy: -31.346 tors. eta vs tors. theta energy: 11.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1011.077378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.077378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.077378 (E_RNA) where: Base-Base interactions energy: -694.511 where: short stacking energy: -270.096 Base-Backbone interact. energy: -0.730 local terms energy: -315.835559 where: bonds (distance) C4'-P energy: -54.586 bonds (distance) P-C4' energy: -67.183 flat angles C4'-P-C4' energy: -70.578 flat angles P-C4'-P energy: -44.119 tors. eta vs tors. theta energy: -79.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1012.212781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.212781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.212781 (E_RNA) where: Base-Base interactions energy: -688.805 where: short stacking energy: -311.054 Base-Backbone interact. energy: -0.142 local terms energy: -323.265866 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -50.326 flat angles C4'-P-C4' energy: -69.339 flat angles P-C4'-P energy: -50.527 tors. eta vs tors. theta energy: -89.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -993.532275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.532275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.532275 (E_RNA) where: Base-Base interactions energy: -691.108 where: short stacking energy: -286.783 Base-Backbone interact. energy: -1.808 local terms energy: -300.616850 where: bonds (distance) C4'-P energy: -53.795 bonds (distance) P-C4' energy: -54.160 flat angles C4'-P-C4' energy: -61.258 flat angles P-C4'-P energy: -48.685 tors. eta vs tors. theta energy: -82.719 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: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -906.521352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.521352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.521352 (E_RNA) where: Base-Base interactions energy: -614.452 where: short stacking energy: -263.088 Base-Backbone interact. energy: -0.199 local terms energy: -291.869781 where: bonds (distance) C4'-P energy: -53.534 bonds (distance) P-C4' energy: -64.264 flat angles C4'-P-C4' energy: -61.018 flat angles P-C4'-P energy: -38.051 tors. eta vs tors. theta energy: -75.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -880.093941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.093941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.093941 (E_RNA) where: Base-Base interactions energy: -588.845 where: short stacking energy: -258.072 Base-Backbone interact. energy: -0.277 local terms energy: -290.972370 where: bonds (distance) C4'-P energy: -51.571 bonds (distance) P-C4' energy: -63.774 flat angles C4'-P-C4' energy: -61.187 flat angles P-C4'-P energy: -45.521 tors. eta vs tors. theta energy: -68.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -477.586956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.586956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.586956 (E_RNA) where: Base-Base interactions energy: -250.852 where: short stacking energy: -125.739 Base-Backbone interact. energy: -0.750 local terms energy: -225.984980 where: bonds (distance) C4'-P energy: -60.080 bonds (distance) P-C4' energy: -57.857 flat angles C4'-P-C4' energy: -50.491 flat angles P-C4'-P energy: -41.026 tors. eta vs tors. theta energy: -16.532 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: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -577.684793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.684793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.684793 (E_RNA) where: Base-Base interactions energy: -342.102 where: short stacking energy: -143.020 Base-Backbone interact. energy: 0.995 local terms energy: -236.577972 where: bonds (distance) C4'-P energy: -59.936 bonds (distance) P-C4' energy: -50.059 flat angles C4'-P-C4' energy: -60.367 flat angles P-C4'-P energy: -36.822 tors. eta vs tors. theta energy: -29.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -500.467907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.467907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.467907 (E_RNA) where: Base-Base interactions energy: -261.639 where: short stacking energy: -138.422 Base-Backbone interact. energy: 1.538 local terms energy: -240.367000 where: bonds (distance) C4'-P energy: -65.053 bonds (distance) P-C4' energy: -57.745 flat angles C4'-P-C4' energy: -61.053 flat angles P-C4'-P energy: -39.144 tors. eta vs tors. theta energy: -17.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -451.981025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.981025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.981025 (E_RNA) where: Base-Base interactions energy: -246.737 where: short stacking energy: -125.770 Base-Backbone interact. energy: -0.567 local terms energy: -204.676418 where: bonds (distance) C4'-P energy: -54.234 bonds (distance) P-C4' energy: -52.869 flat angles C4'-P-C4' energy: -60.578 flat angles P-C4'-P energy: -29.066 tors. eta vs tors. theta energy: -7.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -300.587304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.587304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.587304 (E_RNA) where: Base-Base interactions energy: -131.096 where: short stacking energy: -50.780 Base-Backbone interact. energy: -1.196 local terms energy: -168.295129 where: bonds (distance) C4'-P energy: -47.731 bonds (distance) P-C4' energy: -51.365 flat angles C4'-P-C4' energy: -40.248 flat angles P-C4'-P energy: -38.518 tors. eta vs tors. theta energy: 9.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1034.853338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.853338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.853338 (E_RNA) where: Base-Base interactions energy: -710.123 where: short stacking energy: -282.159 Base-Backbone interact. energy: -0.376 local terms energy: -324.354101 where: bonds (distance) C4'-P energy: -65.069 bonds (distance) P-C4' energy: -62.112 flat angles C4'-P-C4' energy: -70.676 flat angles P-C4'-P energy: -40.248 tors. eta vs tors. theta energy: -86.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1006.811428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.811428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.811428 (E_RNA) where: Base-Base interactions energy: -672.314 where: short stacking energy: -310.733 Base-Backbone interact. energy: -0.438 local terms energy: -334.059960 where: bonds (distance) C4'-P energy: -61.991 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -70.848 flat angles P-C4'-P energy: -45.041 tors. eta vs tors. theta energy: -94.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -955.249520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.249520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.249520 (E_RNA) where: Base-Base interactions energy: -637.869 where: short stacking energy: -277.860 Base-Backbone interact. energy: -1.614 local terms energy: -315.766733 where: bonds (distance) C4'-P energy: -52.743 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -64.183 flat angles P-C4'-P energy: -50.179 tors. eta vs tors. theta energy: -83.292 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: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -927.646597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.646597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.646597 (E_RNA) where: Base-Base interactions energy: -609.624 where: short stacking energy: -282.268 Base-Backbone interact. energy: -0.360 local terms energy: -317.662112 where: bonds (distance) C4'-P energy: -55.438 bonds (distance) P-C4' energy: -59.438 flat angles C4'-P-C4' energy: -69.155 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: -83.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -908.421170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.421170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.421170 (E_RNA) where: Base-Base interactions energy: -628.532 where: short stacking energy: -258.395 Base-Backbone interact. energy: -3.743 local terms energy: -276.145862 where: bonds (distance) C4'-P energy: -53.709 bonds (distance) P-C4' energy: -55.676 flat angles C4'-P-C4' energy: -54.613 flat angles P-C4'-P energy: -38.425 tors. eta vs tors. theta energy: -73.724 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: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -566.963235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.963235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.963235 (E_RNA) where: Base-Base interactions energy: -308.772 where: short stacking energy: -156.245 Base-Backbone interact. energy: -0.739 local terms energy: -257.452185 where: bonds (distance) C4'-P energy: -64.249 bonds (distance) P-C4' energy: -60.276 flat angles C4'-P-C4' energy: -56.863 flat angles P-C4'-P energy: -47.033 tors. eta vs tors. theta energy: -29.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -478.725811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.725811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.725811 (E_RNA) where: Base-Base interactions energy: -273.868 where: short stacking energy: -129.076 Base-Backbone interact. energy: -2.043 local terms energy: -202.814678 where: bonds (distance) C4'-P energy: -54.852 bonds (distance) P-C4' energy: -58.769 flat angles C4'-P-C4' energy: -55.317 flat angles P-C4'-P energy: -27.853 tors. eta vs tors. theta energy: -6.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -508.207118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.207118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.207118 (E_RNA) where: Base-Base interactions energy: -271.476 where: short stacking energy: -130.453 Base-Backbone interact. energy: -0.191 local terms energy: -236.540108 where: bonds (distance) C4'-P energy: -55.056 bonds (distance) P-C4' energy: -61.910 flat angles C4'-P-C4' energy: -51.683 flat angles P-C4'-P energy: -35.288 tors. eta vs tors. theta energy: -32.604 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: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -445.105170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.105170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.105170 (E_RNA) where: Base-Base interactions energy: -253.779 where: short stacking energy: -134.542 Base-Backbone interact. energy: 2.499 local terms energy: -193.825368 where: bonds (distance) C4'-P energy: -50.627 bonds (distance) P-C4' energy: -50.937 flat angles C4'-P-C4' energy: -40.796 flat angles P-C4'-P energy: -33.281 tors. eta vs tors. theta energy: -18.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -277.787224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.787224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.787224 (E_RNA) where: Base-Base interactions energy: -97.180 where: short stacking energy: -91.392 Base-Backbone interact. energy: -0.615 local terms energy: -179.993086 where: bonds (distance) C4'-P energy: -53.854 bonds (distance) P-C4' energy: -53.126 flat angles C4'-P-C4' energy: -40.555 flat angles P-C4'-P energy: -34.857 tors. eta vs tors. theta energy: 2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1059.788977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.788977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.788977 (E_RNA) where: Base-Base interactions energy: -732.387 where: short stacking energy: -301.508 Base-Backbone interact. energy: -0.845 local terms energy: -326.557121 where: bonds (distance) C4'-P energy: -60.123 bonds (distance) P-C4' energy: -60.344 flat angles C4'-P-C4' energy: -68.226 flat angles P-C4'-P energy: -46.725 tors. eta vs tors. theta energy: -91.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1011.022161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.022161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.022161 (E_RNA) where: Base-Base interactions energy: -678.368 where: short stacking energy: -291.628 Base-Backbone interact. energy: -1.556 local terms energy: -331.098024 where: bonds (distance) C4'-P energy: -58.660 bonds (distance) P-C4' energy: -63.189 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -46.417 tors. eta vs tors. theta energy: -91.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -970.696331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.696331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.696331 (E_RNA) where: Base-Base interactions energy: -667.713 where: short stacking energy: -264.103 Base-Backbone interact. energy: -1.745 local terms energy: -301.238592 where: bonds (distance) C4'-P energy: -54.409 bonds (distance) P-C4' energy: -59.356 flat angles C4'-P-C4' energy: -66.727 flat angles P-C4'-P energy: -39.204 tors. eta vs tors. theta energy: -81.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -918.435205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.435205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.435205 (E_RNA) where: Base-Base interactions energy: -610.313 where: short stacking energy: -270.289 Base-Backbone interact. energy: -0.543 local terms energy: -307.579467 where: bonds (distance) C4'-P energy: -60.494 bonds (distance) P-C4' energy: -55.272 flat angles C4'-P-C4' energy: -62.935 flat angles P-C4'-P energy: -38.119 tors. eta vs tors. theta energy: -90.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -925.665814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.665814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.665814 (E_RNA) where: Base-Base interactions energy: -614.342 where: short stacking energy: -251.248 Base-Backbone interact. energy: -1.969 local terms energy: -309.354476 where: bonds (distance) C4'-P energy: -59.001 bonds (distance) P-C4' energy: -70.926 flat angles C4'-P-C4' energy: -59.063 flat angles P-C4'-P energy: -40.710 tors. eta vs tors. theta energy: -79.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -592.340393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.340393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.340393 (E_RNA) where: Base-Base interactions energy: -344.735 where: short stacking energy: -180.271 Base-Backbone interact. energy: -0.210 local terms energy: -247.395333 where: bonds (distance) C4'-P energy: -59.699 bonds (distance) P-C4' energy: -64.419 flat angles C4'-P-C4' energy: -48.180 flat angles P-C4'-P energy: -35.431 tors. eta vs tors. theta energy: -39.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -537.714267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.714267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.714267 (E_RNA) where: Base-Base interactions energy: -309.776 where: short stacking energy: -152.591 Base-Backbone interact. energy: -1.438 local terms energy: -226.500508 where: bonds (distance) C4'-P energy: -46.007 bonds (distance) P-C4' energy: -53.890 flat angles C4'-P-C4' energy: -54.455 flat angles P-C4'-P energy: -39.077 tors. eta vs tors. theta energy: -33.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -423.648960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.648960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.648960 (E_RNA) where: Base-Base interactions energy: -214.324 where: short stacking energy: -118.467 Base-Backbone interact. energy: -0.043 local terms energy: -209.281370 where: bonds (distance) C4'-P energy: -54.783 bonds (distance) P-C4' energy: -58.831 flat angles C4'-P-C4' energy: -50.358 flat angles P-C4'-P energy: -27.246 tors. eta vs tors. theta energy: -18.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -469.453428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.453428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.453428 (E_RNA) where: Base-Base interactions energy: -272.895 where: short stacking energy: -146.910 Base-Backbone interact. energy: -0.215 local terms energy: -196.344005 where: bonds (distance) C4'-P energy: -49.434 bonds (distance) P-C4' energy: -47.806 flat angles C4'-P-C4' energy: -44.993 flat angles P-C4'-P energy: -30.715 tors. eta vs tors. theta energy: -23.396 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: 3 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -264.854858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.854858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.854858 (E_RNA) where: Base-Base interactions energy: -96.470 where: short stacking energy: -67.623 Base-Backbone interact. energy: -0.780 local terms energy: -167.604983 where: bonds (distance) C4'-P energy: -53.027 bonds (distance) P-C4' energy: -58.196 flat angles C4'-P-C4' energy: -43.362 flat angles P-C4'-P energy: -20.113 tors. eta vs tors. theta energy: 7.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1055.744582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.744582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.744582 (E_RNA) where: Base-Base interactions energy: -721.821 where: short stacking energy: -298.826 Base-Backbone interact. energy: -0.743 local terms energy: -333.180990 where: bonds (distance) C4'-P energy: -64.988 bonds (distance) P-C4' energy: -61.309 flat angles C4'-P-C4' energy: -69.438 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -93.393 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: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1018.792171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.792171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.792171 (E_RNA) where: Base-Base interactions energy: -674.133 where: short stacking energy: -308.345 Base-Backbone interact. energy: -2.552 local terms energy: -342.107870 where: bonds (distance) C4'-P energy: -60.778 bonds (distance) P-C4' energy: -58.864 flat angles C4'-P-C4' energy: -67.122 flat angles P-C4'-P energy: -47.211 tors. eta vs tors. theta energy: -108.132 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: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -984.663879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.663879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.663879 (E_RNA) where: Base-Base interactions energy: -673.357 where: short stacking energy: -256.294 Base-Backbone interact. energy: -1.896 local terms energy: -309.410883 where: bonds (distance) C4'-P energy: -54.921 bonds (distance) P-C4' energy: -65.347 flat angles C4'-P-C4' energy: -64.741 flat angles P-C4'-P energy: -41.842 tors. eta vs tors. theta energy: -82.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -921.820760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.820760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.820760 (E_RNA) where: Base-Base interactions energy: -632.201 where: short stacking energy: -265.530 Base-Backbone interact. energy: 2.968 local terms energy: -292.587256 where: bonds (distance) C4'-P energy: -59.893 bonds (distance) P-C4' energy: -59.119 flat angles C4'-P-C4' energy: -63.928 flat angles P-C4'-P energy: -34.714 tors. eta vs tors. theta energy: -74.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -902.394045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.394045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.394045 (E_RNA) where: Base-Base interactions energy: -603.819 where: short stacking energy: -240.272 Base-Backbone interact. energy: -0.118 local terms energy: -298.457244 where: bonds (distance) C4'-P energy: -53.872 bonds (distance) P-C4' energy: -56.665 flat angles C4'-P-C4' energy: -68.531 flat angles P-C4'-P energy: -47.576 tors. eta vs tors. theta energy: -71.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -580.548361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.548361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.548361 (E_RNA) where: Base-Base interactions energy: -345.772 where: short stacking energy: -173.636 Base-Backbone interact. energy: -1.113 local terms energy: -233.662497 where: bonds (distance) C4'-P energy: -53.369 bonds (distance) P-C4' energy: -54.269 flat angles C4'-P-C4' energy: -57.292 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: -30.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -529.213874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.213874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.213874 (E_RNA) where: Base-Base interactions energy: -277.561 where: short stacking energy: -142.416 Base-Backbone interact. energy: -1.745 local terms energy: -249.908396 where: bonds (distance) C4'-P energy: -55.967 bonds (distance) P-C4' energy: -60.421 flat angles C4'-P-C4' energy: -57.164 flat angles P-C4'-P energy: -42.022 tors. eta vs tors. theta energy: -34.335 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: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -487.460766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.460766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.460766 (E_RNA) where: Base-Base interactions energy: -266.284 where: short stacking energy: -136.306 Base-Backbone interact. energy: -0.623 local terms energy: -220.553675 where: bonds (distance) C4'-P energy: -47.282 bonds (distance) P-C4' energy: -57.480 flat angles C4'-P-C4' energy: -48.421 flat angles P-C4'-P energy: -39.413 tors. eta vs tors. theta energy: -27.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -401.491186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.491186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.491186 (E_RNA) where: Base-Base interactions energy: -204.979 where: short stacking energy: -106.262 Base-Backbone interact. energy: -1.839 local terms energy: -194.672565 where: bonds (distance) C4'-P energy: -50.817 bonds (distance) P-C4' energy: -60.840 flat angles C4'-P-C4' energy: -51.559 flat angles P-C4'-P energy: -24.973 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -260.386816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.386816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.386816 (E_RNA) where: Base-Base interactions energy: -101.744 where: short stacking energy: -80.948 Base-Backbone interact. energy: 2.286 local terms energy: -160.928979 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -54.147 flat angles C4'-P-C4' energy: -39.480 flat angles P-C4'-P energy: -16.262 tors. eta vs tors. theta energy: 7.658 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: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1058.496393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.496393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.496393 (E_RNA) where: Base-Base interactions energy: -701.719 where: short stacking energy: -306.568 Base-Backbone interact. energy: -3.452 local terms energy: -353.324918 where: bonds (distance) C4'-P energy: -61.087 bonds (distance) P-C4' energy: -69.390 flat angles C4'-P-C4' energy: -72.526 flat angles P-C4'-P energy: -50.271 tors. eta vs tors. theta energy: -100.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1051.018790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.018790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.018790 (E_RNA) where: Base-Base interactions energy: -722.348 where: short stacking energy: -291.921 Base-Backbone interact. energy: -0.737 local terms energy: -327.933764 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -50.938 flat angles C4'-P-C4' energy: -65.807 flat angles P-C4'-P energy: -46.335 tors. eta vs tors. theta energy: -95.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -975.559852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.559852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.559852 (E_RNA) where: Base-Base interactions energy: -660.459 where: short stacking energy: -273.131 Base-Backbone interact. energy: -1.632 local terms energy: -313.468375 where: bonds (distance) C4'-P energy: -63.156 bonds (distance) P-C4' energy: -65.042 flat angles C4'-P-C4' energy: -64.734 flat angles P-C4'-P energy: -43.583 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: 4, replica: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -946.750276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.750276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.750276 (E_RNA) where: Base-Base interactions energy: -621.625 where: short stacking energy: -294.236 Base-Backbone interact. energy: -0.349 local terms energy: -324.776909 where: bonds (distance) C4'-P energy: -61.657 bonds (distance) P-C4' energy: -56.816 flat angles C4'-P-C4' energy: -66.381 flat angles P-C4'-P energy: -50.165 tors. eta vs tors. theta energy: -89.757 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: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -902.465944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.465944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.465944 (E_RNA) where: Base-Base interactions energy: -604.629 where: short stacking energy: -243.981 Base-Backbone interact. energy: -0.040 local terms energy: -297.797162 where: bonds (distance) C4'-P energy: -57.587 bonds (distance) P-C4' energy: -60.396 flat angles C4'-P-C4' energy: -62.553 flat angles P-C4'-P energy: -41.376 tors. eta vs tors. theta energy: -75.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -560.241916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.241916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.241916 (E_RNA) where: Base-Base interactions energy: -333.646 where: short stacking energy: -168.433 Base-Backbone interact. energy: -1.327 local terms energy: -225.269343 where: bonds (distance) C4'-P energy: -40.227 bonds (distance) P-C4' energy: -59.320 flat angles C4'-P-C4' energy: -56.194 flat angles P-C4'-P energy: -36.795 tors. eta vs tors. theta energy: -32.732 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: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -534.416019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.416019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.416019 (E_RNA) where: Base-Base interactions energy: -301.373 where: short stacking energy: -150.058 Base-Backbone interact. energy: -0.761 local terms energy: -232.281367 where: bonds (distance) C4'-P energy: -52.989 bonds (distance) P-C4' energy: -47.353 flat angles C4'-P-C4' energy: -60.865 flat angles P-C4'-P energy: -46.429 tors. eta vs tors. theta energy: -24.646 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: 4 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -494.108840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.108840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.108840 (E_RNA) where: Base-Base interactions energy: -269.962 where: short stacking energy: -127.769 Base-Backbone interact. energy: -1.589 local terms energy: -222.557929 where: bonds (distance) C4'-P energy: -54.460 bonds (distance) P-C4' energy: -55.532 flat angles C4'-P-C4' energy: -61.656 flat angles P-C4'-P energy: -27.612 tors. eta vs tors. theta energy: -23.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -407.542332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.542332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.542332 (E_RNA) where: Base-Base interactions energy: -203.224 where: short stacking energy: -89.117 Base-Backbone interact. energy: -0.415 local terms energy: -203.903441 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -49.439 flat angles C4'-P-C4' energy: -50.140 flat angles P-C4'-P energy: -38.766 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -274.943920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.943920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.943920 (E_RNA) where: Base-Base interactions energy: -102.848 where: short stacking energy: -89.440 Base-Backbone interact. energy: 0.462 local terms energy: -172.558023 where: bonds (distance) C4'-P energy: -50.035 bonds (distance) P-C4' energy: -56.805 flat angles C4'-P-C4' energy: -47.957 flat angles P-C4'-P energy: -19.325 tors. eta vs tors. theta energy: 1.564 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: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1040.103347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.103347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.103347 (E_RNA) where: Base-Base interactions energy: -700.082 where: short stacking energy: -305.095 Base-Backbone interact. energy: -0.776 local terms energy: -339.245335 where: bonds (distance) C4'-P energy: -64.121 bonds (distance) P-C4' energy: -62.344 flat angles C4'-P-C4' energy: -74.984 flat angles P-C4'-P energy: -49.266 tors. eta vs tors. theta energy: -88.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1059.062385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.062385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.062385 (E_RNA) where: Base-Base interactions energy: -718.398 where: short stacking energy: -303.436 Base-Backbone interact. energy: 2.591 local terms energy: -343.255455 where: bonds (distance) C4'-P energy: -62.275 bonds (distance) P-C4' energy: -67.425 flat angles C4'-P-C4' energy: -64.578 flat angles P-C4'-P energy: -43.168 tors. eta vs tors. theta energy: -105.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -974.258396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.258396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.258396 (E_RNA) where: Base-Base interactions energy: -671.116 where: short stacking energy: -262.083 Base-Backbone interact. energy: -0.290 local terms energy: -302.852460 where: bonds (distance) C4'-P energy: -72.871 bonds (distance) P-C4' energy: -52.182 flat angles C4'-P-C4' energy: -70.193 flat angles P-C4'-P energy: -41.496 tors. eta vs tors. theta energy: -66.111 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: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -955.871508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.871508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.871508 (E_RNA) where: Base-Base interactions energy: -635.495 where: short stacking energy: -285.283 Base-Backbone interact. energy: 0.358 local terms energy: -320.733875 where: bonds (distance) C4'-P energy: -60.989 bonds (distance) P-C4' energy: -56.170 flat angles C4'-P-C4' energy: -68.318 flat angles P-C4'-P energy: -49.095 tors. eta vs tors. theta energy: -86.162 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: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -863.029082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.029082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.029082 (E_RNA) where: Base-Base interactions energy: -593.998 where: short stacking energy: -256.755 Base-Backbone interact. energy: -1.584 local terms energy: -267.447135 where: bonds (distance) C4'-P energy: -49.989 bonds (distance) P-C4' energy: -38.194 flat angles C4'-P-C4' energy: -72.086 flat angles P-C4'-P energy: -38.619 tors. eta vs tors. theta energy: -68.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -532.120468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.120468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.120468 (E_RNA) where: Base-Base interactions energy: -287.680 where: short stacking energy: -157.368 Base-Backbone interact. energy: -1.188 local terms energy: -243.252229 where: bonds (distance) C4'-P energy: -53.248 bonds (distance) P-C4' energy: -58.149 flat angles C4'-P-C4' energy: -62.089 flat angles P-C4'-P energy: -40.936 tors. eta vs tors. theta energy: -28.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -520.548698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.548698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.548698 (E_RNA) where: Base-Base interactions energy: -316.750 where: short stacking energy: -146.745 Base-Backbone interact. energy: 0.937 local terms energy: -204.735481 where: bonds (distance) C4'-P energy: -51.366 bonds (distance) P-C4' energy: -62.031 flat angles C4'-P-C4' energy: -53.196 flat angles P-C4'-P energy: -25.134 tors. eta vs tors. theta energy: -13.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -478.466738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.466738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.466738 (E_RNA) where: Base-Base interactions energy: -274.531 where: short stacking energy: -148.081 Base-Backbone interact. energy: -1.111 local terms energy: -202.824819 where: bonds (distance) C4'-P energy: -44.401 bonds (distance) P-C4' energy: -58.553 flat angles C4'-P-C4' energy: -48.717 flat angles P-C4'-P energy: -27.785 tors. eta vs tors. theta energy: -23.369 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: 9, replica: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -345.106561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.106561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.106561 (E_RNA) where: Base-Base interactions energy: -170.769 where: short stacking energy: -100.168 Base-Backbone interact. energy: 3.103 local terms energy: -177.439782 where: bonds (distance) C4'-P energy: -58.022 bonds (distance) P-C4' energy: -50.295 flat angles C4'-P-C4' energy: -53.617 flat angles P-C4'-P energy: -27.151 tors. eta vs tors. theta energy: 11.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -276.368272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.368272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.368272 (E_RNA) where: Base-Base interactions energy: -88.911 where: short stacking energy: -64.402 Base-Backbone interact. energy: -0.792 local terms energy: -186.665000 where: bonds (distance) C4'-P energy: -56.413 bonds (distance) P-C4' energy: -57.702 flat angles C4'-P-C4' energy: -44.359 flat angles P-C4'-P energy: -27.671 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: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1054.110196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.110196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.110196 (E_RNA) where: Base-Base interactions energy: -708.502 where: short stacking energy: -292.362 Base-Backbone interact. energy: -0.869 local terms energy: -344.738893 where: bonds (distance) C4'-P energy: -61.613 bonds (distance) P-C4' energy: -67.343 flat angles C4'-P-C4' energy: -69.176 flat angles P-C4'-P energy: -53.226 tors. eta vs tors. theta energy: -93.380 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: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -994.794416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.794416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.794416 (E_RNA) where: Base-Base interactions energy: -660.610 where: short stacking energy: -285.459 Base-Backbone interact. energy: -0.774 local terms energy: -333.410820 where: bonds (distance) C4'-P energy: -62.527 bonds (distance) P-C4' energy: -58.769 flat angles C4'-P-C4' energy: -73.212 flat angles P-C4'-P energy: -54.846 tors. eta vs tors. theta energy: -84.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -984.187625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.187625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.187625 (E_RNA) where: Base-Base interactions energy: -675.555 where: short stacking energy: -283.285 Base-Backbone interact. energy: 0.697 local terms energy: -309.330301 where: bonds (distance) C4'-P energy: -57.021 bonds (distance) P-C4' energy: -56.632 flat angles C4'-P-C4' energy: -73.224 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -76.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -908.907733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.907733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.907733 (E_RNA) where: Base-Base interactions energy: -588.924 where: short stacking energy: -271.692 Base-Backbone interact. energy: 1.751 local terms energy: -321.734130 where: bonds (distance) C4'-P energy: -61.168 bonds (distance) P-C4' energy: -64.279 flat angles C4'-P-C4' energy: -60.297 flat angles P-C4'-P energy: -56.015 tors. eta vs tors. theta energy: -79.976 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: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -880.483769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.483769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.483769 (E_RNA) where: Base-Base interactions energy: -581.385 where: short stacking energy: -242.069 Base-Backbone interact. energy: 1.641 local terms energy: -300.739464 where: bonds (distance) C4'-P energy: -59.694 bonds (distance) P-C4' energy: -59.686 flat angles C4'-P-C4' energy: -63.619 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -71.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -524.459253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.459253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.459253 (E_RNA) where: Base-Base interactions energy: -296.510 where: short stacking energy: -160.399 Base-Backbone interact. energy: 0.274 local terms energy: -228.223410 where: bonds (distance) C4'-P energy: -46.769 bonds (distance) P-C4' energy: -68.927 flat angles C4'-P-C4' energy: -56.784 flat angles P-C4'-P energy: -25.787 tors. eta vs tors. theta energy: -29.956 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: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -515.902139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.902139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.902139 (E_RNA) where: Base-Base interactions energy: -302.208 where: short stacking energy: -145.845 Base-Backbone interact. energy: -2.212 local terms energy: -211.482161 where: bonds (distance) C4'-P energy: -63.602 bonds (distance) P-C4' energy: -48.394 flat angles C4'-P-C4' energy: -42.578 flat angles P-C4'-P energy: -31.108 tors. eta vs tors. theta energy: -25.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -548.525032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.525032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.525032 (E_RNA) where: Base-Base interactions energy: -307.565 where: short stacking energy: -161.810 Base-Backbone interact. energy: 1.668 local terms energy: -242.628513 where: bonds (distance) C4'-P energy: -56.065 bonds (distance) P-C4' energy: -61.303 flat angles C4'-P-C4' energy: -48.090 flat angles P-C4'-P energy: -44.704 tors. eta vs tors. theta energy: -32.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -345.440810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.440810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.440810 (E_RNA) where: Base-Base interactions energy: -177.448 where: short stacking energy: -106.122 Base-Backbone interact. energy: -0.077 local terms energy: -167.916165 where: bonds (distance) C4'-P energy: -47.352 bonds (distance) P-C4' energy: -48.747 flat angles C4'-P-C4' energy: -42.211 flat angles P-C4'-P energy: -21.555 tors. eta vs tors. theta energy: -8.051 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: 10, replica: 3 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -302.409072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.409072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.409072 (E_RNA) where: Base-Base interactions energy: -125.961 where: short stacking energy: -80.157 Base-Backbone interact. energy: -2.300 local terms energy: -174.147652 where: bonds (distance) C4'-P energy: -46.886 bonds (distance) P-C4' energy: -61.963 flat angles C4'-P-C4' energy: -40.213 flat angles P-C4'-P energy: -24.697 tors. eta vs tors. theta energy: -0.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1049.604469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.604469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.604469 (E_RNA) where: Base-Base interactions energy: -709.839 where: short stacking energy: -305.630 Base-Backbone interact. energy: -0.410 local terms energy: -339.355409 where: bonds (distance) C4'-P energy: -62.752 bonds (distance) P-C4' energy: -64.647 flat angles C4'-P-C4' energy: -69.308 flat angles P-C4'-P energy: -45.970 tors. eta vs tors. theta energy: -96.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1022.855085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.855085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.855085 (E_RNA) where: Base-Base interactions energy: -681.503 where: short stacking energy: -312.782 Base-Backbone interact. energy: -0.265 local terms energy: -341.086762 where: bonds (distance) C4'-P energy: -57.461 bonds (distance) P-C4' energy: -60.291 flat angles C4'-P-C4' energy: -72.606 flat angles P-C4'-P energy: -47.390 tors. eta vs tors. theta energy: -103.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -977.915569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.915569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.915569 (E_RNA) where: Base-Base interactions energy: -667.620 where: short stacking energy: -259.440 Base-Backbone interact. energy: -0.431 local terms energy: -309.865264 where: bonds (distance) C4'-P energy: -55.644 bonds (distance) P-C4' energy: -62.670 flat angles C4'-P-C4' energy: -63.322 flat angles P-C4'-P energy: -48.896 tors. eta vs tors. theta energy: -79.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -934.671308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.671308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.671308 (E_RNA) where: Base-Base interactions energy: -622.195 where: short stacking energy: -269.953 Base-Backbone interact. energy: -0.470 local terms energy: -312.006785 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -67.439 flat angles C4'-P-C4' energy: -62.262 flat angles P-C4'-P energy: -42.602 tors. eta vs tors. theta energy: -88.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -870.594610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.594610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.594610 (E_RNA) where: Base-Base interactions energy: -576.483 where: short stacking energy: -245.033 Base-Backbone interact. energy: -1.497 local terms energy: -292.615055 where: bonds (distance) C4'-P energy: -59.955 bonds (distance) P-C4' energy: -48.221 flat angles C4'-P-C4' energy: -65.005 flat angles P-C4'-P energy: -46.066 tors. eta vs tors. theta energy: -73.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -537.585773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.585773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.585773 (E_RNA) where: Base-Base interactions energy: -284.470 where: short stacking energy: -157.727 Base-Backbone interact. energy: -0.686 local terms energy: -252.429578 where: bonds (distance) C4'-P energy: -59.267 bonds (distance) P-C4' energy: -59.455 flat angles C4'-P-C4' energy: -49.342 flat angles P-C4'-P energy: -43.621 tors. eta vs tors. theta energy: -40.745 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: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -498.945077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.945077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.945077 (E_RNA) where: Base-Base interactions energy: -272.007 where: short stacking energy: -115.828 Base-Backbone interact. energy: -1.489 local terms energy: -225.449368 where: bonds (distance) C4'-P energy: -53.907 bonds (distance) P-C4' energy: -55.054 flat angles C4'-P-C4' energy: -56.184 flat angles P-C4'-P energy: -35.881 tors. eta vs tors. theta energy: -24.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -515.906448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.906448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.906448 (E_RNA) where: Base-Base interactions energy: -270.727 where: short stacking energy: -144.020 Base-Backbone interact. energy: -0.955 local terms energy: -244.224761 where: bonds (distance) C4'-P energy: -63.103 bonds (distance) P-C4' energy: -69.286 flat angles C4'-P-C4' energy: -63.170 flat angles P-C4'-P energy: -26.436 tors. eta vs tors. theta energy: -22.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -343.108975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.108975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.108975 (E_RNA) where: Base-Base interactions energy: -154.684 where: short stacking energy: -95.463 Base-Backbone interact. energy: -1.617 local terms energy: -186.807080 where: bonds (distance) C4'-P energy: -44.710 bonds (distance) P-C4' energy: -54.830 flat angles C4'-P-C4' energy: -54.338 flat angles P-C4'-P energy: -35.323 tors. eta vs tors. theta energy: 2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -260.176922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.176922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.176922 (E_RNA) where: Base-Base interactions energy: -84.753 where: short stacking energy: -66.141 Base-Backbone interact. energy: -0.842 local terms energy: -174.581444 where: bonds (distance) C4'-P energy: -58.198 bonds (distance) P-C4' energy: -56.831 flat angles C4'-P-C4' energy: -31.727 flat angles P-C4'-P energy: -30.464 tors. eta vs tors. theta energy: 2.639 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: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1045.207747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.207747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.207747 (E_RNA) where: Base-Base interactions energy: -703.996 where: short stacking energy: -297.895 Base-Backbone interact. energy: -0.346 local terms energy: -340.866002 where: bonds (distance) C4'-P energy: -59.111 bonds (distance) P-C4' energy: -56.994 flat angles C4'-P-C4' energy: -73.608 flat angles P-C4'-P energy: -50.549 tors. eta vs tors. theta energy: -100.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -991.702009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.702009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.702009 (E_RNA) where: Base-Base interactions energy: -660.070 where: short stacking energy: -286.849 Base-Backbone interact. energy: -0.942 local terms energy: -330.689969 where: bonds (distance) C4'-P energy: -58.401 bonds (distance) P-C4' energy: -60.738 flat angles C4'-P-C4' energy: -76.241 flat angles P-C4'-P energy: -39.848 tors. eta vs tors. theta energy: -95.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -984.823610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.823610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.823610 (E_RNA) where: Base-Base interactions energy: -686.889 where: short stacking energy: -275.474 Base-Backbone interact. energy: -1.394 local terms energy: -296.541015 where: bonds (distance) C4'-P energy: -49.122 bonds (distance) P-C4' energy: -58.954 flat angles C4'-P-C4' energy: -70.244 flat angles P-C4'-P energy: -41.913 tors. eta vs tors. theta energy: -76.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -962.624995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.624995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.624995 (E_RNA) where: Base-Base interactions energy: -637.953 where: short stacking energy: -290.690 Base-Backbone interact. energy: -1.419 local terms energy: -323.252844 where: bonds (distance) C4'-P energy: -45.538 bonds (distance) P-C4' energy: -64.151 flat angles C4'-P-C4' energy: -72.532 flat angles P-C4'-P energy: -48.274 tors. eta vs tors. theta energy: -92.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -889.134665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.134665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.134665 (E_RNA) where: Base-Base interactions energy: -576.504 where: short stacking energy: -236.392 Base-Backbone interact. energy: -1.386 local terms energy: -311.244637 where: bonds (distance) C4'-P energy: -60.570 bonds (distance) P-C4' energy: -66.589 flat angles C4'-P-C4' energy: -60.449 flat angles P-C4'-P energy: -52.555 tors. eta vs tors. theta energy: -71.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -546.569108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.569108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.569108 (E_RNA) where: Base-Base interactions energy: -315.881 where: short stacking energy: -156.942 Base-Backbone interact. energy: -1.371 local terms energy: -229.317070 where: bonds (distance) C4'-P energy: -51.678 bonds (distance) P-C4' energy: -60.818 flat angles C4'-P-C4' energy: -54.426 flat angles P-C4'-P energy: -36.893 tors. eta vs tors. theta energy: -25.502 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: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -517.291268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.291268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.291268 (E_RNA) where: Base-Base interactions energy: -308.605 where: short stacking energy: -140.389 Base-Backbone interact. energy: -0.812 local terms energy: -207.874015 where: bonds (distance) C4'-P energy: -38.640 bonds (distance) P-C4' energy: -55.906 flat angles C4'-P-C4' energy: -57.340 flat angles P-C4'-P energy: -39.246 tors. eta vs tors. theta energy: -16.741 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: 8, replica: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -488.981851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.981851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.981851 (E_RNA) where: Base-Base interactions energy: -256.976 where: short stacking energy: -142.043 Base-Backbone interact. energy: 2.091 local terms energy: -234.097070 where: bonds (distance) C4'-P energy: -54.710 bonds (distance) P-C4' energy: -57.076 flat angles C4'-P-C4' energy: -56.302 flat angles P-C4'-P energy: -33.394 tors. eta vs tors. theta energy: -32.614 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: 2 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -337.021830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.021830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.021830 (E_RNA) where: Base-Base interactions energy: -144.354 where: short stacking energy: -100.202 Base-Backbone interact. energy: 2.060 local terms energy: -194.728196 where: bonds (distance) C4'-P energy: -64.906 bonds (distance) P-C4' energy: -54.270 flat angles C4'-P-C4' energy: -45.093 flat angles P-C4'-P energy: -20.705 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -263.704381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.704381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.704381 (E_RNA) where: Base-Base interactions energy: -94.012 where: short stacking energy: -74.461 Base-Backbone interact. energy: -1.017 local terms energy: -168.674924 where: bonds (distance) C4'-P energy: -50.646 bonds (distance) P-C4' energy: -59.237 flat angles C4'-P-C4' energy: -44.722 flat angles P-C4'-P energy: -31.405 tors. eta vs tors. theta energy: 17.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1038.569307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.569307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.569307 (E_RNA) where: Base-Base interactions energy: -691.830 where: short stacking energy: -289.434 Base-Backbone interact. energy: -0.514 local terms energy: -346.225230 where: bonds (distance) C4'-P energy: -64.687 bonds (distance) P-C4' energy: -67.827 flat angles C4'-P-C4' energy: -72.083 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -89.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1026.105399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.105399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.105399 (E_RNA) where: Base-Base interactions energy: -685.421 where: short stacking energy: -304.718 Base-Backbone interact. energy: -0.678 local terms energy: -340.007152 where: bonds (distance) C4'-P energy: -58.588 bonds (distance) P-C4' energy: -70.665 flat angles C4'-P-C4' energy: -72.555 flat angles P-C4'-P energy: -40.966 tors. eta vs tors. theta energy: -97.233 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: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -967.948009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.948009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.948009 (E_RNA) where: Base-Base interactions energy: -655.640 where: short stacking energy: -253.842 Base-Backbone interact. energy: -1.030 local terms energy: -311.277709 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -63.513 flat angles C4'-P-C4' energy: -75.042 flat angles P-C4'-P energy: -40.597 tors. eta vs tors. theta energy: -79.396 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: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -938.978830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.978830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.978830 (E_RNA) where: Base-Base interactions energy: -622.441 where: short stacking energy: -270.420 Base-Backbone interact. energy: -0.447 local terms energy: -316.090369 where: bonds (distance) C4'-P energy: -58.435 bonds (distance) P-C4' energy: -60.714 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -42.681 tors. eta vs tors. theta energy: -87.049 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: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -882.795471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.795471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.795471 (E_RNA) where: Base-Base interactions energy: -589.758 where: short stacking energy: -267.029 Base-Backbone interact. energy: -1.288 local terms energy: -291.749315 where: bonds (distance) C4'-P energy: -51.909 bonds (distance) P-C4' energy: -52.773 flat angles C4'-P-C4' energy: -62.321 flat angles P-C4'-P energy: -41.576 tors. eta vs tors. theta energy: -83.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -571.400262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.400262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.400262 (E_RNA) where: Base-Base interactions energy: -328.914 where: short stacking energy: -153.092 Base-Backbone interact. energy: -2.643 local terms energy: -239.843828 where: bonds (distance) C4'-P energy: -57.395 bonds (distance) P-C4' energy: -56.899 flat angles C4'-P-C4' energy: -62.586 flat angles P-C4'-P energy: -34.275 tors. eta vs tors. theta energy: -28.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -515.095681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.095681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.095681 (E_RNA) where: Base-Base interactions energy: -281.179 where: short stacking energy: -148.677 Base-Backbone interact. energy: -1.479 local terms energy: -232.437949 where: bonds (distance) C4'-P energy: -57.811 bonds (distance) P-C4' energy: -62.078 flat angles C4'-P-C4' energy: -53.419 flat angles P-C4'-P energy: -30.517 tors. eta vs tors. theta energy: -28.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -494.962468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.962468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.962468 (E_RNA) where: Base-Base interactions energy: -265.732 where: short stacking energy: -118.538 Base-Backbone interact. energy: -2.929 local terms energy: -226.300845 where: bonds (distance) C4'-P energy: -69.036 bonds (distance) P-C4' energy: -61.559 flat angles C4'-P-C4' energy: -45.253 flat angles P-C4'-P energy: -37.625 tors. eta vs tors. theta energy: -12.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -355.386420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.386420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.386420 (E_RNA) where: Base-Base interactions energy: -169.339 where: short stacking energy: -78.818 Base-Backbone interact. energy: 2.399 local terms energy: -188.446743 where: bonds (distance) C4'-P energy: -50.485 bonds (distance) P-C4' energy: -51.141 flat angles C4'-P-C4' energy: -56.136 flat angles P-C4'-P energy: -38.415 tors. eta vs tors. theta energy: 7.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -255.118288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.118288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.118288 (E_RNA) where: Base-Base interactions energy: -100.131 where: short stacking energy: -83.638 Base-Backbone interact. energy: -1.468 local terms energy: -153.519013 where: bonds (distance) C4'-P energy: -48.686 bonds (distance) P-C4' energy: -48.671 flat angles C4'-P-C4' energy: -43.098 flat angles P-C4'-P energy: -10.958 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1048.431812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.431812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.431812 (E_RNA) where: Base-Base interactions energy: -710.865 where: short stacking energy: -301.461 Base-Backbone interact. energy: -2.132 local terms energy: -335.434112 where: bonds (distance) C4'-P energy: -62.469 bonds (distance) P-C4' energy: -60.679 flat angles C4'-P-C4' energy: -72.306 flat angles P-C4'-P energy: -46.142 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: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1020.538660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.538660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.538660 (E_RNA) where: Base-Base interactions energy: -685.806 where: short stacking energy: -303.385 Base-Backbone interact. energy: -0.046 local terms energy: -334.687326 where: bonds (distance) C4'-P energy: -71.999 bonds (distance) P-C4' energy: -59.525 flat angles C4'-P-C4' energy: -64.037 flat angles P-C4'-P energy: -40.862 tors. eta vs tors. theta energy: -98.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -995.747541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.747541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.747541 (E_RNA) where: Base-Base interactions energy: -665.646 where: short stacking energy: -268.337 Base-Backbone interact. energy: 0.479 local terms energy: -330.580972 where: bonds (distance) C4'-P energy: -62.084 bonds (distance) P-C4' energy: -63.670 flat angles C4'-P-C4' energy: -63.941 flat angles P-C4'-P energy: -52.879 tors. eta vs tors. theta energy: -88.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -947.066373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.066373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.066373 (E_RNA) where: Base-Base interactions energy: -630.487 where: short stacking energy: -294.263 Base-Backbone interact. energy: -1.794 local terms energy: -314.785168 where: bonds (distance) C4'-P energy: -54.980 bonds (distance) P-C4' energy: -58.227 flat angles C4'-P-C4' energy: -75.726 flat angles P-C4'-P energy: -36.000 tors. eta vs tors. theta energy: -89.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -878.609843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.609843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.609843 (E_RNA) where: Base-Base interactions energy: -591.301 where: short stacking energy: -254.486 Base-Backbone interact. energy: -1.597 local terms energy: -285.710934 where: bonds (distance) C4'-P energy: -53.658 bonds (distance) P-C4' energy: -57.903 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -32.299 tors. eta vs tors. theta energy: -74.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -586.746820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.746820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.746820 (E_RNA) where: Base-Base interactions energy: -335.282 where: short stacking energy: -159.729 Base-Backbone interact. energy: 0.767 local terms energy: -252.231787 where: bonds (distance) C4'-P energy: -60.928 bonds (distance) P-C4' energy: -59.419 flat angles C4'-P-C4' energy: -55.796 flat angles P-C4'-P energy: -39.522 tors. eta vs tors. theta energy: -36.567 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: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -567.652881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.652881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.652881 (E_RNA) where: Base-Base interactions energy: -312.390 where: short stacking energy: -162.563 Base-Backbone interact. energy: 0.245 local terms energy: -255.507988 where: bonds (distance) C4'-P energy: -54.512 bonds (distance) P-C4' energy: -73.876 flat angles C4'-P-C4' energy: -53.693 flat angles P-C4'-P energy: -38.366 tors. eta vs tors. theta energy: -35.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -472.213671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.213671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.213671 (E_RNA) where: Base-Base interactions energy: -248.570 where: short stacking energy: -133.072 Base-Backbone interact. energy: 0.090 local terms energy: -223.733659 where: bonds (distance) C4'-P energy: -57.409 bonds (distance) P-C4' energy: -61.934 flat angles C4'-P-C4' energy: -53.112 flat angles P-C4'-P energy: -30.105 tors. eta vs tors. theta energy: -21.173 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: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -323.300205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.300205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.300205 (E_RNA) where: Base-Base interactions energy: -146.207 where: short stacking energy: -94.332 Base-Backbone interact. energy: -1.114 local terms energy: -175.979154 where: bonds (distance) C4'-P energy: -51.419 bonds (distance) P-C4' energy: -49.853 flat angles C4'-P-C4' energy: -50.191 flat angles P-C4'-P energy: -21.998 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -276.358674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.358674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.358674 (E_RNA) where: Base-Base interactions energy: -129.130 where: short stacking energy: -88.463 Base-Backbone interact. energy: -2.014 local terms energy: -145.214243 where: bonds (distance) C4'-P energy: -45.819 bonds (distance) P-C4' energy: -52.291 flat angles C4'-P-C4' energy: -48.315 flat angles P-C4'-P energy: -11.260 tors. eta vs tors. theta energy: 12.471 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: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1040.618929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.618929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.618929 (E_RNA) where: Base-Base interactions energy: -699.921 where: short stacking energy: -287.595 Base-Backbone interact. energy: -1.407 local terms energy: -339.291702 where: bonds (distance) C4'-P energy: -64.514 bonds (distance) P-C4' energy: -74.089 flat angles C4'-P-C4' energy: -68.247 flat angles P-C4'-P energy: -43.802 tors. eta vs tors. theta energy: -88.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1008.546887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.546887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.546887 (E_RNA) where: Base-Base interactions energy: -702.477 where: short stacking energy: -267.214 Base-Backbone interact. energy: 2.616 local terms energy: -308.685938 where: bonds (distance) C4'-P energy: -51.948 bonds (distance) P-C4' energy: -55.606 flat angles C4'-P-C4' energy: -63.872 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -81.582 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: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -980.761051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.761051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.761051 (E_RNA) where: Base-Base interactions energy: -646.766 where: short stacking energy: -281.649 Base-Backbone interact. energy: -1.246 local terms energy: -332.749330 where: bonds (distance) C4'-P energy: -61.402 bonds (distance) P-C4' energy: -60.639 flat angles C4'-P-C4' energy: -71.174 flat angles P-C4'-P energy: -46.149 tors. eta vs tors. theta energy: -93.385 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: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -894.997857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.997857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.997857 (E_RNA) where: Base-Base interactions energy: -587.178 where: short stacking energy: -268.744 Base-Backbone interact. energy: 0.063 local terms energy: -307.882828 where: bonds (distance) C4'-P energy: -57.173 bonds (distance) P-C4' energy: -57.767 flat angles C4'-P-C4' energy: -66.533 flat angles P-C4'-P energy: -44.738 tors. eta vs tors. theta energy: -81.672 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: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -932.580970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.580970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.580970 (E_RNA) where: Base-Base interactions energy: -618.518 where: short stacking energy: -275.130 Base-Backbone interact. energy: -0.389 local terms energy: -313.673381 where: bonds (distance) C4'-P energy: -52.339 bonds (distance) P-C4' energy: -53.214 flat angles C4'-P-C4' energy: -73.742 flat angles P-C4'-P energy: -48.533 tors. eta vs tors. theta energy: -85.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -632.758932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.758932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.758932 (E_RNA) where: Base-Base interactions energy: -375.547 where: short stacking energy: -173.267 Base-Backbone interact. energy: -1.332 local terms energy: -255.879700 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -63.411 flat angles C4'-P-C4' energy: -45.707 flat angles P-C4'-P energy: -37.020 tors. eta vs tors. theta energy: -43.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -540.562278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.562278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.562278 (E_RNA) where: Base-Base interactions energy: -302.881 where: short stacking energy: -126.143 Base-Backbone interact. energy: -2.031 local terms energy: -235.651132 where: bonds (distance) C4'-P energy: -63.634 bonds (distance) P-C4' energy: -64.592 flat angles C4'-P-C4' energy: -39.642 flat angles P-C4'-P energy: -45.792 tors. eta vs tors. theta energy: -21.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -479.611463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.611463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.611463 (E_RNA) where: Base-Base interactions energy: -260.074 where: short stacking energy: -138.211 Base-Backbone interact. energy: -0.656 local terms energy: -218.881370 where: bonds (distance) C4'-P energy: -53.613 bonds (distance) P-C4' energy: -52.295 flat angles C4'-P-C4' energy: -51.477 flat angles P-C4'-P energy: -37.625 tors. eta vs tors. theta energy: -23.871 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: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -368.384323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.384323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.384323 (E_RNA) where: Base-Base interactions energy: -164.366 where: short stacking energy: -106.485 Base-Backbone interact. energy: -1.721 local terms energy: -202.297669 where: bonds (distance) C4'-P energy: -36.748 bonds (distance) P-C4' energy: -57.180 flat angles C4'-P-C4' energy: -61.628 flat angles P-C4'-P energy: -37.634 tors. eta vs tors. theta energy: -9.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -252.515801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.515801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.515801 (E_RNA) where: Base-Base interactions energy: -87.172 where: short stacking energy: -56.302 Base-Backbone interact. energy: -0.352 local terms energy: -164.991342 where: bonds (distance) C4'-P energy: -56.404 bonds (distance) P-C4' energy: -50.774 flat angles C4'-P-C4' energy: -44.478 flat angles P-C4'-P energy: -24.482 tors. eta vs tors. theta energy: 11.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1047.250698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.250698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.250698 (E_RNA) where: Base-Base interactions energy: -702.151 where: short stacking energy: -300.540 Base-Backbone interact. energy: -3.049 local terms energy: -342.051170 where: bonds (distance) C4'-P energy: -64.347 bonds (distance) P-C4' energy: -66.126 flat angles C4'-P-C4' energy: -76.021 flat angles P-C4'-P energy: -49.788 tors. eta vs tors. theta energy: -85.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1020.061628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.061628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.061628 (E_RNA) where: Base-Base interactions energy: -687.697 where: short stacking energy: -284.004 Base-Backbone interact. energy: -0.653 local terms energy: -331.712183 where: bonds (distance) C4'-P energy: -58.696 bonds (distance) P-C4' energy: -59.962 flat angles C4'-P-C4' energy: -76.146 flat angles P-C4'-P energy: -50.036 tors. eta vs tors. theta energy: -86.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -975.261132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.261132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.261132 (E_RNA) where: Base-Base interactions energy: -648.402 where: short stacking energy: -289.692 Base-Backbone interact. energy: -0.908 local terms energy: -325.951357 where: bonds (distance) C4'-P energy: -55.791 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -63.022 flat angles P-C4'-P energy: -51.122 tors. eta vs tors. theta energy: -88.518 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: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -874.530373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.530373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.530373 (E_RNA) where: Base-Base interactions energy: -560.808 where: short stacking energy: -253.272 Base-Backbone interact. energy: -2.524 local terms energy: -311.198242 where: bonds (distance) C4'-P energy: -62.638 bonds (distance) P-C4' energy: -63.359 flat angles C4'-P-C4' energy: -67.267 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: -78.628 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: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -866.156049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.156049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.156049 (E_RNA) where: Base-Base interactions energy: -555.258 where: short stacking energy: -255.317 Base-Backbone interact. energy: -1.480 local terms energy: -309.418068 where: bonds (distance) C4'-P energy: -54.657 bonds (distance) P-C4' energy: -61.642 flat angles C4'-P-C4' energy: -65.190 flat angles P-C4'-P energy: -51.938 tors. eta vs tors. theta energy: -75.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -678.368151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.368151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.368151 (E_RNA) where: Base-Base interactions energy: -419.635 where: short stacking energy: -190.126 Base-Backbone interact. energy: -0.839 local terms energy: -257.893723 where: bonds (distance) C4'-P energy: -58.146 bonds (distance) P-C4' energy: -57.608 flat angles C4'-P-C4' energy: -56.695 flat angles P-C4'-P energy: -32.716 tors. eta vs tors. theta energy: -52.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -501.135704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.135704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.135704 (E_RNA) where: Base-Base interactions energy: -291.291 where: short stacking energy: -167.553 Base-Backbone interact. energy: -0.647 local terms energy: -209.197918 where: bonds (distance) C4'-P energy: -55.666 bonds (distance) P-C4' energy: -52.173 flat angles C4'-P-C4' energy: -45.173 flat angles P-C4'-P energy: -24.858 tors. eta vs tors. theta energy: -31.328 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: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -478.963810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.963810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.963810 (E_RNA) where: Base-Base interactions energy: -269.863 where: short stacking energy: -134.608 Base-Backbone interact. energy: -0.506 local terms energy: -208.594948 where: bonds (distance) C4'-P energy: -46.164 bonds (distance) P-C4' energy: -56.247 flat angles C4'-P-C4' energy: -41.983 flat angles P-C4'-P energy: -33.105 tors. eta vs tors. theta energy: -31.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -426.394751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.394751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.394751 (E_RNA) where: Base-Base interactions energy: -227.189 where: short stacking energy: -118.999 Base-Backbone interact. energy: 1.560 local terms energy: -200.765395 where: bonds (distance) C4'-P energy: -56.550 bonds (distance) P-C4' energy: -55.844 flat angles C4'-P-C4' energy: -49.298 flat angles P-C4'-P energy: -27.180 tors. eta vs tors. theta energy: -11.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -293.161332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.161332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.161332 (E_RNA) where: Base-Base interactions energy: -114.528 where: short stacking energy: -82.784 Base-Backbone interact. energy: 0.243 local terms energy: -178.876716 where: bonds (distance) C4'-P energy: -54.216 bonds (distance) P-C4' energy: -40.477 flat angles C4'-P-C4' energy: -49.768 flat angles P-C4'-P energy: -28.723 tors. eta vs tors. theta energy: -5.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1052.569521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.569521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.569521 (E_RNA) where: Base-Base interactions energy: -729.082 where: short stacking energy: -292.558 Base-Backbone interact. energy: -1.687 local terms energy: -321.800226 where: bonds (distance) C4'-P energy: -56.159 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -74.569 flat angles P-C4'-P energy: -43.774 tors. eta vs tors. theta energy: -84.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1017.527199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.527199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.527199 (E_RNA) where: Base-Base interactions energy: -698.339 where: short stacking energy: -290.520 Base-Backbone interact. energy: -1.741 local terms energy: -317.447894 where: bonds (distance) C4'-P energy: -57.307 bonds (distance) P-C4' energy: -68.267 flat angles C4'-P-C4' energy: -60.843 flat angles P-C4'-P energy: -42.975 tors. eta vs tors. theta energy: -88.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -980.599138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.599138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.599138 (E_RNA) where: Base-Base interactions energy: -649.300 where: short stacking energy: -291.413 Base-Backbone interact. energy: -2.848 local terms energy: -328.451066 where: bonds (distance) C4'-P energy: -63.536 bonds (distance) P-C4' energy: -57.832 flat angles C4'-P-C4' energy: -73.052 flat angles P-C4'-P energy: -43.340 tors. eta vs tors. theta energy: -90.691 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: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -918.777294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.777294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.777294 (E_RNA) where: Base-Base interactions energy: -620.763 where: short stacking energy: -286.835 Base-Backbone interact. energy: -2.245 local terms energy: -295.769531 where: bonds (distance) C4'-P energy: -54.612 bonds (distance) P-C4' energy: -48.297 flat angles C4'-P-C4' energy: -65.107 flat angles P-C4'-P energy: -40.812 tors. eta vs tors. theta energy: -86.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -884.258929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.258929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.258929 (E_RNA) where: Base-Base interactions energy: -581.873 where: short stacking energy: -262.517 Base-Backbone interact. energy: -0.404 local terms energy: -301.981583 where: bonds (distance) C4'-P energy: -55.180 bonds (distance) P-C4' energy: -61.625 flat angles C4'-P-C4' energy: -61.799 flat angles P-C4'-P energy: -43.349 tors. eta vs tors. theta energy: -80.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -674.850707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.850707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.850707 (E_RNA) where: Base-Base interactions energy: -427.648 where: short stacking energy: -211.865 Base-Backbone interact. energy: -1.447 local terms energy: -245.756101 where: bonds (distance) C4'-P energy: -46.621 bonds (distance) P-C4' energy: -49.994 flat angles C4'-P-C4' energy: -64.126 flat angles P-C4'-P energy: -36.397 tors. eta vs tors. theta energy: -48.617 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: 237 Temperature: 1.200000 Total energy: -506.504694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.504694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.504694 (E_RNA) where: Base-Base interactions energy: -281.691 where: short stacking energy: -155.247 Base-Backbone interact. energy: -1.236 local terms energy: -223.578359 where: bonds (distance) C4'-P energy: -62.118 bonds (distance) P-C4' energy: -51.606 flat angles C4'-P-C4' energy: -48.752 flat angles P-C4'-P energy: -32.159 tors. eta vs tors. theta energy: -28.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -475.854034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.854034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.854034 (E_RNA) where: Base-Base interactions energy: -263.467 where: short stacking energy: -122.935 Base-Backbone interact. energy: -0.905 local terms energy: -211.481879 where: bonds (distance) C4'-P energy: -60.280 bonds (distance) P-C4' energy: -54.788 flat angles C4'-P-C4' energy: -50.347 flat angles P-C4'-P energy: -38.106 tors. eta vs tors. theta energy: -7.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -454.920225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.920225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.920225 (E_RNA) where: Base-Base interactions energy: -261.102 where: short stacking energy: -125.445 Base-Backbone interact. energy: 0.532 local terms energy: -194.349860 where: bonds (distance) C4'-P energy: -41.999 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -30.382 flat angles P-C4'-P energy: -39.929 tors. eta vs tors. theta energy: -16.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -283.444057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.444057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.444057 (E_RNA) where: Base-Base interactions energy: -115.519 where: short stacking energy: -73.485 Base-Backbone interact. energy: -3.928 local terms energy: -163.996964 where: bonds (distance) C4'-P energy: -48.261 bonds (distance) P-C4' energy: -53.303 flat angles C4'-P-C4' energy: -44.621 flat angles P-C4'-P energy: -29.825 tors. eta vs tors. theta energy: 12.013 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: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1048.517751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.517751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.517751 (E_RNA) where: Base-Base interactions energy: -718.887 where: short stacking energy: -286.819 Base-Backbone interact. energy: -0.075 local terms energy: -329.555087 where: bonds (distance) C4'-P energy: -63.964 bonds (distance) P-C4' energy: -57.705 flat angles C4'-P-C4' energy: -75.530 flat angles P-C4'-P energy: -47.347 tors. eta vs tors. theta energy: -85.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1022.838895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.838895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.838895 (E_RNA) where: Base-Base interactions energy: -695.586 where: short stacking energy: -293.917 Base-Backbone interact. energy: 0.077 local terms energy: -327.330012 where: bonds (distance) C4'-P energy: -57.247 bonds (distance) P-C4' energy: -73.089 flat angles C4'-P-C4' energy: -64.113 flat angles P-C4'-P energy: -42.642 tors. eta vs tors. theta energy: -90.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1000.274781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.274781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.274781 (E_RNA) where: Base-Base interactions energy: -671.993 where: short stacking energy: -292.517 Base-Backbone interact. energy: -0.614 local terms energy: -327.667931 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -75.226 flat angles P-C4'-P energy: -38.355 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: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -915.559533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.559533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.559533 (E_RNA) where: Base-Base interactions energy: -617.374 where: short stacking energy: -278.435 Base-Backbone interact. energy: -1.147 local terms energy: -297.039053 where: bonds (distance) C4'-P energy: -51.577 bonds (distance) P-C4' energy: -64.431 flat angles C4'-P-C4' energy: -62.880 flat angles P-C4'-P energy: -35.686 tors. eta vs tors. theta energy: -82.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -879.024127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.024127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.024127 (E_RNA) where: Base-Base interactions energy: -582.902 where: short stacking energy: -256.811 Base-Backbone interact. energy: 0.426 local terms energy: -296.548499 where: bonds (distance) C4'-P energy: -57.008 bonds (distance) P-C4' energy: -52.572 flat angles C4'-P-C4' energy: -64.669 flat angles P-C4'-P energy: -40.917 tors. eta vs tors. theta energy: -81.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -687.447511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.447511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.447511 (E_RNA) where: Base-Base interactions energy: -432.942 where: short stacking energy: -216.051 Base-Backbone interact. energy: -0.370 local terms energy: -254.135413 where: bonds (distance) C4'-P energy: -54.207 bonds (distance) P-C4' energy: -59.446 flat angles C4'-P-C4' energy: -55.146 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: -47.719 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: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -557.532729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.532729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.532729 (E_RNA) where: Base-Base interactions energy: -324.033 where: short stacking energy: -174.998 Base-Backbone interact. energy: -0.395 local terms energy: -233.105224 where: bonds (distance) C4'-P energy: -52.736 bonds (distance) P-C4' energy: -53.520 flat angles C4'-P-C4' energy: -46.545 flat angles P-C4'-P energy: -39.262 tors. eta vs tors. theta energy: -41.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -494.698547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.698547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.698547 (E_RNA) where: Base-Base interactions energy: -289.511 where: short stacking energy: -150.717 Base-Backbone interact. energy: 2.229 local terms energy: -207.416555 where: bonds (distance) C4'-P energy: -57.717 bonds (distance) P-C4' energy: -60.496 flat angles C4'-P-C4' energy: -39.000 flat angles P-C4'-P energy: -24.793 tors. eta vs tors. theta energy: -25.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -450.910926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.910926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.910926 (E_RNA) where: Base-Base interactions energy: -239.817 where: short stacking energy: -111.426 Base-Backbone interact. energy: -1.864 local terms energy: -209.230032 where: bonds (distance) C4'-P energy: -55.641 bonds (distance) P-C4' energy: -59.842 flat angles C4'-P-C4' energy: -57.122 flat angles P-C4'-P energy: -28.775 tors. eta vs tors. theta energy: -7.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -263.863624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.863624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.863624 (E_RNA) where: Base-Base interactions energy: -84.562 where: short stacking energy: -72.421 Base-Backbone interact. energy: 7.883 local terms energy: -187.184725 where: bonds (distance) C4'-P energy: -52.193 bonds (distance) P-C4' energy: -56.882 flat angles C4'-P-C4' energy: -50.167 flat angles P-C4'-P energy: -23.279 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: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1063.727666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.727666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.727666 (E_RNA) where: Base-Base interactions energy: -722.327 where: short stacking energy: -288.072 Base-Backbone interact. energy: -1.874 local terms energy: -339.526775 where: bonds (distance) C4'-P energy: -68.243 bonds (distance) P-C4' energy: -66.395 flat angles C4'-P-C4' energy: -64.399 flat angles P-C4'-P energy: -50.667 tors. eta vs tors. theta energy: -89.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1030.933860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.933860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.933860 (E_RNA) where: Base-Base interactions energy: -695.357 where: short stacking energy: -300.122 Base-Backbone interact. energy: -1.664 local terms energy: -333.913252 where: bonds (distance) C4'-P energy: -62.972 bonds (distance) P-C4' energy: -68.264 flat angles C4'-P-C4' energy: -69.273 flat angles P-C4'-P energy: -42.389 tors. eta vs tors. theta energy: -91.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1011.844472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.844472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.844472 (E_RNA) where: Base-Base interactions energy: -673.184 where: short stacking energy: -295.221 Base-Backbone interact. energy: -0.709 local terms energy: -337.951620 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -68.607 flat angles C4'-P-C4' energy: -77.654 flat angles P-C4'-P energy: -37.551 tors. eta vs tors. theta energy: -90.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -909.433871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.433871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.433871 (E_RNA) where: Base-Base interactions energy: -596.760 where: short stacking energy: -265.915 Base-Backbone interact. energy: 2.084 local terms energy: -314.757692 where: bonds (distance) C4'-P energy: -55.170 bonds (distance) P-C4' energy: -62.458 flat angles C4'-P-C4' energy: -67.201 flat angles P-C4'-P energy: -47.027 tors. eta vs tors. theta energy: -82.902 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: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -885.279897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.279897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.279897 (E_RNA) where: Base-Base interactions energy: -577.516 where: short stacking energy: -263.828 Base-Backbone interact. energy: -0.985 local terms energy: -306.778619 where: bonds (distance) C4'-P energy: -64.443 bonds (distance) P-C4' energy: -61.494 flat angles C4'-P-C4' energy: -67.854 flat angles P-C4'-P energy: -30.325 tors. eta vs tors. theta energy: -82.664 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: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -679.481764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.481764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.481764 (E_RNA) where: Base-Base interactions energy: -418.362 where: short stacking energy: -188.462 Base-Backbone interact. energy: -0.372 local terms energy: -260.747586 where: bonds (distance) C4'-P energy: -53.744 bonds (distance) P-C4' energy: -59.776 flat angles C4'-P-C4' energy: -60.970 flat angles P-C4'-P energy: -37.029 tors. eta vs tors. theta energy: -49.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -554.300295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.300295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.300295 (E_RNA) where: Base-Base interactions energy: -315.548 where: short stacking energy: -166.259 Base-Backbone interact. energy: -1.056 local terms energy: -237.695955 where: bonds (distance) C4'-P energy: -53.985 bonds (distance) P-C4' energy: -56.345 flat angles C4'-P-C4' energy: -63.859 flat angles P-C4'-P energy: -36.189 tors. eta vs tors. theta energy: -27.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -452.862743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.862743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.862743 (E_RNA) where: Base-Base interactions energy: -239.415 where: short stacking energy: -143.530 Base-Backbone interact. energy: 1.542 local terms energy: -214.989278 where: bonds (distance) C4'-P energy: -47.735 bonds (distance) P-C4' energy: -61.318 flat angles C4'-P-C4' energy: -59.733 flat angles P-C4'-P energy: -27.124 tors. eta vs tors. theta energy: -19.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -466.546513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.546513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.546513 (E_RNA) where: Base-Base interactions energy: -260.968 where: short stacking energy: -140.875 Base-Backbone interact. energy: 3.632 local terms energy: -209.210802 where: bonds (distance) C4'-P energy: -46.825 bonds (distance) P-C4' energy: -56.337 flat angles C4'-P-C4' energy: -52.793 flat angles P-C4'-P energy: -34.286 tors. eta vs tors. theta energy: -18.969 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: 3 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -257.515282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.515282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.515282 (E_RNA) where: Base-Base interactions energy: -96.244 where: short stacking energy: -73.189 Base-Backbone interact. energy: 3.619 local terms energy: -164.890549 where: bonds (distance) C4'-P energy: -44.064 bonds (distance) P-C4' energy: -57.697 flat angles C4'-P-C4' energy: -40.065 flat angles P-C4'-P energy: -30.541 tors. eta vs tors. theta energy: 7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1062.139775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.139775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.139775 (E_RNA) where: Base-Base interactions energy: -719.218 where: short stacking energy: -289.423 Base-Backbone interact. energy: 0.071 local terms energy: -342.992782 where: bonds (distance) C4'-P energy: -67.563 bonds (distance) P-C4' energy: -66.616 flat angles C4'-P-C4' energy: -64.745 flat angles P-C4'-P energy: -48.819 tors. eta vs tors. theta energy: -95.250 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: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1033.717975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.717975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.717975 (E_RNA) where: Base-Base interactions energy: -718.613 where: short stacking energy: -289.151 Base-Backbone interact. energy: -1.360 local terms energy: -313.744384 where: bonds (distance) C4'-P energy: -62.654 bonds (distance) P-C4' energy: -61.626 flat angles C4'-P-C4' energy: -65.906 flat angles P-C4'-P energy: -41.241 tors. eta vs tors. theta energy: -82.317 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: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -999.593059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.593059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.593059 (E_RNA) where: Base-Base interactions energy: -676.973 where: short stacking energy: -298.708 Base-Backbone interact. energy: -0.877 local terms energy: -321.743314 where: bonds (distance) C4'-P energy: -54.749 bonds (distance) P-C4' energy: -67.720 flat angles C4'-P-C4' energy: -62.936 flat angles P-C4'-P energy: -43.759 tors. eta vs tors. theta energy: -92.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -883.527765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.527765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.527765 (E_RNA) where: Base-Base interactions energy: -586.862 where: short stacking energy: -257.135 Base-Backbone interact. energy: -0.852 local terms energy: -295.814608 where: bonds (distance) C4'-P energy: -54.810 bonds (distance) P-C4' energy: -58.672 flat angles C4'-P-C4' energy: -67.577 flat angles P-C4'-P energy: -36.649 tors. eta vs tors. theta energy: -78.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -858.223649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.223649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.223649 (E_RNA) where: Base-Base interactions energy: -577.138 where: short stacking energy: -251.518 Base-Backbone interact. energy: -1.323 local terms energy: -279.763016 where: bonds (distance) C4'-P energy: -43.580 bonds (distance) P-C4' energy: -58.888 flat angles C4'-P-C4' energy: -58.856 flat angles P-C4'-P energy: -44.005 tors. eta vs tors. theta energy: -74.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -683.724120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.724120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.724120 (E_RNA) where: Base-Base interactions energy: -435.948 where: short stacking energy: -201.580 Base-Backbone interact. energy: 0.748 local terms energy: -248.523532 where: bonds (distance) C4'-P energy: -55.493 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -56.557 flat angles P-C4'-P energy: -24.911 tors. eta vs tors. theta energy: -56.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -561.934815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.934815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.934815 (E_RNA) where: Base-Base interactions energy: -342.828 where: short stacking energy: -162.054 Base-Backbone interact. energy: -1.184 local terms energy: -217.923463 where: bonds (distance) C4'-P energy: -48.764 bonds (distance) P-C4' energy: -52.145 flat angles C4'-P-C4' energy: -41.596 flat angles P-C4'-P energy: -38.761 tors. eta vs tors. theta energy: -36.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -452.333312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.333312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.333312 (E_RNA) where: Base-Base interactions energy: -228.150 where: short stacking energy: -130.174 Base-Backbone interact. energy: -1.261 local terms energy: -222.922422 where: bonds (distance) C4'-P energy: -52.649 bonds (distance) P-C4' energy: -59.952 flat angles C4'-P-C4' energy: -53.383 flat angles P-C4'-P energy: -27.497 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: 9, replica: 6 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -436.740600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.740600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.740600 (E_RNA) where: Base-Base interactions energy: -224.478 where: short stacking energy: -118.780 Base-Backbone interact. energy: -2.037 local terms energy: -210.225978 where: bonds (distance) C4'-P energy: -50.535 bonds (distance) P-C4' energy: -48.209 flat angles C4'-P-C4' energy: -61.113 flat angles P-C4'-P energy: -33.584 tors. eta vs tors. theta energy: -16.785 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: 3 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -274.458671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.458671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.458671 (E_RNA) where: Base-Base interactions energy: -95.808 where: short stacking energy: -86.575 Base-Backbone interact. energy: -2.645 local terms energy: -176.005731 where: bonds (distance) C4'-P energy: -56.976 bonds (distance) P-C4' energy: -51.884 flat angles C4'-P-C4' energy: -46.033 flat angles P-C4'-P energy: -27.061 tors. eta vs tors. theta energy: 5.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1065.814690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.814690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.814690 (E_RNA) where: Base-Base interactions energy: -707.796 where: short stacking energy: -304.044 Base-Backbone interact. energy: -2.021 local terms energy: -355.997244 where: bonds (distance) C4'-P energy: -65.503 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -71.488 flat angles P-C4'-P energy: -55.685 tors. eta vs tors. theta energy: -93.031 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: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1009.748035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.748035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.748035 (E_RNA) where: Base-Base interactions energy: -667.936 where: short stacking energy: -302.045 Base-Backbone interact. energy: -2.527 local terms energy: -339.284496 where: bonds (distance) C4'-P energy: -57.785 bonds (distance) P-C4' energy: -56.096 flat angles C4'-P-C4' energy: -70.565 flat angles P-C4'-P energy: -54.157 tors. eta vs tors. theta energy: -100.682 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: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -984.783957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.783957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.783957 (E_RNA) where: Base-Base interactions energy: -686.336 where: short stacking energy: -287.045 Base-Backbone interact. energy: -2.169 local terms energy: -296.279128 where: bonds (distance) C4'-P energy: -51.263 bonds (distance) P-C4' energy: -54.084 flat angles C4'-P-C4' energy: -69.098 flat angles P-C4'-P energy: -39.131 tors. eta vs tors. theta energy: -82.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -891.333856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.333856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.333856 (E_RNA) where: Base-Base interactions energy: -582.503 where: short stacking energy: -260.091 Base-Backbone interact. energy: -1.471 local terms energy: -307.360216 where: bonds (distance) C4'-P energy: -55.110 bonds (distance) P-C4' energy: -56.858 flat angles C4'-P-C4' energy: -72.033 flat angles P-C4'-P energy: -43.557 tors. eta vs tors. theta energy: -79.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -859.760457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.760457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.760457 (E_RNA) where: Base-Base interactions energy: -557.397 where: short stacking energy: -263.715 Base-Backbone interact. energy: 0.854 local terms energy: -303.217114 where: bonds (distance) C4'-P energy: -45.920 bonds (distance) P-C4' energy: -58.587 flat angles C4'-P-C4' energy: -70.679 flat angles P-C4'-P energy: -50.377 tors. eta vs tors. theta energy: -77.654 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: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -705.755701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.755701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.755701 (E_RNA) where: Base-Base interactions energy: -443.392 where: short stacking energy: -200.469 Base-Backbone interact. energy: 1.869 local terms energy: -264.233250 where: bonds (distance) C4'-P energy: -53.618 bonds (distance) P-C4' energy: -63.638 flat angles C4'-P-C4' energy: -61.919 flat angles P-C4'-P energy: -40.785 tors. eta vs tors. theta energy: -44.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -547.836707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.836707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.836707 (E_RNA) where: Base-Base interactions energy: -319.165 where: short stacking energy: -152.571 Base-Backbone interact. energy: -1.464 local terms energy: -227.208050 where: bonds (distance) C4'-P energy: -57.438 bonds (distance) P-C4' energy: -56.887 flat angles C4'-P-C4' energy: -53.899 flat angles P-C4'-P energy: -28.499 tors. eta vs tors. theta energy: -30.486 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: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -478.914550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.914550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.914550 (E_RNA) where: Base-Base interactions energy: -265.450 where: short stacking energy: -137.243 Base-Backbone interact. energy: -0.842 local terms energy: -212.621745 where: bonds (distance) C4'-P energy: -53.227 bonds (distance) P-C4' energy: -58.671 flat angles C4'-P-C4' energy: -47.960 flat angles P-C4'-P energy: -31.028 tors. eta vs tors. theta energy: -21.735 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: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -431.498448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.498448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.498448 (E_RNA) where: Base-Base interactions energy: -225.353 where: short stacking energy: -119.616 Base-Backbone interact. energy: 0.421 local terms energy: -206.567394 where: bonds (distance) C4'-P energy: -60.941 bonds (distance) P-C4' energy: -56.011 flat angles C4'-P-C4' energy: -53.005 flat angles P-C4'-P energy: -25.396 tors. eta vs tors. theta energy: -11.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -265.036640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.036640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.036640 (E_RNA) where: Base-Base interactions energy: -79.561 where: short stacking energy: -68.364 Base-Backbone interact. energy: -0.203 local terms energy: -185.272776 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -51.300 flat angles C4'-P-C4' energy: -51.080 flat angles P-C4'-P energy: -41.159 tors. eta vs tors. theta energy: 12.409 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: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1067.013496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.013496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.013496 (E_RNA) where: Base-Base interactions energy: -727.049 where: short stacking energy: -322.215 Base-Backbone interact. energy: -1.411 local terms energy: -338.553889 where: bonds (distance) C4'-P energy: -56.892 bonds (distance) P-C4' energy: -63.957 flat angles C4'-P-C4' energy: -72.735 flat angles P-C4'-P energy: -47.611 tors. eta vs tors. theta energy: -97.359 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: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1010.453656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.453656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.453656 (E_RNA) where: Base-Base interactions energy: -681.898 where: short stacking energy: -314.071 Base-Backbone interact. energy: -2.802 local terms energy: -325.753704 where: bonds (distance) C4'-P energy: -52.961 bonds (distance) P-C4' energy: -62.283 flat angles C4'-P-C4' energy: -71.604 flat angles P-C4'-P energy: -49.095 tors. eta vs tors. theta energy: -89.811 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: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1001.374959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.374959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.374959 (E_RNA) where: Base-Base interactions energy: -674.836 where: short stacking energy: -275.506 Base-Backbone interact. energy: 0.151 local terms energy: -326.689994 where: bonds (distance) C4'-P energy: -62.671 bonds (distance) P-C4' energy: -63.270 flat angles C4'-P-C4' energy: -66.884 flat angles P-C4'-P energy: -49.076 tors. eta vs tors. theta energy: -84.790 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: 4, replica: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -888.940106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.940106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.940106 (E_RNA) where: Base-Base interactions energy: -593.894 where: short stacking energy: -266.022 Base-Backbone interact. energy: -0.622 local terms energy: -294.424481 where: bonds (distance) C4'-P energy: -45.963 bonds (distance) P-C4' energy: -55.913 flat angles C4'-P-C4' energy: -66.173 flat angles P-C4'-P energy: -50.867 tors. eta vs tors. theta energy: -75.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -848.568250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.568250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.568250 (E_RNA) where: Base-Base interactions energy: -543.940 where: short stacking energy: -248.391 Base-Backbone interact. energy: -1.738 local terms energy: -302.890113 where: bonds (distance) C4'-P energy: -58.789 bonds (distance) P-C4' energy: -66.131 flat angles C4'-P-C4' energy: -63.278 flat angles P-C4'-P energy: -37.682 tors. eta vs tors. theta energy: -77.011 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: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -651.614532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.614532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.614532 (E_RNA) where: Base-Base interactions energy: -392.684 where: short stacking energy: -162.492 Base-Backbone interact. energy: -0.834 local terms energy: -258.096171 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -58.831 flat angles C4'-P-C4' energy: -57.132 flat angles P-C4'-P energy: -37.744 tors. eta vs tors. theta energy: -43.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -560.269404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.269404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.269404 (E_RNA) where: Base-Base interactions energy: -318.811 where: short stacking energy: -160.893 Base-Backbone interact. energy: 2.680 local terms energy: -244.138704 where: bonds (distance) C4'-P energy: -48.734 bonds (distance) P-C4' energy: -61.347 flat angles C4'-P-C4' energy: -53.313 flat angles P-C4'-P energy: -38.677 tors. eta vs tors. theta energy: -42.068 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: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -500.117239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.117239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.117239 (E_RNA) where: Base-Base interactions energy: -249.850 where: short stacking energy: -136.330 Base-Backbone interact. energy: 0.020 local terms energy: -250.287945 where: bonds (distance) C4'-P energy: -56.667 bonds (distance) P-C4' energy: -69.421 flat angles C4'-P-C4' energy: -56.674 flat angles P-C4'-P energy: -35.708 tors. eta vs tors. theta energy: -31.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -445.247210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.247210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.247210 (E_RNA) where: Base-Base interactions energy: -239.473 where: short stacking energy: -118.991 Base-Backbone interact. energy: -0.396 local terms energy: -205.378303 where: bonds (distance) C4'-P energy: -60.611 bonds (distance) P-C4' energy: -45.013 flat angles C4'-P-C4' energy: -52.249 flat angles P-C4'-P energy: -31.474 tors. eta vs tors. theta energy: -16.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -276.021612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.021612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.021612 (E_RNA) where: Base-Base interactions energy: -91.077 where: short stacking energy: -90.990 Base-Backbone interact. energy: -0.731 local terms energy: -184.213407 where: bonds (distance) C4'-P energy: -48.711 bonds (distance) P-C4' energy: -63.773 flat angles C4'-P-C4' energy: -49.061 flat angles P-C4'-P energy: -25.830 tors. eta vs tors. theta energy: 3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1073.266340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.266340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.266340 (E_RNA) where: Base-Base interactions energy: -736.671 where: short stacking energy: -306.706 Base-Backbone interact. energy: -0.368 local terms energy: -336.226778 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -55.987 flat angles C4'-P-C4' energy: -72.062 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -92.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1042.671298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.671298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.671298 (E_RNA) where: Base-Base interactions energy: -711.924 where: short stacking energy: -298.434 Base-Backbone interact. energy: -1.623 local terms energy: -329.123963 where: bonds (distance) C4'-P energy: -58.064 bonds (distance) P-C4' energy: -53.035 flat angles C4'-P-C4' energy: -71.680 flat angles P-C4'-P energy: -50.205 tors. eta vs tors. theta energy: -96.139 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: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -996.688822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.688822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.688822 (E_RNA) where: Base-Base interactions energy: -659.474 where: short stacking energy: -269.385 Base-Backbone interact. energy: -0.444 local terms energy: -336.771207 where: bonds (distance) C4'-P energy: -69.974 bonds (distance) P-C4' energy: -56.740 flat angles C4'-P-C4' energy: -68.848 flat angles P-C4'-P energy: -46.396 tors. eta vs tors. theta energy: -94.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -874.098962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.098962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.098962 (E_RNA) where: Base-Base interactions energy: -585.735 where: short stacking energy: -250.337 Base-Backbone interact. energy: -1.167 local terms energy: -287.196869 where: bonds (distance) C4'-P energy: -54.530 bonds (distance) P-C4' energy: -59.062 flat angles C4'-P-C4' energy: -63.582 flat angles P-C4'-P energy: -41.370 tors. eta vs tors. theta energy: -68.653 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: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -835.857216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.857216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.857216 (E_RNA) where: Base-Base interactions energy: -551.568 where: short stacking energy: -236.682 Base-Backbone interact. energy: 0.754 local terms energy: -285.042545 where: bonds (distance) C4'-P energy: -57.711 bonds (distance) P-C4' energy: -53.615 flat angles C4'-P-C4' energy: -73.851 flat angles P-C4'-P energy: -34.125 tors. eta vs tors. theta energy: -65.740 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: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -654.092522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.092522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.092522 (E_RNA) where: Base-Base interactions energy: -401.718 where: short stacking energy: -182.603 Base-Backbone interact. energy: 0.715 local terms energy: -253.089930 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -58.502 flat angles C4'-P-C4' energy: -50.746 flat angles P-C4'-P energy: -44.255 tors. eta vs tors. theta energy: -39.562 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: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -538.139177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.139177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.139177 (E_RNA) where: Base-Base interactions energy: -320.438 where: short stacking energy: -134.511 Base-Backbone interact. energy: 1.346 local terms energy: -219.046469 where: bonds (distance) C4'-P energy: -49.733 bonds (distance) P-C4' energy: -59.241 flat angles C4'-P-C4' energy: -62.499 flat angles P-C4'-P energy: -27.678 tors. eta vs tors. theta energy: -19.896 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: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -468.571616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.571616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.571616 (E_RNA) where: Base-Base interactions energy: -262.556 where: short stacking energy: -133.293 Base-Backbone interact. energy: -2.158 local terms energy: -203.857591 where: bonds (distance) C4'-P energy: -52.262 bonds (distance) P-C4' energy: -55.465 flat angles C4'-P-C4' energy: -48.228 flat angles P-C4'-P energy: -32.471 tors. eta vs tors. theta energy: -15.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -472.738285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.738285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.738285 (E_RNA) where: Base-Base interactions energy: -273.276 where: short stacking energy: -125.037 Base-Backbone interact. energy: 0.831 local terms energy: -200.292629 where: bonds (distance) C4'-P energy: -51.501 bonds (distance) P-C4' energy: -58.498 flat angles C4'-P-C4' energy: -44.008 flat angles P-C4'-P energy: -29.501 tors. eta vs tors. theta energy: -16.784 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: 3 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -266.486307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.486307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.486307 (E_RNA) where: Base-Base interactions energy: -97.859 where: short stacking energy: -97.215 Base-Backbone interact. energy: 0.799 local terms energy: -169.426719 where: bonds (distance) C4'-P energy: -54.920 bonds (distance) P-C4' energy: -44.029 flat angles C4'-P-C4' energy: -45.607 flat angles P-C4'-P energy: -29.242 tors. eta vs tors. theta energy: 4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1072.568598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.568598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.568598 (E_RNA) where: Base-Base interactions energy: -738.272 where: short stacking energy: -309.141 Base-Backbone interact. energy: -0.696 local terms energy: -333.600259 where: bonds (distance) C4'-P energy: -54.577 bonds (distance) P-C4' energy: -67.495 flat angles C4'-P-C4' energy: -64.034 flat angles P-C4'-P energy: -52.055 tors. eta vs tors. theta energy: -95.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1042.243048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.243048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.243048 (E_RNA) where: Base-Base interactions energy: -730.939 where: short stacking energy: -307.991 Base-Backbone interact. energy: -0.977 local terms energy: -310.327659 where: bonds (distance) C4'-P energy: -53.007 bonds (distance) P-C4' energy: -64.012 flat angles C4'-P-C4' energy: -69.735 flat angles P-C4'-P energy: -38.992 tors. eta vs tors. theta energy: -84.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -935.324892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.324892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.324892 (E_RNA) where: Base-Base interactions energy: -616.209 where: short stacking energy: -275.443 Base-Backbone interact. energy: -1.019 local terms energy: -318.096634 where: bonds (distance) C4'-P energy: -69.598 bonds (distance) P-C4' energy: -58.383 flat angles C4'-P-C4' energy: -69.869 flat angles P-C4'-P energy: -47.023 tors. eta vs tors. theta energy: -73.223 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: 5 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -972.328152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.328152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.328152 (E_RNA) where: Base-Base interactions energy: -663.907 where: short stacking energy: -275.724 Base-Backbone interact. energy: 0.128 local terms energy: -308.548806 where: bonds (distance) C4'-P energy: -48.070 bonds (distance) P-C4' energy: -55.789 flat angles C4'-P-C4' energy: -66.311 flat angles P-C4'-P energy: -42.732 tors. eta vs tors. theta energy: -95.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -854.426184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.426184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.426184 (E_RNA) where: Base-Base interactions energy: -562.823 where: short stacking energy: -272.288 Base-Backbone interact. energy: -0.905 local terms energy: -290.697763 where: bonds (distance) C4'-P energy: -65.342 bonds (distance) P-C4' energy: -56.039 flat angles C4'-P-C4' energy: -58.191 flat angles P-C4'-P energy: -38.060 tors. eta vs tors. theta energy: -73.066 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: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -649.821500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.821500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.821500 (E_RNA) where: Base-Base interactions energy: -393.808 where: short stacking energy: -185.812 Base-Backbone interact. energy: -0.848 local terms energy: -255.165424 where: bonds (distance) C4'-P energy: -66.302 bonds (distance) P-C4' energy: -58.879 flat angles C4'-P-C4' energy: -49.159 flat angles P-C4'-P energy: -33.578 tors. eta vs tors. theta energy: -47.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -535.968531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.968531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.968531 (E_RNA) where: Base-Base interactions energy: -322.743 where: short stacking energy: -159.110 Base-Backbone interact. energy: -0.672 local terms energy: -212.553192 where: bonds (distance) C4'-P energy: -46.534 bonds (distance) P-C4' energy: -46.980 flat angles C4'-P-C4' energy: -61.949 flat angles P-C4'-P energy: -32.444 tors. eta vs tors. theta energy: -24.646 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: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -442.607973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.607973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.607973 (E_RNA) where: Base-Base interactions energy: -228.755 where: short stacking energy: -116.533 Base-Backbone interact. energy: -1.226 local terms energy: -212.626921 where: bonds (distance) C4'-P energy: -48.919 bonds (distance) P-C4' energy: -64.337 flat angles C4'-P-C4' energy: -49.168 flat angles P-C4'-P energy: -29.630 tors. eta vs tors. theta energy: -20.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -490.870644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.870644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.870644 (E_RNA) where: Base-Base interactions energy: -284.504 where: short stacking energy: -132.387 Base-Backbone interact. energy: 2.210 local terms energy: -208.577499 where: bonds (distance) C4'-P energy: -52.610 bonds (distance) P-C4' energy: -64.364 flat angles C4'-P-C4' energy: -44.380 flat angles P-C4'-P energy: -33.979 tors. eta vs tors. theta energy: -13.244 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: 3 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -249.508907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.508907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.508907 (E_RNA) where: Base-Base interactions energy: -83.996 where: short stacking energy: -58.418 Base-Backbone interact. energy: 0.732 local terms energy: -166.244985 where: bonds (distance) C4'-P energy: -38.833 bonds (distance) P-C4' energy: -50.466 flat angles C4'-P-C4' energy: -51.306 flat angles P-C4'-P energy: -27.484 tors. eta vs tors. theta energy: 1.844 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: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1062.582991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.582991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.582991 (E_RNA) where: Base-Base interactions energy: -715.433 where: short stacking energy: -295.328 Base-Backbone interact. energy: -1.944 local terms energy: -345.205800 where: bonds (distance) C4'-P energy: -60.961 bonds (distance) P-C4' energy: -69.500 flat angles C4'-P-C4' energy: -66.374 flat angles P-C4'-P energy: -51.750 tors. eta vs tors. theta energy: -96.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1037.535628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.535628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.535628 (E_RNA) where: Base-Base interactions energy: -706.693 where: short stacking energy: -294.162 Base-Backbone interact. energy: -1.536 local terms energy: -329.305775 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -63.994 flat angles C4'-P-C4' energy: -76.804 flat angles P-C4'-P energy: -42.493 tors. eta vs tors. theta energy: -83.249 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: 3, replica: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -922.276297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.276297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.276297 (E_RNA) where: Base-Base interactions energy: -604.432 where: short stacking energy: -275.729 Base-Backbone interact. energy: -0.246 local terms energy: -317.597525 where: bonds (distance) C4'-P energy: -57.649 bonds (distance) P-C4' energy: -60.472 flat angles C4'-P-C4' energy: -67.606 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -84.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -950.290824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.290824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.290824 (E_RNA) where: Base-Base interactions energy: -658.864 where: short stacking energy: -280.031 Base-Backbone interact. energy: -0.465 local terms energy: -290.962643 where: bonds (distance) C4'-P energy: -62.407 bonds (distance) P-C4' energy: -52.300 flat angles C4'-P-C4' energy: -57.487 flat angles P-C4'-P energy: -36.873 tors. eta vs tors. theta energy: -81.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -808.360423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.360423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.360423 (E_RNA) where: Base-Base interactions energy: -545.008 where: short stacking energy: -229.810 Base-Backbone interact. energy: -0.546 local terms energy: -262.806174 where: bonds (distance) C4'-P energy: -40.635 bonds (distance) P-C4' energy: -50.641 flat angles C4'-P-C4' energy: -57.589 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -69.903 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: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -679.997696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.997696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.997696 (E_RNA) where: Base-Base interactions energy: -415.181 where: short stacking energy: -198.089 Base-Backbone interact. energy: -2.190 local terms energy: -262.627594 where: bonds (distance) C4'-P energy: -54.203 bonds (distance) P-C4' energy: -56.363 flat angles C4'-P-C4' energy: -62.818 flat angles P-C4'-P energy: -33.837 tors. eta vs tors. theta energy: -55.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -511.069324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.069324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.069324 (E_RNA) where: Base-Base interactions energy: -280.617 where: short stacking energy: -149.791 Base-Backbone interact. energy: -0.278 local terms energy: -230.174246 where: bonds (distance) C4'-P energy: -51.744 bonds (distance) P-C4' energy: -54.736 flat angles C4'-P-C4' energy: -61.230 flat angles P-C4'-P energy: -32.479 tors. eta vs tors. theta energy: -29.986 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: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -479.737004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.737004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.737004 (E_RNA) where: Base-Base interactions energy: -280.263 where: short stacking energy: -145.557 Base-Backbone interact. energy: -0.349 local terms energy: -199.124646 where: bonds (distance) C4'-P energy: -47.021 bonds (distance) P-C4' energy: -54.683 flat angles C4'-P-C4' energy: -49.238 flat angles P-C4'-P energy: -36.175 tors. eta vs tors. theta energy: -12.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -421.451298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.451298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.451298 (E_RNA) where: Base-Base interactions energy: -237.273 where: short stacking energy: -128.434 Base-Backbone interact. energy: 1.154 local terms energy: -185.332602 where: bonds (distance) C4'-P energy: -44.338 bonds (distance) P-C4' energy: -43.802 flat angles C4'-P-C4' energy: -56.793 flat angles P-C4'-P energy: -25.866 tors. eta vs tors. theta energy: -14.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -250.692650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.692650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.692650 (E_RNA) where: Base-Base interactions energy: -80.218 where: short stacking energy: -61.669 Base-Backbone interact. energy: 0.280 local terms energy: -170.754039 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -52.198 flat angles C4'-P-C4' energy: -50.979 flat angles P-C4'-P energy: -33.460 tors. eta vs tors. theta energy: 20.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1088.824058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.824058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.824058 (E_RNA) where: Base-Base interactions energy: -747.196 where: short stacking energy: -319.081 Base-Backbone interact. energy: 0.784 local terms energy: -342.412689 where: bonds (distance) C4'-P energy: -62.921 bonds (distance) P-C4' energy: -67.798 flat angles C4'-P-C4' energy: -64.551 flat angles P-C4'-P energy: -48.128 tors. eta vs tors. theta energy: -99.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1039.959662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.959662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.959662 (E_RNA) where: Base-Base interactions energy: -713.209 where: short stacking energy: -287.432 Base-Backbone interact. energy: -1.687 local terms energy: -325.063313 where: bonds (distance) C4'-P energy: -54.901 bonds (distance) P-C4' energy: -63.475 flat angles C4'-P-C4' energy: -70.804 flat angles P-C4'-P energy: -49.921 tors. eta vs tors. theta energy: -85.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -979.589422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.589422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.589422 (E_RNA) where: Base-Base interactions energy: -676.864 where: short stacking energy: -300.017 Base-Backbone interact. energy: -0.598 local terms energy: -302.127304 where: bonds (distance) C4'-P energy: -51.847 bonds (distance) P-C4' energy: -47.178 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -44.577 tors. eta vs tors. theta energy: -89.551 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: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -885.801182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.801182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.801182 (E_RNA) where: Base-Base interactions energy: -593.739 where: short stacking energy: -263.448 Base-Backbone interact. energy: 1.520 local terms energy: -293.581894 where: bonds (distance) C4'-P energy: -59.666 bonds (distance) P-C4' energy: -54.270 flat angles C4'-P-C4' energy: -53.848 flat angles P-C4'-P energy: -47.691 tors. eta vs tors. theta energy: -78.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -852.487423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.487423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.487423 (E_RNA) where: Base-Base interactions energy: -578.415 where: short stacking energy: -239.959 Base-Backbone interact. energy: -1.549 local terms energy: -272.523408 where: bonds (distance) C4'-P energy: -54.695 bonds (distance) P-C4' energy: -65.300 flat angles C4'-P-C4' energy: -54.767 flat angles P-C4'-P energy: -37.762 tors. eta vs tors. theta energy: -60.000 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: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -658.155126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.155126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.155126 (E_RNA) where: Base-Base interactions energy: -413.163 where: short stacking energy: -184.355 Base-Backbone interact. energy: -0.832 local terms energy: -244.159878 where: bonds (distance) C4'-P energy: -50.729 bonds (distance) P-C4' energy: -58.831 flat angles C4'-P-C4' energy: -52.057 flat angles P-C4'-P energy: -25.093 tors. eta vs tors. theta energy: -57.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -519.618481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.618481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.618481 (E_RNA) where: Base-Base interactions energy: -270.991 where: short stacking energy: -164.855 Base-Backbone interact. energy: 2.670 local terms energy: -251.297214 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -55.414 flat angles C4'-P-C4' energy: -52.348 flat angles P-C4'-P energy: -44.364 tors. eta vs tors. theta energy: -39.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -493.473992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.473992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.473992 (E_RNA) where: Base-Base interactions energy: -292.185 where: short stacking energy: -127.431 Base-Backbone interact. energy: -2.536 local terms energy: -198.753303 where: bonds (distance) C4'-P energy: -54.252 bonds (distance) P-C4' energy: -42.324 flat angles C4'-P-C4' energy: -47.607 flat angles P-C4'-P energy: -34.285 tors. eta vs tors. theta energy: -20.285 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: 9, replica: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -413.887903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.887903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.887903 (E_RNA) where: Base-Base interactions energy: -237.568 where: short stacking energy: -120.921 Base-Backbone interact. energy: -1.671 local terms energy: -174.648677 where: bonds (distance) C4'-P energy: -57.509 bonds (distance) P-C4' energy: -52.904 flat angles C4'-P-C4' energy: -39.980 flat angles P-C4'-P energy: -22.365 tors. eta vs tors. theta energy: -1.890 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: 10, replica: 3 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -266.189316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.189316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.189316 (E_RNA) where: Base-Base interactions energy: -89.280 where: short stacking energy: -80.473 Base-Backbone interact. energy: 2.373 local terms energy: -179.282585 where: bonds (distance) C4'-P energy: -58.861 bonds (distance) P-C4' energy: -63.842 flat angles C4'-P-C4' energy: -45.440 flat angles P-C4'-P energy: -23.463 tors. eta vs tors. theta energy: 12.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1065.842440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.842440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.842440 (E_RNA) where: Base-Base interactions energy: -706.639 where: short stacking energy: -299.999 Base-Backbone interact. energy: -0.776 local terms energy: -358.427217 where: bonds (distance) C4'-P energy: -74.311 bonds (distance) P-C4' energy: -63.832 flat angles C4'-P-C4' energy: -70.599 flat angles P-C4'-P energy: -50.074 tors. eta vs tors. theta energy: -99.611 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: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1034.326810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.326810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.326810 (E_RNA) where: Base-Base interactions energy: -716.347 where: short stacking energy: -282.510 Base-Backbone interact. energy: -1.013 local terms energy: -316.966828 where: bonds (distance) C4'-P energy: -55.742 bonds (distance) P-C4' energy: -63.132 flat angles C4'-P-C4' energy: -61.203 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -84.847 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: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -990.551602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.551602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.551602 (E_RNA) where: Base-Base interactions energy: -659.655 where: short stacking energy: -292.183 Base-Backbone interact. energy: -0.404 local terms energy: -330.492316 where: bonds (distance) C4'-P energy: -55.767 bonds (distance) P-C4' energy: -63.732 flat angles C4'-P-C4' energy: -68.600 flat angles P-C4'-P energy: -48.946 tors. eta vs tors. theta energy: -93.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -880.900452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.900452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.900452 (E_RNA) where: Base-Base interactions energy: -578.790 where: short stacking energy: -251.540 Base-Backbone interact. energy: -0.203 local terms energy: -301.907199 where: bonds (distance) C4'-P energy: -58.154 bonds (distance) P-C4' energy: -66.784 flat angles C4'-P-C4' energy: -52.323 flat angles P-C4'-P energy: -44.465 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: 5, replica: 1 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -824.071949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.071949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.071949 (E_RNA) where: Base-Base interactions energy: -563.437 where: short stacking energy: -229.099 Base-Backbone interact. energy: 3.803 local terms energy: -264.437755 where: bonds (distance) C4'-P energy: -56.028 bonds (distance) P-C4' energy: -58.006 flat angles C4'-P-C4' energy: -60.849 flat angles P-C4'-P energy: -29.452 tors. eta vs tors. theta energy: -60.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -668.549270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.549270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.549270 (E_RNA) where: Base-Base interactions energy: -432.353 where: short stacking energy: -197.629 Base-Backbone interact. energy: -0.969 local terms energy: -235.227212 where: bonds (distance) C4'-P energy: -55.293 bonds (distance) P-C4' energy: -43.477 flat angles C4'-P-C4' energy: -59.307 flat angles P-C4'-P energy: -27.652 tors. eta vs tors. theta energy: -49.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -523.387968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.387968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.387968 (E_RNA) where: Base-Base interactions energy: -279.806 where: short stacking energy: -148.443 Base-Backbone interact. energy: -0.349 local terms energy: -243.233126 where: bonds (distance) C4'-P energy: -61.829 bonds (distance) P-C4' energy: -60.622 flat angles C4'-P-C4' energy: -56.301 flat angles P-C4'-P energy: -32.701 tors. eta vs tors. theta energy: -31.781 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: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -497.050716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.050716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.050716 (E_RNA) where: Base-Base interactions energy: -266.124 where: short stacking energy: -140.145 Base-Backbone interact. energy: -0.179 local terms energy: -230.748053 where: bonds (distance) C4'-P energy: -51.385 bonds (distance) P-C4' energy: -59.569 flat angles C4'-P-C4' energy: -55.024 flat angles P-C4'-P energy: -39.821 tors. eta vs tors. theta energy: -24.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -403.886722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.886722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.886722 (E_RNA) where: Base-Base interactions energy: -218.031 where: short stacking energy: -126.156 Base-Backbone interact. energy: -0.828 local terms energy: -185.027533 where: bonds (distance) C4'-P energy: -38.589 bonds (distance) P-C4' energy: -46.558 flat angles C4'-P-C4' energy: -54.259 flat angles P-C4'-P energy: -20.893 tors. eta vs tors. theta energy: -24.729 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: 3 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -264.367366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.367366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.367366 (E_RNA) where: Base-Base interactions energy: -80.526 where: short stacking energy: -64.386 Base-Backbone interact. energy: 0.832 local terms energy: -184.673182 where: bonds (distance) C4'-P energy: -54.597 bonds (distance) P-C4' energy: -54.199 flat angles C4'-P-C4' energy: -55.762 flat angles P-C4'-P energy: -19.358 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1054.345167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.345167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.345167 (E_RNA) where: Base-Base interactions energy: -730.242 where: short stacking energy: -303.893 Base-Backbone interact. energy: -1.149 local terms energy: -322.954144 where: bonds (distance) C4'-P energy: -53.017 bonds (distance) P-C4' energy: -56.818 flat angles C4'-P-C4' energy: -76.715 flat angles P-C4'-P energy: -44.918 tors. eta vs tors. theta energy: -91.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1035.563118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.563118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.563118 (E_RNA) where: Base-Base interactions energy: -684.949 where: short stacking energy: -260.553 Base-Backbone interact. energy: 1.594 local terms energy: -352.208379 where: bonds (distance) C4'-P energy: -65.928 bonds (distance) P-C4' energy: -74.412 flat angles C4'-P-C4' energy: -78.975 flat angles P-C4'-P energy: -48.597 tors. eta vs tors. theta energy: -84.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -983.829896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.829896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.829896 (E_RNA) where: Base-Base interactions energy: -672.034 where: short stacking energy: -288.160 Base-Backbone interact. energy: -1.049 local terms energy: -310.747846 where: bonds (distance) C4'-P energy: -63.396 bonds (distance) P-C4' energy: -52.232 flat angles C4'-P-C4' energy: -63.646 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: -86.692 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: 4, replica: 7 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -904.551457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.551457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.551457 (E_RNA) where: Base-Base interactions energy: -593.007 where: short stacking energy: -254.622 Base-Backbone interact. energy: -0.677 local terms energy: -310.867300 where: bonds (distance) C4'-P energy: -53.590 bonds (distance) P-C4' energy: -59.565 flat angles C4'-P-C4' energy: -67.489 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: -87.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -823.974157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.974157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.974157 (E_RNA) where: Base-Base interactions energy: -525.628 where: short stacking energy: -250.589 Base-Backbone interact. energy: -1.496 local terms energy: -296.850231 where: bonds (distance) C4'-P energy: -61.856 bonds (distance) P-C4' energy: -60.814 flat angles C4'-P-C4' energy: -60.635 flat angles P-C4'-P energy: -38.145 tors. eta vs tors. theta energy: -75.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -688.852996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.852996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.852996 (E_RNA) where: Base-Base interactions energy: -444.538 where: short stacking energy: -174.256 Base-Backbone interact. energy: 0.921 local terms energy: -245.235981 where: bonds (distance) C4'-P energy: -50.608 bonds (distance) P-C4' energy: -56.611 flat angles C4'-P-C4' energy: -53.790 flat angles P-C4'-P energy: -31.737 tors. eta vs tors. theta energy: -52.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -513.540650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.540650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.540650 (E_RNA) where: Base-Base interactions energy: -291.686 where: short stacking energy: -152.193 Base-Backbone interact. energy: -0.894 local terms energy: -220.960288 where: bonds (distance) C4'-P energy: -55.694 bonds (distance) P-C4' energy: -51.312 flat angles C4'-P-C4' energy: -56.779 flat angles P-C4'-P energy: -34.116 tors. eta vs tors. theta energy: -23.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -484.865367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.865367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.865367 (E_RNA) where: Base-Base interactions energy: -257.305 where: short stacking energy: -152.054 Base-Backbone interact. energy: -1.226 local terms energy: -226.334707 where: bonds (distance) C4'-P energy: -56.098 bonds (distance) P-C4' energy: -50.558 flat angles C4'-P-C4' energy: -50.420 flat angles P-C4'-P energy: -46.001 tors. eta vs tors. theta energy: -23.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -475.653655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.653655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.653655 (E_RNA) where: Base-Base interactions energy: -284.630 where: short stacking energy: -127.742 Base-Backbone interact. energy: -0.861 local terms energy: -190.162930 where: bonds (distance) C4'-P energy: -38.816 bonds (distance) P-C4' energy: -50.639 flat angles C4'-P-C4' energy: -55.710 flat angles P-C4'-P energy: -32.407 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: 10, replica: 3 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -243.719352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.719352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.719352 (E_RNA) where: Base-Base interactions energy: -66.967 where: short stacking energy: -58.010 Base-Backbone interact. energy: 0.897 local terms energy: -177.649908 where: bonds (distance) C4'-P energy: -60.021 bonds (distance) P-C4' energy: -55.482 flat angles C4'-P-C4' energy: -42.998 flat angles P-C4'-P energy: -33.148 tors. eta vs tors. theta energy: 13.998 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: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1066.561973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.561973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.561973 (E_RNA) where: Base-Base interactions energy: -725.408 where: short stacking energy: -308.309 Base-Backbone interact. energy: -3.232 local terms energy: -337.921933 where: bonds (distance) C4'-P energy: -58.936 bonds (distance) P-C4' energy: -68.463 flat angles C4'-P-C4' energy: -66.290 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: -98.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1017.309571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.309571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.309571 (E_RNA) where: Base-Base interactions energy: -690.135 where: short stacking energy: -270.777 Base-Backbone interact. energy: -0.157 local terms energy: -327.017725 where: bonds (distance) C4'-P energy: -66.497 bonds (distance) P-C4' energy: -59.368 flat angles C4'-P-C4' energy: -73.184 flat angles P-C4'-P energy: -45.258 tors. eta vs tors. theta energy: -82.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -962.246125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.246125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.246125 (E_RNA) where: Base-Base interactions energy: -654.251 where: short stacking energy: -285.189 Base-Backbone interact. energy: -0.212 local terms energy: -307.782609 where: bonds (distance) C4'-P energy: -54.519 bonds (distance) P-C4' energy: -55.357 flat angles C4'-P-C4' energy: -66.954 flat angles P-C4'-P energy: -43.173 tors. eta vs tors. theta energy: -87.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -948.402520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.402520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.402520 (E_RNA) where: Base-Base interactions energy: -639.073 where: short stacking energy: -252.949 Base-Backbone interact. energy: -0.384 local terms energy: -308.945607 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -57.962 flat angles C4'-P-C4' energy: -58.711 flat angles P-C4'-P energy: -52.925 tors. eta vs tors. theta energy: -75.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -772.231484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.231484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.231484 (E_RNA) where: Base-Base interactions energy: -506.102 where: short stacking energy: -219.108 Base-Backbone interact. energy: 0.181 local terms energy: -266.310609 where: bonds (distance) C4'-P energy: -51.676 bonds (distance) P-C4' energy: -61.264 flat angles C4'-P-C4' energy: -60.620 flat angles P-C4'-P energy: -33.866 tors. eta vs tors. theta energy: -58.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -683.138643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.138643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.138643 (E_RNA) where: Base-Base interactions energy: -414.063 where: short stacking energy: -188.579 Base-Backbone interact. energy: -0.081 local terms energy: -268.994915 where: bonds (distance) C4'-P energy: -54.960 bonds (distance) P-C4' energy: -59.262 flat angles C4'-P-C4' energy: -61.061 flat angles P-C4'-P energy: -45.626 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: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -497.293067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.293067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.293067 (E_RNA) where: Base-Base interactions energy: -275.743 where: short stacking energy: -139.470 Base-Backbone interact. energy: 0.620 local terms energy: -222.170453 where: bonds (distance) C4'-P energy: -54.487 bonds (distance) P-C4' energy: -70.958 flat angles C4'-P-C4' energy: -42.205 flat angles P-C4'-P energy: -37.699 tors. eta vs tors. theta energy: -16.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -458.027284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.027284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.027284 (E_RNA) where: Base-Base interactions energy: -252.790 where: short stacking energy: -139.413 Base-Backbone interact. energy: -0.514 local terms energy: -204.724095 where: bonds (distance) C4'-P energy: -54.976 bonds (distance) P-C4' energy: -53.653 flat angles C4'-P-C4' energy: -57.025 flat angles P-C4'-P energy: -20.291 tors. eta vs tors. theta energy: -18.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -492.572041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.572041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.572041 (E_RNA) where: Base-Base interactions energy: -286.397 where: short stacking energy: -149.667 Base-Backbone interact. energy: 0.903 local terms energy: -207.077607 where: bonds (distance) C4'-P energy: -57.133 bonds (distance) P-C4' energy: -45.492 flat angles C4'-P-C4' energy: -45.141 flat angles P-C4'-P energy: -39.467 tors. eta vs tors. theta energy: -19.845 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: 3 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -253.257287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.257287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.257287 (E_RNA) where: Base-Base interactions energy: -83.659 where: short stacking energy: -68.288 Base-Backbone interact. energy: -0.787 local terms energy: -168.811087 where: bonds (distance) C4'-P energy: -59.224 bonds (distance) P-C4' energy: -57.953 flat angles C4'-P-C4' energy: -48.116 flat angles P-C4'-P energy: -21.975 tors. eta vs tors. theta energy: 18.457 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: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1051.688675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.688675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.688675 (E_RNA) where: Base-Base interactions energy: -723.116 where: short stacking energy: -295.694 Base-Backbone interact. energy: 0.002 local terms energy: -328.575077 where: bonds (distance) C4'-P energy: -63.245 bonds (distance) P-C4' energy: -67.444 flat angles C4'-P-C4' energy: -61.320 flat angles P-C4'-P energy: -39.738 tors. eta vs tors. theta energy: -96.829 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: 2, replica: 8 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1035.227406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.227406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.227406 (E_RNA) where: Base-Base interactions energy: -696.924 where: short stacking energy: -286.128 Base-Backbone interact. energy: 1.334 local terms energy: -339.637489 where: bonds (distance) C4'-P energy: -68.828 bonds (distance) P-C4' energy: -68.229 flat angles C4'-P-C4' energy: -67.705 flat angles P-C4'-P energy: -54.894 tors. eta vs tors. theta energy: -79.982 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: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -987.630098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.630098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.630098 (E_RNA) where: Base-Base interactions energy: -661.021 where: short stacking energy: -296.284 Base-Backbone interact. energy: -0.755 local terms energy: -325.854259 where: bonds (distance) C4'-P energy: -54.089 bonds (distance) P-C4' energy: -59.791 flat angles C4'-P-C4' energy: -69.784 flat angles P-C4'-P energy: -53.793 tors. eta vs tors. theta energy: -88.398 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: 4, replica: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -957.688834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.688834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.688834 (E_RNA) where: Base-Base interactions energy: -650.781 where: short stacking energy: -273.287 Base-Backbone interact. energy: 0.879 local terms energy: -307.787105 where: bonds (distance) C4'-P energy: -52.418 bonds (distance) P-C4' energy: -57.206 flat angles C4'-P-C4' energy: -65.977 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: -80.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -786.930992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.930992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.930992 (E_RNA) where: Base-Base interactions energy: -541.206 where: short stacking energy: -235.938 Base-Backbone interact. energy: -0.933 local terms energy: -244.792572 where: bonds (distance) C4'-P energy: -41.296 bonds (distance) P-C4' energy: -51.469 flat angles C4'-P-C4' energy: -58.012 flat angles P-C4'-P energy: -36.178 tors. eta vs tors. theta energy: -57.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -643.418986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.418986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.418986 (E_RNA) where: Base-Base interactions energy: -387.393 where: short stacking energy: -184.435 Base-Backbone interact. energy: 0.423 local terms energy: -256.449464 where: bonds (distance) C4'-P energy: -65.317 bonds (distance) P-C4' energy: -55.369 flat angles C4'-P-C4' energy: -53.738 flat angles P-C4'-P energy: -32.888 tors. eta vs tors. theta energy: -49.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -495.544534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.544534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.544534 (E_RNA) where: Base-Base interactions energy: -264.981 where: short stacking energy: -136.056 Base-Backbone interact. energy: -1.694 local terms energy: -228.870074 where: bonds (distance) C4'-P energy: -48.545 bonds (distance) P-C4' energy: -63.742 flat angles C4'-P-C4' energy: -52.584 flat angles P-C4'-P energy: -35.545 tors. eta vs tors. theta energy: -28.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -468.379133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.379133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.379133 (E_RNA) where: Base-Base interactions energy: -265.495 where: short stacking energy: -130.257 Base-Backbone interact. energy: 0.355 local terms energy: -203.238920 where: bonds (distance) C4'-P energy: -48.442 bonds (distance) P-C4' energy: -55.687 flat angles C4'-P-C4' energy: -49.718 flat angles P-C4'-P energy: -26.348 tors. eta vs tors. theta energy: -23.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -469.772431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.772431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.772431 (E_RNA) where: Base-Base interactions energy: -272.083 where: short stacking energy: -131.087 Base-Backbone interact. energy: -0.987 local terms energy: -196.702262 where: bonds (distance) C4'-P energy: -43.784 bonds (distance) P-C4' energy: -51.146 flat angles C4'-P-C4' energy: -56.972 flat angles P-C4'-P energy: -31.064 tors. eta vs tors. theta energy: -13.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -264.388246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.388246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.388246 (E_RNA) where: Base-Base interactions energy: -83.289 where: short stacking energy: -55.549 Base-Backbone interact. energy: -0.307 local terms energy: -180.791988 where: bonds (distance) C4'-P energy: -57.206 bonds (distance) P-C4' energy: -66.073 flat angles C4'-P-C4' energy: -45.329 flat angles P-C4'-P energy: -25.211 tors. eta vs tors. theta energy: 13.028 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: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1069.434809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.434809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.434809 (E_RNA) where: Base-Base interactions energy: -719.864 where: short stacking energy: -296.041 Base-Backbone interact. energy: -2.104 local terms energy: -347.465964 where: bonds (distance) C4'-P energy: -60.150 bonds (distance) P-C4' energy: -69.672 flat angles C4'-P-C4' energy: -72.165 flat angles P-C4'-P energy: -53.136 tors. eta vs tors. theta energy: -92.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1025.572230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.572230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.572230 (E_RNA) where: Base-Base interactions energy: -706.959 where: short stacking energy: -278.842 Base-Backbone interact. energy: 0.425 local terms energy: -319.038664 where: bonds (distance) C4'-P energy: -60.920 bonds (distance) P-C4' energy: -55.642 flat angles C4'-P-C4' energy: -67.169 flat angles P-C4'-P energy: -49.359 tors. eta vs tors. theta energy: -85.948 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: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1027.005152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.005152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.005152 (E_RNA) where: Base-Base interactions energy: -692.569 where: short stacking energy: -313.908 Base-Backbone interact. energy: -0.760 local terms energy: -333.676103 where: bonds (distance) C4'-P energy: -55.602 bonds (distance) P-C4' energy: -67.629 flat angles C4'-P-C4' energy: -72.238 flat angles P-C4'-P energy: -45.349 tors. eta vs tors. theta energy: -92.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -942.399520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.399520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.399520 (E_RNA) where: Base-Base interactions energy: -637.854 where: short stacking energy: -276.450 Base-Backbone interact. energy: -0.348 local terms energy: -304.197951 where: bonds (distance) C4'-P energy: -52.771 bonds (distance) P-C4' energy: -54.147 flat angles C4'-P-C4' energy: -67.106 flat angles P-C4'-P energy: -44.364 tors. eta vs tors. theta energy: -85.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -793.037584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.037584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.037584 (E_RNA) where: Base-Base interactions energy: -515.891 where: short stacking energy: -233.307 Base-Backbone interact. energy: -1.875 local terms energy: -275.271816 where: bonds (distance) C4'-P energy: -56.263 bonds (distance) P-C4' energy: -61.941 flat angles C4'-P-C4' energy: -65.117 flat angles P-C4'-P energy: -36.122 tors. eta vs tors. theta energy: -55.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -658.201553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.201553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.201553 (E_RNA) where: Base-Base interactions energy: -403.354 where: short stacking energy: -190.999 Base-Backbone interact. energy: -0.040 local terms energy: -254.807617 where: bonds (distance) C4'-P energy: -58.575 bonds (distance) P-C4' energy: -60.048 flat angles C4'-P-C4' energy: -60.746 flat angles P-C4'-P energy: -32.725 tors. eta vs tors. theta energy: -42.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -521.262564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.262564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.262564 (E_RNA) where: Base-Base interactions energy: -299.886 where: short stacking energy: -160.936 Base-Backbone interact. energy: 5.908 local terms energy: -227.284732 where: bonds (distance) C4'-P energy: -62.630 bonds (distance) P-C4' energy: -59.460 flat angles C4'-P-C4' energy: -47.684 flat angles P-C4'-P energy: -31.900 tors. eta vs tors. theta energy: -25.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -522.939765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.939765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.939765 (E_RNA) where: Base-Base interactions energy: -296.214 where: short stacking energy: -158.408 Base-Backbone interact. energy: 1.063 local terms energy: -227.789394 where: bonds (distance) C4'-P energy: -59.340 bonds (distance) P-C4' energy: -56.388 flat angles C4'-P-C4' energy: -45.889 flat angles P-C4'-P energy: -34.616 tors. eta vs tors. theta energy: -31.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -433.839487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.839487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.839487 (E_RNA) where: Base-Base interactions energy: -242.623 where: short stacking energy: -121.810 Base-Backbone interact. energy: -0.883 local terms energy: -190.333333 where: bonds (distance) C4'-P energy: -50.764 bonds (distance) P-C4' energy: -60.058 flat angles C4'-P-C4' energy: -41.485 flat angles P-C4'-P energy: -27.849 tors. eta vs tors. theta energy: -10.177 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: 10, replica: 3 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -249.321922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.321922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.321922 (E_RNA) where: Base-Base interactions energy: -87.023 where: short stacking energy: -74.116 Base-Backbone interact. energy: 1.113 local terms energy: -163.411868 where: bonds (distance) C4'-P energy: -52.114 bonds (distance) P-C4' energy: -45.819 flat angles C4'-P-C4' energy: -44.745 flat angles P-C4'-P energy: -30.552 tors. eta vs tors. theta energy: 9.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1091.018927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.018927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.018927 (E_RNA) where: Base-Base interactions energy: -740.247 where: short stacking energy: -310.157 Base-Backbone interact. energy: -3.684 local terms energy: -347.087647 where: bonds (distance) C4'-P energy: -61.065 bonds (distance) P-C4' energy: -61.690 flat angles C4'-P-C4' energy: -67.368 flat angles P-C4'-P energy: -59.340 tors. eta vs tors. theta energy: -97.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1054.731617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.731617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.731617 (E_RNA) where: Base-Base interactions energy: -741.132 where: short stacking energy: -288.808 Base-Backbone interact. energy: 0.938 local terms energy: -314.538187 where: bonds (distance) C4'-P energy: -59.964 bonds (distance) P-C4' energy: -50.659 flat angles C4'-P-C4' energy: -71.167 flat angles P-C4'-P energy: -43.514 tors. eta vs tors. theta energy: -89.234 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: 252 Temperature: 1.000000 Total energy: -986.016045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.016045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.016045 (E_RNA) where: Base-Base interactions energy: -650.392 where: short stacking energy: -296.241 Base-Backbone interact. energy: -0.963 local terms energy: -334.660674 where: bonds (distance) C4'-P energy: -64.494 bonds (distance) P-C4' energy: -63.867 flat angles C4'-P-C4' energy: -69.875 flat angles P-C4'-P energy: -45.394 tors. eta vs tors. theta energy: -91.030 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: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -992.016228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.016228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.016228 (E_RNA) where: Base-Base interactions energy: -669.487 where: short stacking energy: -282.576 Base-Backbone interact. energy: -1.832 local terms energy: -320.696811 where: bonds (distance) C4'-P energy: -62.408 bonds (distance) P-C4' energy: -61.573 flat angles C4'-P-C4' energy: -57.333 flat angles P-C4'-P energy: -46.543 tors. eta vs tors. theta energy: -92.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -820.795127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.795127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.795127 (E_RNA) where: Base-Base interactions energy: -554.608 where: short stacking energy: -250.515 Base-Backbone interact. energy: -1.681 local terms energy: -264.505882 where: bonds (distance) C4'-P energy: -54.329 bonds (distance) P-C4' energy: -53.047 flat angles C4'-P-C4' energy: -60.186 flat angles P-C4'-P energy: -31.152 tors. eta vs tors. theta energy: -65.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -618.643289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.643289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.643289 (E_RNA) where: Base-Base interactions energy: -373.793 where: short stacking energy: -168.836 Base-Backbone interact. energy: -1.577 local terms energy: -243.272786 where: bonds (distance) C4'-P energy: -54.527 bonds (distance) P-C4' energy: -62.777 flat angles C4'-P-C4' energy: -55.811 flat angles P-C4'-P energy: -31.824 tors. eta vs tors. theta energy: -38.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -508.605407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.605407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.605407 (E_RNA) where: Base-Base interactions energy: -288.767 where: short stacking energy: -144.946 Base-Backbone interact. energy: 0.342 local terms energy: -220.180481 where: bonds (distance) C4'-P energy: -57.923 bonds (distance) P-C4' energy: -51.262 flat angles C4'-P-C4' energy: -53.568 flat angles P-C4'-P energy: -29.309 tors. eta vs tors. theta energy: -28.119 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: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -461.425640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.425640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.425640 (E_RNA) where: Base-Base interactions energy: -239.686 where: short stacking energy: -130.814 Base-Backbone interact. energy: -0.434 local terms energy: -221.306262 where: bonds (distance) C4'-P energy: -42.080 bonds (distance) P-C4' energy: -65.949 flat angles C4'-P-C4' energy: -58.398 flat angles P-C4'-P energy: -29.473 tors. eta vs tors. theta energy: -25.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -453.661843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.661843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.661843 (E_RNA) where: Base-Base interactions energy: -238.638 where: short stacking energy: -133.514 Base-Backbone interact. energy: 4.023 local terms energy: -219.047036 where: bonds (distance) C4'-P energy: -44.728 bonds (distance) P-C4' energy: -55.609 flat angles C4'-P-C4' energy: -50.677 flat angles P-C4'-P energy: -41.169 tors. eta vs tors. theta energy: -26.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -263.879909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.879909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.879909 (E_RNA) where: Base-Base interactions energy: -80.081 where: short stacking energy: -70.472 Base-Backbone interact. energy: -1.487 local terms energy: -182.312058 where: bonds (distance) C4'-P energy: -49.834 bonds (distance) P-C4' energy: -65.705 flat angles C4'-P-C4' energy: -46.644 flat angles P-C4'-P energy: -24.584 tors. eta vs tors. theta energy: 4.453 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: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1096.864740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.864740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.864740 (E_RNA) where: Base-Base interactions energy: -744.065 where: short stacking energy: -309.419 Base-Backbone interact. energy: -2.677 local terms energy: -350.122075 where: bonds (distance) C4'-P energy: -68.891 bonds (distance) P-C4' energy: -59.328 flat angles C4'-P-C4' energy: -72.537 flat angles P-C4'-P energy: -50.058 tors. eta vs tors. theta energy: -99.308 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: 253 Temperature: 0.950000 Total energy: -1049.668535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.668535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.668535 (E_RNA) where: Base-Base interactions energy: -731.854 where: short stacking energy: -287.553 Base-Backbone interact. energy: -2.222 local terms energy: -315.591844 where: bonds (distance) C4'-P energy: -65.251 bonds (distance) P-C4' energy: -57.394 flat angles C4'-P-C4' energy: -63.829 flat angles P-C4'-P energy: -40.930 tors. eta vs tors. theta energy: -88.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1004.760999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.760999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.760999 (E_RNA) where: Base-Base interactions energy: -691.084 where: short stacking energy: -297.615 Base-Backbone interact. energy: -2.120 local terms energy: -311.557188 where: bonds (distance) C4'-P energy: -52.986 bonds (distance) P-C4' energy: -67.580 flat angles C4'-P-C4' energy: -56.243 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -94.705 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: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -980.175172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.175172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.175172 (E_RNA) where: Base-Base interactions energy: -659.936 where: short stacking energy: -291.028 Base-Backbone interact. energy: -1.458 local terms energy: -318.781110 where: bonds (distance) C4'-P energy: -54.001 bonds (distance) P-C4' energy: -73.944 flat angles C4'-P-C4' energy: -54.170 flat angles P-C4'-P energy: -40.832 tors. eta vs tors. theta energy: -95.835 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: 1 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -816.737237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.737237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.737237 (E_RNA) where: Base-Base interactions energy: -546.528 where: short stacking energy: -240.161 Base-Backbone interact. energy: 2.267 local terms energy: -272.476374 where: bonds (distance) C4'-P energy: -58.691 bonds (distance) P-C4' energy: -42.961 flat angles C4'-P-C4' energy: -60.383 flat angles P-C4'-P energy: -48.867 tors. eta vs tors. theta energy: -61.574 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: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -628.506933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.506933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.506933 (E_RNA) where: Base-Base interactions energy: -371.245 where: short stacking energy: -184.569 Base-Backbone interact. energy: 1.191 local terms energy: -258.453742 where: bonds (distance) C4'-P energy: -56.536 bonds (distance) P-C4' energy: -59.198 flat angles C4'-P-C4' energy: -53.041 flat angles P-C4'-P energy: -32.484 tors. eta vs tors. theta energy: -57.195 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: 7, replica: 4 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -496.199981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.199981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.199981 (E_RNA) where: Base-Base interactions energy: -269.976 where: short stacking energy: -156.921 Base-Backbone interact. energy: -1.471 local terms energy: -224.752880 where: bonds (distance) C4'-P energy: -55.774 bonds (distance) P-C4' energy: -53.940 flat angles C4'-P-C4' energy: -47.080 flat angles P-C4'-P energy: -41.876 tors. eta vs tors. theta energy: -26.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -458.578481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.578481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.578481 (E_RNA) where: Base-Base interactions energy: -252.479 where: short stacking energy: -125.058 Base-Backbone interact. energy: 0.597 local terms energy: -206.696380 where: bonds (distance) C4'-P energy: -46.467 bonds (distance) P-C4' energy: -49.908 flat angles C4'-P-C4' energy: -56.238 flat angles P-C4'-P energy: -35.420 tors. eta vs tors. theta energy: -18.663 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: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -486.779018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.779018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.779018 (E_RNA) where: Base-Base interactions energy: -277.397 where: short stacking energy: -137.196 Base-Backbone interact. energy: 0.138 local terms energy: -209.520141 where: bonds (distance) C4'-P energy: -48.407 bonds (distance) P-C4' energy: -60.677 flat angles C4'-P-C4' energy: -48.243 flat angles P-C4'-P energy: -27.011 tors. eta vs tors. theta energy: -25.181 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: 3 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -258.358177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.358177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.358177 (E_RNA) where: Base-Base interactions energy: -94.322 where: short stacking energy: -74.449 Base-Backbone interact. energy: 1.603 local terms energy: -165.638702 where: bonds (distance) C4'-P energy: -54.849 bonds (distance) P-C4' energy: -44.713 flat angles C4'-P-C4' energy: -46.477 flat angles P-C4'-P energy: -24.709 tors. eta vs tors. theta energy: 5.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1097.863856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.863856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.863856 (E_RNA) where: Base-Base interactions energy: -747.349 where: short stacking energy: -308.572 Base-Backbone interact. energy: -1.415 local terms energy: -349.099102 where: bonds (distance) C4'-P energy: -62.575 bonds (distance) P-C4' energy: -60.823 flat angles C4'-P-C4' energy: -76.658 flat angles P-C4'-P energy: -54.135 tors. eta vs tors. theta energy: -94.909 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: 254 Temperature: 0.950000 Total energy: -1022.250877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.250877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.250877 (E_RNA) where: Base-Base interactions energy: -693.155 where: short stacking energy: -285.057 Base-Backbone interact. energy: -1.550 local terms energy: -327.546063 where: bonds (distance) C4'-P energy: -60.292 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -73.186 flat angles P-C4'-P energy: -53.183 tors. eta vs tors. theta energy: -83.987 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: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1014.395301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.395301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.395301 (E_RNA) where: Base-Base interactions energy: -693.224 where: short stacking energy: -308.330 Base-Backbone interact. energy: -1.094 local terms energy: -320.076698 where: bonds (distance) C4'-P energy: -58.199 bonds (distance) P-C4' energy: -55.581 flat angles C4'-P-C4' energy: -59.333 flat angles P-C4'-P energy: -42.152 tors. eta vs tors. theta energy: -104.813 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: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -989.058413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.058413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.058413 (E_RNA) where: Base-Base interactions energy: -675.758 where: short stacking energy: -291.423 Base-Backbone interact. energy: -1.650 local terms energy: -311.649590 where: bonds (distance) C4'-P energy: -37.795 bonds (distance) P-C4' energy: -62.875 flat angles C4'-P-C4' energy: -70.367 flat angles P-C4'-P energy: -41.721 tors. eta vs tors. theta energy: -98.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -803.724543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.724543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.724543 (E_RNA) where: Base-Base interactions energy: -522.292 where: short stacking energy: -231.348 Base-Backbone interact. energy: -1.705 local terms energy: -279.727332 where: bonds (distance) C4'-P energy: -57.362 bonds (distance) P-C4' energy: -55.477 flat angles C4'-P-C4' energy: -57.889 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: -68.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -668.286078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.286078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.286078 (E_RNA) where: Base-Base interactions energy: -383.404 where: short stacking energy: -195.381 Base-Backbone interact. energy: -1.290 local terms energy: -283.592044 where: bonds (distance) C4'-P energy: -65.573 bonds (distance) P-C4' energy: -67.381 flat angles C4'-P-C4' energy: -54.453 flat angles P-C4'-P energy: -42.236 tors. eta vs tors. theta energy: -53.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -506.987319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.987319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.987319 (E_RNA) where: Base-Base interactions energy: -283.218 where: short stacking energy: -139.931 Base-Backbone interact. energy: -0.927 local terms energy: -222.842514 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -59.564 flat angles C4'-P-C4' energy: -59.879 flat angles P-C4'-P energy: -26.708 tors. eta vs tors. theta energy: -19.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -514.942348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.942348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.942348 (E_RNA) where: Base-Base interactions energy: -285.356 where: short stacking energy: -140.311 Base-Backbone interact. energy: 2.019 local terms energy: -231.605524 where: bonds (distance) C4'-P energy: -61.058 bonds (distance) P-C4' energy: -51.158 flat angles C4'-P-C4' energy: -54.836 flat angles P-C4'-P energy: -34.509 tors. eta vs tors. theta energy: -30.045 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: 9, replica: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -453.530992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.530992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.530992 (E_RNA) where: Base-Base interactions energy: -248.655 where: short stacking energy: -129.718 Base-Backbone interact. energy: -1.514 local terms energy: -203.362430 where: bonds (distance) C4'-P energy: -47.228 bonds (distance) P-C4' energy: -55.193 flat angles C4'-P-C4' energy: -49.136 flat angles P-C4'-P energy: -30.450 tors. eta vs tors. theta energy: -21.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -272.115653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.115653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.115653 (E_RNA) where: Base-Base interactions energy: -85.182 where: short stacking energy: -66.939 Base-Backbone interact. energy: 0.384 local terms energy: -187.317912 where: bonds (distance) C4'-P energy: -54.865 bonds (distance) P-C4' energy: -63.898 flat angles C4'-P-C4' energy: -51.696 flat angles P-C4'-P energy: -20.648 tors. eta vs tors. theta energy: 3.789 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: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1086.038084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.038084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.038084 (E_RNA) where: Base-Base interactions energy: -740.186 where: short stacking energy: -311.059 Base-Backbone interact. energy: -1.220 local terms energy: -344.631613 where: bonds (distance) C4'-P energy: -62.198 bonds (distance) P-C4' energy: -64.562 flat angles C4'-P-C4' energy: -76.203 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: -97.635 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: 2, replica: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1019.865470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.865470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.865470 (E_RNA) where: Base-Base interactions energy: -668.631 where: short stacking energy: -320.878 Base-Backbone interact. energy: -0.945 local terms energy: -350.289877 where: bonds (distance) C4'-P energy: -68.967 bonds (distance) P-C4' energy: -59.006 flat angles C4'-P-C4' energy: -66.291 flat angles P-C4'-P energy: -52.836 tors. eta vs tors. theta energy: -103.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1015.686374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.686374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.686374 (E_RNA) where: Base-Base interactions energy: -689.994 where: short stacking energy: -287.211 Base-Backbone interact. energy: -0.227 local terms energy: -325.464500 where: bonds (distance) C4'-P energy: -62.447 bonds (distance) P-C4' energy: -63.985 flat angles C4'-P-C4' energy: -73.225 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -84.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1010.742179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.742179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.742179 (E_RNA) where: Base-Base interactions energy: -670.728 where: short stacking energy: -298.533 Base-Backbone interact. energy: -1.681 local terms energy: -338.333415 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -62.080 flat angles C4'-P-C4' energy: -68.747 flat angles P-C4'-P energy: -48.916 tors. eta vs tors. theta energy: -99.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -809.670365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.670365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.670365 (E_RNA) where: Base-Base interactions energy: -527.324 where: short stacking energy: -240.855 Base-Backbone interact. energy: 2.626 local terms energy: -284.971734 where: bonds (distance) C4'-P energy: -62.657 bonds (distance) P-C4' energy: -58.795 flat angles C4'-P-C4' energy: -51.603 flat angles P-C4'-P energy: -44.791 tors. eta vs tors. theta energy: -67.126 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: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -675.461621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.461621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.461621 (E_RNA) where: Base-Base interactions energy: -413.997 where: short stacking energy: -182.180 Base-Backbone interact. energy: -1.897 local terms energy: -259.568207 where: bonds (distance) C4'-P energy: -63.493 bonds (distance) P-C4' energy: -56.067 flat angles C4'-P-C4' energy: -53.268 flat angles P-C4'-P energy: -39.802 tors. eta vs tors. theta energy: -46.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -495.087858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.087858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.087858 (E_RNA) where: Base-Base interactions energy: -285.484 where: short stacking energy: -161.482 Base-Backbone interact. energy: -2.036 local terms energy: -207.567801 where: bonds (distance) C4'-P energy: -57.772 bonds (distance) P-C4' energy: -50.564 flat angles C4'-P-C4' energy: -40.609 flat angles P-C4'-P energy: -37.058 tors. eta vs tors. theta energy: -21.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -479.911715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.911715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.911715 (E_RNA) where: Base-Base interactions energy: -273.730 where: short stacking energy: -141.525 Base-Backbone interact. energy: 0.054 local terms energy: -206.236556 where: bonds (distance) C4'-P energy: -52.036 bonds (distance) P-C4' energy: -57.494 flat angles C4'-P-C4' energy: -47.514 flat angles P-C4'-P energy: -24.559 tors. eta vs tors. theta energy: -24.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -470.713977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.713977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.713977 (E_RNA) where: Base-Base interactions energy: -248.461 where: short stacking energy: -123.599 Base-Backbone interact. energy: -1.519 local terms energy: -220.734190 where: bonds (distance) C4'-P energy: -45.385 bonds (distance) P-C4' energy: -55.086 flat angles C4'-P-C4' energy: -54.449 flat angles P-C4'-P energy: -38.733 tors. eta vs tors. theta energy: -27.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -251.477124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.477124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.477124 (E_RNA) where: Base-Base interactions energy: -98.273 where: short stacking energy: -61.521 Base-Backbone interact. energy: 5.380 local terms energy: -158.584216 where: bonds (distance) C4'-P energy: -47.842 bonds (distance) P-C4' energy: -50.106 flat angles C4'-P-C4' energy: -51.255 flat angles P-C4'-P energy: -19.151 tors. eta vs tors. theta energy: 9.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1087.176865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.176865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.176865 (E_RNA) where: Base-Base interactions energy: -760.794 where: short stacking energy: -312.420 Base-Backbone interact. energy: -1.003 local terms energy: -325.379393 where: bonds (distance) C4'-P energy: -57.100 bonds (distance) P-C4' energy: -63.747 flat angles C4'-P-C4' energy: -71.957 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -90.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1022.989910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.989910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.989910 (E_RNA) where: Base-Base interactions energy: -686.095 where: short stacking energy: -309.227 Base-Backbone interact. energy: -2.857 local terms energy: -334.038128 where: bonds (distance) C4'-P energy: -47.541 bonds (distance) P-C4' energy: -68.347 flat angles C4'-P-C4' energy: -72.512 flat angles P-C4'-P energy: -46.060 tors. eta vs tors. theta energy: -99.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -981.934466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.934466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.934466 (E_RNA) where: Base-Base interactions energy: -666.052 where: short stacking energy: -265.085 Base-Backbone interact. energy: 1.551 local terms energy: -317.434002 where: bonds (distance) C4'-P energy: -70.337 bonds (distance) P-C4' energy: -62.037 flat angles C4'-P-C4' energy: -65.253 flat angles P-C4'-P energy: -41.165 tors. eta vs tors. theta energy: -78.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -953.204822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.204822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.204822 (E_RNA) where: Base-Base interactions energy: -650.444 where: short stacking energy: -247.245 Base-Backbone interact. energy: -2.014 local terms energy: -300.746440 where: bonds (distance) C4'-P energy: -58.207 bonds (distance) P-C4' energy: -62.577 flat angles C4'-P-C4' energy: -60.923 flat angles P-C4'-P energy: -34.880 tors. eta vs tors. theta energy: -84.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -808.794598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.794598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.794598 (E_RNA) where: Base-Base interactions energy: -543.164 where: short stacking energy: -265.904 Base-Backbone interact. energy: -1.038 local terms energy: -264.592460 where: bonds (distance) C4'-P energy: -46.549 bonds (distance) P-C4' energy: -60.541 flat angles C4'-P-C4' energy: -62.034 flat angles P-C4'-P energy: -33.991 tors. eta vs tors. theta energy: -61.477 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: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -633.823819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.823819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.823819 (E_RNA) where: Base-Base interactions energy: -375.707 where: short stacking energy: -180.593 Base-Backbone interact. energy: -0.961 local terms energy: -257.155574 where: bonds (distance) C4'-P energy: -55.137 bonds (distance) P-C4' energy: -66.302 flat angles C4'-P-C4' energy: -63.767 flat angles P-C4'-P energy: -30.516 tors. eta vs tors. theta energy: -41.434 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: 2 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -524.433248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.433248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.433248 (E_RNA) where: Base-Base interactions energy: -297.883 where: short stacking energy: -175.443 Base-Backbone interact. energy: 1.539 local terms energy: -228.089117 where: bonds (distance) C4'-P energy: -60.341 bonds (distance) P-C4' energy: -53.415 flat angles C4'-P-C4' energy: -55.981 flat angles P-C4'-P energy: -26.444 tors. eta vs tors. theta energy: -31.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -511.398901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.398901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.398901 (E_RNA) where: Base-Base interactions energy: -281.412 where: short stacking energy: -145.782 Base-Backbone interact. energy: 6.528 local terms energy: -236.514734 where: bonds (distance) C4'-P energy: -62.034 bonds (distance) P-C4' energy: -68.124 flat angles C4'-P-C4' energy: -50.579 flat angles P-C4'-P energy: -29.103 tors. eta vs tors. theta energy: -26.674 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: 6 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -469.614574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.614574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.614574 (E_RNA) where: Base-Base interactions energy: -255.251 where: short stacking energy: -129.584 Base-Backbone interact. energy: -0.678 local terms energy: -213.685804 where: bonds (distance) C4'-P energy: -54.644 bonds (distance) P-C4' energy: -55.644 flat angles C4'-P-C4' energy: -54.948 flat angles P-C4'-P energy: -33.391 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -255.711013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.711013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.711013 (E_RNA) where: Base-Base interactions energy: -99.091 where: short stacking energy: -90.847 Base-Backbone interact. energy: 3.233 local terms energy: -159.853205 where: bonds (distance) C4'-P energy: -46.421 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -46.792 flat angles P-C4'-P energy: -21.570 tors. eta vs tors. theta energy: 13.045 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: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1076.409756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.409756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.409756 (E_RNA) where: Base-Base interactions energy: -723.440 where: short stacking energy: -309.980 Base-Backbone interact. energy: -0.552 local terms energy: -352.417756 where: bonds (distance) C4'-P energy: -62.571 bonds (distance) P-C4' energy: -63.626 flat angles C4'-P-C4' energy: -75.473 flat angles P-C4'-P energy: -53.230 tors. eta vs tors. theta energy: -97.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1037.561811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.561811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.561811 (E_RNA) where: Base-Base interactions energy: -687.619 where: short stacking energy: -305.953 Base-Backbone interact. energy: 0.382 local terms energy: -350.325533 where: bonds (distance) C4'-P energy: -61.580 bonds (distance) P-C4' energy: -64.833 flat angles C4'-P-C4' energy: -73.679 flat angles P-C4'-P energy: -45.173 tors. eta vs tors. theta energy: -105.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1010.612129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.612129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.612129 (E_RNA) where: Base-Base interactions energy: -708.197 where: short stacking energy: -287.964 Base-Backbone interact. energy: -2.977 local terms energy: -299.438759 where: bonds (distance) C4'-P energy: -60.590 bonds (distance) P-C4' energy: -52.601 flat angles C4'-P-C4' energy: -60.018 flat angles P-C4'-P energy: -33.947 tors. eta vs tors. theta energy: -92.283 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: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -960.817616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.817616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.817616 (E_RNA) where: Base-Base interactions energy: -625.954 where: short stacking energy: -259.677 Base-Backbone interact. energy: -1.437 local terms energy: -333.426657 where: bonds (distance) C4'-P energy: -65.361 bonds (distance) P-C4' energy: -65.192 flat angles C4'-P-C4' energy: -69.405 flat angles P-C4'-P energy: -47.039 tors. eta vs tors. theta energy: -86.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -785.532383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.532383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.532383 (E_RNA) where: Base-Base interactions energy: -491.300 where: short stacking energy: -212.078 Base-Backbone interact. energy: -1.481 local terms energy: -292.751795 where: bonds (distance) C4'-P energy: -61.757 bonds (distance) P-C4' energy: -70.398 flat angles C4'-P-C4' energy: -68.398 flat angles P-C4'-P energy: -36.554 tors. eta vs tors. theta energy: -55.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -632.342380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.342380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.342380 (E_RNA) where: Base-Base interactions energy: -372.521 where: short stacking energy: -164.202 Base-Backbone interact. energy: -0.849 local terms energy: -258.972474 where: bonds (distance) C4'-P energy: -57.207 bonds (distance) P-C4' energy: -50.728 flat angles C4'-P-C4' energy: -64.772 flat angles P-C4'-P energy: -47.789 tors. eta vs tors. theta energy: -38.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -550.929674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.929674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.929674 (E_RNA) where: Base-Base interactions energy: -320.807 where: short stacking energy: -155.510 Base-Backbone interact. energy: -1.137 local terms energy: -228.986110 where: bonds (distance) C4'-P energy: -54.025 bonds (distance) P-C4' energy: -62.212 flat angles C4'-P-C4' energy: -62.266 flat angles P-C4'-P energy: -41.599 tors. eta vs tors. theta energy: -8.884 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: 4 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -472.919144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.919144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.919144 (E_RNA) where: Base-Base interactions energy: -250.651 where: short stacking energy: -135.611 Base-Backbone interact. energy: 1.527 local terms energy: -223.795318 where: bonds (distance) C4'-P energy: -61.217 bonds (distance) P-C4' energy: -53.631 flat angles C4'-P-C4' energy: -50.695 flat angles P-C4'-P energy: -29.557 tors. eta vs tors. theta energy: -28.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -451.110101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.110101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.110101 (E_RNA) where: Base-Base interactions energy: -243.847 where: short stacking energy: -134.088 Base-Backbone interact. energy: -0.081 local terms energy: -207.181517 where: bonds (distance) C4'-P energy: -57.868 bonds (distance) P-C4' energy: -47.961 flat angles C4'-P-C4' energy: -44.318 flat angles P-C4'-P energy: -43.228 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: 10, replica: 3 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -257.913668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.913668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.913668 (E_RNA) where: Base-Base interactions energy: -81.712 where: short stacking energy: -69.366 Base-Backbone interact. energy: 0.004 local terms energy: -176.205477 where: bonds (distance) C4'-P energy: -59.719 bonds (distance) P-C4' energy: -48.553 flat angles C4'-P-C4' energy: -50.692 flat angles P-C4'-P energy: -22.600 tors. eta vs tors. theta energy: 5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1077.211608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.211608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.211608 (E_RNA) where: Base-Base interactions energy: -740.484 where: short stacking energy: -305.669 Base-Backbone interact. energy: 0.209 local terms energy: -336.936389 where: bonds (distance) C4'-P energy: -66.838 bonds (distance) P-C4' energy: -62.088 flat angles C4'-P-C4' energy: -68.660 flat angles P-C4'-P energy: -46.819 tors. eta vs tors. theta energy: -92.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1036.325949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.325949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.325949 (E_RNA) where: Base-Base interactions energy: -693.831 where: short stacking energy: -301.200 Base-Backbone interact. energy: 0.183 local terms energy: -342.677806 where: bonds (distance) C4'-P energy: -64.453 bonds (distance) P-C4' energy: -70.176 flat angles C4'-P-C4' energy: -67.588 flat angles P-C4'-P energy: -45.713 tors. eta vs tors. theta energy: -94.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -993.471444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.471444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.471444 (E_RNA) where: Base-Base interactions energy: -673.303 where: short stacking energy: -307.164 Base-Backbone interact. energy: 1.441 local terms energy: -321.609487 where: bonds (distance) C4'-P energy: -55.054 bonds (distance) P-C4' energy: -57.956 flat angles C4'-P-C4' energy: -69.051 flat angles P-C4'-P energy: -46.746 tors. eta vs tors. theta energy: -92.803 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: 258 Temperature: 1.050000 Total energy: -958.037856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.037856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.037856 (E_RNA) where: Base-Base interactions energy: -645.574 where: short stacking energy: -254.817 Base-Backbone interact. energy: -2.151 local terms energy: -310.313034 where: bonds (distance) C4'-P energy: -56.990 bonds (distance) P-C4' energy: -61.971 flat angles C4'-P-C4' energy: -67.090 flat angles P-C4'-P energy: -45.586 tors. eta vs tors. theta energy: -78.676 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: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -811.355440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.355440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.355440 (E_RNA) where: Base-Base interactions energy: -525.151 where: short stacking energy: -221.637 Base-Backbone interact. energy: -0.270 local terms energy: -285.934134 where: bonds (distance) C4'-P energy: -56.118 bonds (distance) P-C4' energy: -55.596 flat angles C4'-P-C4' energy: -68.606 flat angles P-C4'-P energy: -44.799 tors. eta vs tors. theta energy: -60.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -653.571140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.571140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.571140 (E_RNA) where: Base-Base interactions energy: -400.778 where: short stacking energy: -185.215 Base-Backbone interact. energy: -1.386 local terms energy: -251.407750 where: bonds (distance) C4'-P energy: -61.305 bonds (distance) P-C4' energy: -62.500 flat angles C4'-P-C4' energy: -51.886 flat angles P-C4'-P energy: -33.563 tors. eta vs tors. theta energy: -42.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -590.682438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.682438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.682438 (E_RNA) where: Base-Base interactions energy: -360.014 where: short stacking energy: -181.390 Base-Backbone interact. energy: 0.229 local terms energy: -230.897008 where: bonds (distance) C4'-P energy: -46.209 bonds (distance) P-C4' energy: -54.070 flat angles C4'-P-C4' energy: -55.810 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: -33.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -519.113156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.113156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.113156 (E_RNA) where: Base-Base interactions energy: -276.467 where: short stacking energy: -152.409 Base-Backbone interact. energy: -0.157 local terms energy: -242.488519 where: bonds (distance) C4'-P energy: -58.516 bonds (distance) P-C4' energy: -56.215 flat angles C4'-P-C4' energy: -64.303 flat angles P-C4'-P energy: -34.420 tors. eta vs tors. theta energy: -29.035 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: 6 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -461.016377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.016377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.016377 (E_RNA) where: Base-Base interactions energy: -256.215 where: short stacking energy: -132.894 Base-Backbone interact. energy: 0.957 local terms energy: -205.758708 where: bonds (distance) C4'-P energy: -53.186 bonds (distance) P-C4' energy: -55.207 flat angles C4'-P-C4' energy: -55.898 flat angles P-C4'-P energy: -29.321 tors. eta vs tors. theta energy: -12.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -250.316849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.316849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.316849 (E_RNA) where: Base-Base interactions energy: -76.028 where: short stacking energy: -67.067 Base-Backbone interact. energy: 1.882 local terms energy: -176.170675 where: bonds (distance) C4'-P energy: -50.132 bonds (distance) P-C4' energy: -58.155 flat angles C4'-P-C4' energy: -44.034 flat angles P-C4'-P energy: -32.496 tors. eta vs tors. theta energy: 8.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1100.851864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.851864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.851864 (E_RNA) where: Base-Base interactions energy: -743.585 where: short stacking energy: -308.130 Base-Backbone interact. energy: -0.364 local terms energy: -356.903395 where: bonds (distance) C4'-P energy: -61.855 bonds (distance) P-C4' energy: -72.781 flat angles C4'-P-C4' energy: -75.970 flat angles P-C4'-P energy: -48.460 tors. eta vs tors. theta energy: -97.837 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: 5 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1051.467200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.467200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.467200 (E_RNA) where: Base-Base interactions energy: -727.555 where: short stacking energy: -311.822 Base-Backbone interact. energy: -1.288 local terms energy: -322.624205 where: bonds (distance) C4'-P energy: -51.584 bonds (distance) P-C4' energy: -59.727 flat angles C4'-P-C4' energy: -71.186 flat angles P-C4'-P energy: -47.888 tors. eta vs tors. theta energy: -92.239 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: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -960.986370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.986370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.986370 (E_RNA) where: Base-Base interactions energy: -655.439 where: short stacking energy: -270.772 Base-Backbone interact. energy: 1.475 local terms energy: -307.022723 where: bonds (distance) C4'-P energy: -57.721 bonds (distance) P-C4' energy: -65.005 flat angles C4'-P-C4' energy: -71.040 flat angles P-C4'-P energy: -37.997 tors. eta vs tors. theta energy: -75.260 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: 8 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -955.908240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.908240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.908240 (E_RNA) where: Base-Base interactions energy: -648.454 where: short stacking energy: -255.568 Base-Backbone interact. energy: 2.978 local terms energy: -310.432832 where: bonds (distance) C4'-P energy: -65.892 bonds (distance) P-C4' energy: -61.208 flat angles C4'-P-C4' energy: -60.763 flat angles P-C4'-P energy: -45.823 tors. eta vs tors. theta energy: -76.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -826.482459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.482459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.482459 (E_RNA) where: Base-Base interactions energy: -542.268 where: short stacking energy: -243.286 Base-Backbone interact. energy: -0.701 local terms energy: -283.513503 where: bonds (distance) C4'-P energy: -55.977 bonds (distance) P-C4' energy: -64.203 flat angles C4'-P-C4' energy: -58.139 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -62.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -621.883026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.883026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.883026 (E_RNA) where: Base-Base interactions energy: -375.945 where: short stacking energy: -170.419 Base-Backbone interact. energy: -1.262 local terms energy: -244.675826 where: bonds (distance) C4'-P energy: -46.885 bonds (distance) P-C4' energy: -63.320 flat angles C4'-P-C4' energy: -59.230 flat angles P-C4'-P energy: -39.991 tors. eta vs tors. theta energy: -35.250 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: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -554.016458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.016458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.016458 (E_RNA) where: Base-Base interactions energy: -324.346 where: short stacking energy: -144.274 Base-Backbone interact. energy: 3.521 local terms energy: -233.191061 where: bonds (distance) C4'-P energy: -50.447 bonds (distance) P-C4' energy: -54.025 flat angles C4'-P-C4' energy: -57.146 flat angles P-C4'-P energy: -41.652 tors. eta vs tors. theta energy: -29.921 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: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -486.415426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.415426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.415426 (E_RNA) where: Base-Base interactions energy: -263.198 where: short stacking energy: -136.901 Base-Backbone interact. energy: 1.010 local terms energy: -224.227163 where: bonds (distance) C4'-P energy: -56.396 bonds (distance) P-C4' energy: -47.254 flat angles C4'-P-C4' energy: -53.607 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: -20.323 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: 6 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -461.129558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.129558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.129558 (E_RNA) where: Base-Base interactions energy: -251.627 where: short stacking energy: -129.427 Base-Backbone interact. energy: -0.942 local terms energy: -208.560361 where: bonds (distance) C4'-P energy: -49.428 bonds (distance) P-C4' energy: -62.528 flat angles C4'-P-C4' energy: -48.600 flat angles P-C4'-P energy: -32.819 tors. eta vs tors. theta energy: -15.185 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: 3 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -252.183068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.183068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.183068 (E_RNA) where: Base-Base interactions energy: -88.597 where: short stacking energy: -78.774 Base-Backbone interact. energy: 0.471 local terms energy: -164.057293 where: bonds (distance) C4'-P energy: -62.289 bonds (distance) P-C4' energy: -53.947 flat angles C4'-P-C4' energy: -40.793 flat angles P-C4'-P energy: -28.343 tors. eta vs tors. theta energy: 21.314 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: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1092.988272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.988272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.988272 (E_RNA) where: Base-Base interactions energy: -746.880 where: short stacking energy: -298.184 Base-Backbone interact. energy: -2.067 local terms energy: -344.041997 where: bonds (distance) C4'-P energy: -62.270 bonds (distance) P-C4' energy: -64.005 flat angles C4'-P-C4' energy: -63.514 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: -102.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1038.500454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.500454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.500454 (E_RNA) where: Base-Base interactions energy: -720.613 where: short stacking energy: -301.488 Base-Backbone interact. energy: -1.311 local terms energy: -316.576809 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -59.285 flat angles C4'-P-C4' energy: -68.122 flat angles P-C4'-P energy: -39.180 tors. eta vs tors. theta energy: -90.662 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: 3, replica: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -937.149697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.149697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.149697 (E_RNA) where: Base-Base interactions energy: -627.716 where: short stacking energy: -261.213 Base-Backbone interact. energy: -2.122 local terms energy: -307.312067 where: bonds (distance) C4'-P energy: -51.885 bonds (distance) P-C4' energy: -65.203 flat angles C4'-P-C4' energy: -69.593 flat angles P-C4'-P energy: -39.284 tors. eta vs tors. theta energy: -81.347 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: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -955.206673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.206673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.206673 (E_RNA) where: Base-Base interactions energy: -628.451 where: short stacking energy: -277.221 Base-Backbone interact. energy: -2.219 local terms energy: -324.536998 where: bonds (distance) C4'-P energy: -74.338 bonds (distance) P-C4' energy: -60.786 flat angles C4'-P-C4' energy: -70.407 flat angles P-C4'-P energy: -37.256 tors. eta vs tors. theta energy: -81.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -821.048919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.048919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.048919 (E_RNA) where: Base-Base interactions energy: -542.520 where: short stacking energy: -235.463 Base-Backbone interact. energy: 0.384 local terms energy: -278.913473 where: bonds (distance) C4'-P energy: -60.687 bonds (distance) P-C4' energy: -49.744 flat angles C4'-P-C4' energy: -66.477 flat angles P-C4'-P energy: -33.772 tors. eta vs tors. theta energy: -68.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -620.700689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.700689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.700689 (E_RNA) where: Base-Base interactions energy: -377.641 where: short stacking energy: -189.671 Base-Backbone interact. energy: -0.628 local terms energy: -242.431657 where: bonds (distance) C4'-P energy: -53.523 bonds (distance) P-C4' energy: -45.952 flat angles C4'-P-C4' energy: -59.584 flat angles P-C4'-P energy: -34.744 tors. eta vs tors. theta energy: -48.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -570.896472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.896472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.896472 (E_RNA) where: Base-Base interactions energy: -354.250 where: short stacking energy: -165.297 Base-Backbone interact. energy: 3.082 local terms energy: -219.727914 where: bonds (distance) C4'-P energy: -42.976 bonds (distance) P-C4' energy: -58.712 flat angles C4'-P-C4' energy: -49.508 flat angles P-C4'-P energy: -39.925 tors. eta vs tors. theta energy: -28.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -475.612916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.612916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.612916 (E_RNA) where: Base-Base interactions energy: -253.069 where: short stacking energy: -155.098 Base-Backbone interact. energy: -0.750 local terms energy: -221.794701 where: bonds (distance) C4'-P energy: -52.420 bonds (distance) P-C4' energy: -56.335 flat angles C4'-P-C4' energy: -56.875 flat angles P-C4'-P energy: -29.806 tors. eta vs tors. theta energy: -26.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -461.374856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.374856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.374856 (E_RNA) where: Base-Base interactions energy: -256.979 where: short stacking energy: -105.337 Base-Backbone interact. energy: -2.732 local terms energy: -201.663662 where: bonds (distance) C4'-P energy: -38.300 bonds (distance) P-C4' energy: -60.370 flat angles C4'-P-C4' energy: -48.622 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -6.273 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: 10, replica: 3 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -248.219332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.219332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.219332 (E_RNA) where: Base-Base interactions energy: -88.140 where: short stacking energy: -70.742 Base-Backbone interact. energy: 1.335 local terms energy: -161.414082 where: bonds (distance) C4'-P energy: -51.833 bonds (distance) P-C4' energy: -43.910 flat angles C4'-P-C4' energy: -43.243 flat angles P-C4'-P energy: -33.008 tors. eta vs tors. theta energy: 10.581 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: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1099.700161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.700161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.700161 (E_RNA) where: Base-Base interactions energy: -747.648 where: short stacking energy: -326.610 Base-Backbone interact. energy: -2.908 local terms energy: -349.143804 where: bonds (distance) C4'-P energy: -67.566 bonds (distance) P-C4' energy: -52.319 flat angles C4'-P-C4' energy: -78.594 flat angles P-C4'-P energy: -49.447 tors. eta vs tors. theta energy: -101.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1017.557540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.557540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.557540 (E_RNA) where: Base-Base interactions energy: -690.464 where: short stacking energy: -287.817 Base-Backbone interact. energy: -1.349 local terms energy: -325.744264 where: bonds (distance) C4'-P energy: -70.076 bonds (distance) P-C4' energy: -60.959 flat angles C4'-P-C4' energy: -62.681 flat angles P-C4'-P energy: -41.511 tors. eta vs tors. theta energy: -90.517 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: 261 Temperature: 1.000000 Total energy: -939.701869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.701869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.701869 (E_RNA) where: Base-Base interactions energy: -633.965 where: short stacking energy: -249.458 Base-Backbone interact. energy: -2.159 local terms energy: -303.578639 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -57.199 flat angles C4'-P-C4' energy: -66.727 flat angles P-C4'-P energy: -45.974 tors. eta vs tors. theta energy: -72.307 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: 4, replica: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -968.080897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.080897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.080897 (E_RNA) where: Base-Base interactions energy: -661.406 where: short stacking energy: -283.053 Base-Backbone interact. energy: -1.317 local terms energy: -305.357620 where: bonds (distance) C4'-P energy: -43.910 bonds (distance) P-C4' energy: -58.494 flat angles C4'-P-C4' energy: -68.299 flat angles P-C4'-P energy: -44.839 tors. eta vs tors. theta energy: -89.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -792.494893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.494893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.494893 (E_RNA) where: Base-Base interactions energy: -524.103 where: short stacking energy: -209.692 Base-Backbone interact. energy: 4.511 local terms energy: -272.902983 where: bonds (distance) C4'-P energy: -55.874 bonds (distance) P-C4' energy: -59.441 flat angles C4'-P-C4' energy: -60.725 flat angles P-C4'-P energy: -41.982 tors. eta vs tors. theta energy: -54.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -615.261266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.261266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.261266 (E_RNA) where: Base-Base interactions energy: -382.552 where: short stacking energy: -191.862 Base-Backbone interact. energy: -1.708 local terms energy: -231.001796 where: bonds (distance) C4'-P energy: -48.699 bonds (distance) P-C4' energy: -53.306 flat angles C4'-P-C4' energy: -53.880 flat angles P-C4'-P energy: -24.593 tors. eta vs tors. theta energy: -50.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -592.786730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.786730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.786730 (E_RNA) where: Base-Base interactions energy: -349.908 where: short stacking energy: -169.985 Base-Backbone interact. energy: 0.906 local terms energy: -243.783973 where: bonds (distance) C4'-P energy: -59.644 bonds (distance) P-C4' energy: -63.262 flat angles C4'-P-C4' energy: -56.142 flat angles P-C4'-P energy: -24.128 tors. eta vs tors. theta energy: -40.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -507.790788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.790788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.790788 (E_RNA) where: Base-Base interactions energy: -287.378 where: short stacking energy: -150.335 Base-Backbone interact. energy: 2.814 local terms energy: -223.226934 where: bonds (distance) C4'-P energy: -62.445 bonds (distance) P-C4' energy: -59.091 flat angles C4'-P-C4' energy: -49.543 flat angles P-C4'-P energy: -35.027 tors. eta vs tors. theta energy: -17.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -474.703595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.703595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.703595 (E_RNA) where: Base-Base interactions energy: -261.034 where: short stacking energy: -130.473 Base-Backbone interact. energy: -0.391 local terms energy: -213.278397 where: bonds (distance) C4'-P energy: -55.637 bonds (distance) P-C4' energy: -52.661 flat angles C4'-P-C4' energy: -45.294 flat angles P-C4'-P energy: -32.282 tors. eta vs tors. theta energy: -27.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -250.073762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.073762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.073762 (E_RNA) where: Base-Base interactions energy: -82.836 where: short stacking energy: -74.819 Base-Backbone interact. energy: 2.562 local terms energy: -169.799319 where: bonds (distance) C4'-P energy: -43.876 bonds (distance) P-C4' energy: -51.173 flat angles C4'-P-C4' energy: -44.000 flat angles P-C4'-P energy: -34.083 tors. eta vs tors. theta energy: 3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1103.396528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.396528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.396528 (E_RNA) where: Base-Base interactions energy: -760.502 where: short stacking energy: -317.854 Base-Backbone interact. energy: 0.148 local terms energy: -343.043179 where: bonds (distance) C4'-P energy: -58.983 bonds (distance) P-C4' energy: -65.219 flat angles C4'-P-C4' energy: -72.002 flat angles P-C4'-P energy: -50.586 tors. eta vs tors. theta energy: -96.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1004.564847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.564847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.564847 (E_RNA) where: Base-Base interactions energy: -662.793 where: short stacking energy: -287.151 Base-Backbone interact. energy: 0.843 local terms energy: -342.614665 where: bonds (distance) C4'-P energy: -65.079 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -54.280 tors. eta vs tors. theta energy: -91.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -960.543473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.543473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.543473 (E_RNA) where: Base-Base interactions energy: -649.073 where: short stacking energy: -283.089 Base-Backbone interact. energy: -1.414 local terms energy: -310.056366 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -55.318 flat angles C4'-P-C4' energy: -63.531 flat angles P-C4'-P energy: -42.964 tors. eta vs tors. theta energy: -85.200 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: 4, replica: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -919.995240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.995240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.995240 (E_RNA) where: Base-Base interactions energy: -641.610 where: short stacking energy: -264.286 Base-Backbone interact. energy: -1.288 local terms energy: -277.097115 where: bonds (distance) C4'-P energy: -48.161 bonds (distance) P-C4' energy: -61.521 flat angles C4'-P-C4' energy: -62.902 flat angles P-C4'-P energy: -30.586 tors. eta vs tors. theta energy: -73.927 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: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -791.797588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.797588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.797588 (E_RNA) where: Base-Base interactions energy: -524.002 where: short stacking energy: -238.662 Base-Backbone interact. energy: -0.772 local terms energy: -267.023453 where: bonds (distance) C4'-P energy: -55.991 bonds (distance) P-C4' energy: -50.022 flat angles C4'-P-C4' energy: -63.454 flat angles P-C4'-P energy: -30.276 tors. eta vs tors. theta energy: -67.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -636.372054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.372054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.372054 (E_RNA) where: Base-Base interactions energy: -404.169 where: short stacking energy: -183.213 Base-Backbone interact. energy: 1.634 local terms energy: -233.836822 where: bonds (distance) C4'-P energy: -53.761 bonds (distance) P-C4' energy: -61.526 flat angles C4'-P-C4' energy: -55.377 flat angles P-C4'-P energy: -37.511 tors. eta vs tors. theta energy: -25.661 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: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -561.217472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.217472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.217472 (E_RNA) where: Base-Base interactions energy: -345.087 where: short stacking energy: -150.742 Base-Backbone interact. energy: -0.006 local terms energy: -216.124116 where: bonds (distance) C4'-P energy: -56.024 bonds (distance) P-C4' energy: -51.775 flat angles C4'-P-C4' energy: -51.815 flat angles P-C4'-P energy: -35.217 tors. eta vs tors. theta energy: -21.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -483.791533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.791533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.791533 (E_RNA) where: Base-Base interactions energy: -256.013 where: short stacking energy: -149.440 Base-Backbone interact. energy: -1.468 local terms energy: -226.310611 where: bonds (distance) C4'-P energy: -59.433 bonds (distance) P-C4' energy: -57.865 flat angles C4'-P-C4' energy: -46.267 flat angles P-C4'-P energy: -36.053 tors. eta vs tors. theta energy: -26.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -466.290740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.290740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.290740 (E_RNA) where: Base-Base interactions energy: -241.111 where: short stacking energy: -131.916 Base-Backbone interact. energy: 1.534 local terms energy: -226.713148 where: bonds (distance) C4'-P energy: -59.649 bonds (distance) P-C4' energy: -55.038 flat angles C4'-P-C4' energy: -55.817 flat angles P-C4'-P energy: -31.574 tors. eta vs tors. theta energy: -24.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -252.552369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.552369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.552369 (E_RNA) where: Base-Base interactions energy: -93.121 where: short stacking energy: -73.827 Base-Backbone interact. energy: -1.326 local terms energy: -158.104803 where: bonds (distance) C4'-P energy: -41.361 bonds (distance) P-C4' energy: -69.026 flat angles C4'-P-C4' energy: -29.099 flat angles P-C4'-P energy: -25.149 tors. eta vs tors. theta energy: 6.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1107.147348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.147348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.147348 (E_RNA) where: Base-Base interactions energy: -751.919 where: short stacking energy: -311.956 Base-Backbone interact. energy: -0.554 local terms energy: -354.674046 where: bonds (distance) C4'-P energy: -62.496 bonds (distance) P-C4' energy: -66.252 flat angles C4'-P-C4' energy: -72.998 flat angles P-C4'-P energy: -57.057 tors. eta vs tors. theta energy: -95.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1033.038876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.038876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.038876 (E_RNA) where: Base-Base interactions energy: -699.608 where: short stacking energy: -314.902 Base-Backbone interact. energy: 0.282 local terms energy: -333.713219 where: bonds (distance) C4'-P energy: -60.240 bonds (distance) P-C4' energy: -61.195 flat angles C4'-P-C4' energy: -66.509 flat angles P-C4'-P energy: -52.318 tors. eta vs tors. theta energy: -93.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -980.247830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.247830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.247830 (E_RNA) where: Base-Base interactions energy: -657.228 where: short stacking energy: -296.258 Base-Backbone interact. energy: -0.854 local terms energy: -322.165647 where: bonds (distance) C4'-P energy: -58.780 bonds (distance) P-C4' energy: -61.787 flat angles C4'-P-C4' energy: -67.824 flat angles P-C4'-P energy: -47.017 tors. eta vs tors. theta energy: -86.758 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: 4, replica: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -918.350052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.350052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.350052 (E_RNA) where: Base-Base interactions energy: -623.469 where: short stacking energy: -244.757 Base-Backbone interact. energy: -3.320 local terms energy: -291.561120 where: bonds (distance) C4'-P energy: -52.227 bonds (distance) P-C4' energy: -62.895 flat angles C4'-P-C4' energy: -62.928 flat angles P-C4'-P energy: -41.967 tors. eta vs tors. theta energy: -71.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -777.941890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.941890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.941890 (E_RNA) where: Base-Base interactions energy: -522.327 where: short stacking energy: -234.523 Base-Backbone interact. energy: -1.512 local terms energy: -254.102452 where: bonds (distance) C4'-P energy: -53.681 bonds (distance) P-C4' energy: -47.629 flat angles C4'-P-C4' energy: -49.617 flat angles P-C4'-P energy: -44.689 tors. eta vs tors. theta energy: -58.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -599.873350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.873350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.873350 (E_RNA) where: Base-Base interactions energy: -343.040 where: short stacking energy: -172.827 Base-Backbone interact. energy: -1.028 local terms energy: -255.805578 where: bonds (distance) C4'-P energy: -54.406 bonds (distance) P-C4' energy: -60.587 flat angles C4'-P-C4' energy: -62.680 flat angles P-C4'-P energy: -39.159 tors. eta vs tors. theta energy: -38.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -571.656252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.656252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.656252 (E_RNA) where: Base-Base interactions energy: -330.055 where: short stacking energy: -166.857 Base-Backbone interact. energy: -0.157 local terms energy: -241.444451 where: bonds (distance) C4'-P energy: -49.787 bonds (distance) P-C4' energy: -52.216 flat angles C4'-P-C4' energy: -54.275 flat angles P-C4'-P energy: -44.440 tors. eta vs tors. theta energy: -40.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -474.349252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.349252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.349252 (E_RNA) where: Base-Base interactions energy: -267.949 where: short stacking energy: -119.423 Base-Backbone interact. energy: 0.559 local terms energy: -206.958403 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -52.407 flat angles C4'-P-C4' energy: -49.196 flat angles P-C4'-P energy: -29.865 tors. eta vs tors. theta energy: -14.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -465.560051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.560051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.560051 (E_RNA) where: Base-Base interactions energy: -249.323 where: short stacking energy: -135.428 Base-Backbone interact. energy: -0.430 local terms energy: -215.807124 where: bonds (distance) C4'-P energy: -57.743 bonds (distance) P-C4' energy: -50.339 flat angles C4'-P-C4' energy: -43.025 flat angles P-C4'-P energy: -41.074 tors. eta vs tors. theta energy: -23.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -256.069997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.069997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.069997 (E_RNA) where: Base-Base interactions energy: -80.151 where: short stacking energy: -69.903 Base-Backbone interact. energy: 0.287 local terms energy: -176.205908 where: bonds (distance) C4'-P energy: -61.827 bonds (distance) P-C4' energy: -47.420 flat angles C4'-P-C4' energy: -49.796 flat angles P-C4'-P energy: -24.691 tors. eta vs tors. theta energy: 7.527 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: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1099.053625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.053625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.053625 (E_RNA) where: Base-Base interactions energy: -748.173 where: short stacking energy: -323.568 Base-Backbone interact. energy: -2.029 local terms energy: -348.851569 where: bonds (distance) C4'-P energy: -66.564 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -72.472 flat angles P-C4'-P energy: -46.232 tors. eta vs tors. theta energy: -99.387 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: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1019.549510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.549510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.549510 (E_RNA) where: Base-Base interactions energy: -697.926 where: short stacking energy: -295.125 Base-Backbone interact. energy: -1.162 local terms energy: -320.461386 where: bonds (distance) C4'-P energy: -63.258 bonds (distance) P-C4' energy: -59.427 flat angles C4'-P-C4' energy: -65.707 flat angles P-C4'-P energy: -46.405 tors. eta vs tors. theta energy: -85.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -938.841220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.841220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.841220 (E_RNA) where: Base-Base interactions energy: -665.117 where: short stacking energy: -254.960 Base-Backbone interact. energy: -2.249 local terms energy: -271.475549 where: bonds (distance) C4'-P energy: -58.370 bonds (distance) P-C4' energy: -55.203 flat angles C4'-P-C4' energy: -58.539 flat angles P-C4'-P energy: -33.324 tors. eta vs tors. theta energy: -66.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -971.420586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.420586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.420586 (E_RNA) where: Base-Base interactions energy: -652.461 where: short stacking energy: -295.121 Base-Backbone interact. energy: -0.674 local terms energy: -318.286156 where: bonds (distance) C4'-P energy: -53.116 bonds (distance) P-C4' energy: -62.212 flat angles C4'-P-C4' energy: -62.417 flat angles P-C4'-P energy: -49.625 tors. eta vs tors. theta energy: -90.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -776.178137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.178137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.178137 (E_RNA) where: Base-Base interactions energy: -496.299 where: short stacking energy: -225.577 Base-Backbone interact. energy: -0.376 local terms energy: -279.503339 where: bonds (distance) C4'-P energy: -56.080 bonds (distance) P-C4' energy: -49.599 flat angles C4'-P-C4' energy: -66.644 flat angles P-C4'-P energy: -44.434 tors. eta vs tors. theta energy: -62.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -600.857244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.857244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.857244 (E_RNA) where: Base-Base interactions energy: -369.784 where: short stacking energy: -190.306 Base-Backbone interact. energy: -0.606 local terms energy: -230.467414 where: bonds (distance) C4'-P energy: -48.674 bonds (distance) P-C4' energy: -43.657 flat angles C4'-P-C4' energy: -58.634 flat angles P-C4'-P energy: -38.115 tors. eta vs tors. theta energy: -41.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -556.017426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.017426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.017426 (E_RNA) where: Base-Base interactions energy: -336.206 where: short stacking energy: -153.368 Base-Backbone interact. energy: -1.411 local terms energy: -218.400332 where: bonds (distance) C4'-P energy: -56.586 bonds (distance) P-C4' energy: -56.420 flat angles C4'-P-C4' energy: -44.748 flat angles P-C4'-P energy: -35.048 tors. eta vs tors. theta energy: -25.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -491.817788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.817788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.817788 (E_RNA) where: Base-Base interactions energy: -256.408 where: short stacking energy: -121.489 Base-Backbone interact. energy: -2.257 local terms energy: -233.152752 where: bonds (distance) C4'-P energy: -57.479 bonds (distance) P-C4' energy: -55.576 flat angles C4'-P-C4' energy: -61.389 flat angles P-C4'-P energy: -40.842 tors. eta vs tors. theta energy: -17.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -456.047128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.047128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.047128 (E_RNA) where: Base-Base interactions energy: -256.717 where: short stacking energy: -117.731 Base-Backbone interact. energy: -0.313 local terms energy: -199.017087 where: bonds (distance) C4'-P energy: -46.074 bonds (distance) P-C4' energy: -50.296 flat angles C4'-P-C4' energy: -50.917 flat angles P-C4'-P energy: -21.718 tors. eta vs tors. theta energy: -30.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -264.466462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.466462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.466462 (E_RNA) where: Base-Base interactions energy: -99.431 where: short stacking energy: -87.510 Base-Backbone interact. energy: -1.085 local terms energy: -163.950565 where: bonds (distance) C4'-P energy: -40.571 bonds (distance) P-C4' energy: -51.434 flat angles C4'-P-C4' energy: -32.199 flat angles P-C4'-P energy: -30.471 tors. eta vs tors. theta energy: -9.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1093.152884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.152884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.152884 (E_RNA) where: Base-Base interactions energy: -770.846 where: short stacking energy: -314.318 Base-Backbone interact. energy: -0.199 local terms energy: -322.108352 where: bonds (distance) C4'-P energy: -56.525 bonds (distance) P-C4' energy: -54.554 flat angles C4'-P-C4' energy: -65.453 flat angles P-C4'-P energy: -47.709 tors. eta vs tors. theta energy: -97.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1022.766354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.766354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.766354 (E_RNA) where: Base-Base interactions energy: -694.222 where: short stacking energy: -302.073 Base-Backbone interact. energy: -0.410 local terms energy: -328.134958 where: bonds (distance) C4'-P energy: -54.437 bonds (distance) P-C4' energy: -62.999 flat angles C4'-P-C4' energy: -68.829 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -90.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -934.678937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.678937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.678937 (E_RNA) where: Base-Base interactions energy: -626.403 where: short stacking energy: -267.143 Base-Backbone interact. energy: -0.563 local terms energy: -307.713255 where: bonds (distance) C4'-P energy: -62.436 bonds (distance) P-C4' energy: -61.115 flat angles C4'-P-C4' energy: -60.186 flat angles P-C4'-P energy: -40.127 tors. eta vs tors. theta energy: -83.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -967.435275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.435275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.435275 (E_RNA) where: Base-Base interactions energy: -641.237 where: short stacking energy: -283.782 Base-Backbone interact. energy: -1.050 local terms energy: -325.148482 where: bonds (distance) C4'-P energy: -56.865 bonds (distance) P-C4' energy: -54.691 flat angles C4'-P-C4' energy: -71.772 flat angles P-C4'-P energy: -49.555 tors. eta vs tors. theta energy: -92.266 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: 5, replica: 1 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -773.751225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.751225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.751225 (E_RNA) where: Base-Base interactions energy: -513.791 where: short stacking energy: -211.231 Base-Backbone interact. energy: -1.970 local terms energy: -257.990907 where: bonds (distance) C4'-P energy: -55.546 bonds (distance) P-C4' energy: -58.102 flat angles C4'-P-C4' energy: -60.424 flat angles P-C4'-P energy: -36.465 tors. eta vs tors. theta energy: -47.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -634.476524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.476524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.476524 (E_RNA) where: Base-Base interactions energy: -377.458 where: short stacking energy: -187.169 Base-Backbone interact. energy: -1.199 local terms energy: -255.819702 where: bonds (distance) C4'-P energy: -57.434 bonds (distance) P-C4' energy: -53.098 flat angles C4'-P-C4' energy: -61.689 flat angles P-C4'-P energy: -37.803 tors. eta vs tors. theta energy: -45.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -563.942746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.942746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.942746 (E_RNA) where: Base-Base interactions energy: -332.509 where: short stacking energy: -155.917 Base-Backbone interact. energy: -0.618 local terms energy: -230.815781 where: bonds (distance) C4'-P energy: -49.403 bonds (distance) P-C4' energy: -54.623 flat angles C4'-P-C4' energy: -60.974 flat angles P-C4'-P energy: -32.587 tors. eta vs tors. theta energy: -33.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -507.891548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.891548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.891548 (E_RNA) where: Base-Base interactions energy: -265.125 where: short stacking energy: -148.534 Base-Backbone interact. energy: -2.675 local terms energy: -240.091289 where: bonds (distance) C4'-P energy: -54.756 bonds (distance) P-C4' energy: -65.724 flat angles C4'-P-C4' energy: -52.910 flat angles P-C4'-P energy: -38.567 tors. eta vs tors. theta energy: -28.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -451.109426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.109426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.109426 (E_RNA) where: Base-Base interactions energy: -251.439 where: short stacking energy: -138.865 Base-Backbone interact. energy: -0.469 local terms energy: -199.201371 where: bonds (distance) C4'-P energy: -48.274 bonds (distance) P-C4' energy: -49.287 flat angles C4'-P-C4' energy: -49.521 flat angles P-C4'-P energy: -27.823 tors. eta vs tors. theta energy: -24.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -256.095658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.095658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.095658 (E_RNA) where: Base-Base interactions energy: -91.266 where: short stacking energy: -75.369 Base-Backbone interact. energy: -0.182 local terms energy: -164.647590 where: bonds (distance) C4'-P energy: -53.055 bonds (distance) P-C4' energy: -55.632 flat angles C4'-P-C4' energy: -45.078 flat angles P-C4'-P energy: -18.947 tors. eta vs tors. theta energy: 8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1105.895418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.895418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.895418 (E_RNA) where: Base-Base interactions energy: -758.916 where: short stacking energy: -319.366 Base-Backbone interact. energy: -2.083 local terms energy: -344.897334 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -62.466 flat angles C4'-P-C4' energy: -74.564 flat angles P-C4'-P energy: -52.285 tors. eta vs tors. theta energy: -92.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1032.691162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.691162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.691162 (E_RNA) where: Base-Base interactions energy: -695.902 where: short stacking energy: -308.043 Base-Backbone interact. energy: -0.432 local terms energy: -336.357675 where: bonds (distance) C4'-P energy: -66.183 bonds (distance) P-C4' energy: -59.009 flat angles C4'-P-C4' energy: -66.236 flat angles P-C4'-P energy: -49.852 tors. eta vs tors. theta energy: -95.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -980.511572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.511572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.511572 (E_RNA) where: Base-Base interactions energy: -645.347 where: short stacking energy: -295.178 Base-Backbone interact. energy: -0.968 local terms energy: -334.196987 where: bonds (distance) C4'-P energy: -61.556 bonds (distance) P-C4' energy: -66.024 flat angles C4'-P-C4' energy: -63.873 flat angles P-C4'-P energy: -49.261 tors. eta vs tors. theta energy: -93.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -877.920215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.920215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.920215 (E_RNA) where: Base-Base interactions energy: -602.396 where: short stacking energy: -209.791 Base-Backbone interact. energy: -0.598 local terms energy: -274.926551 where: bonds (distance) C4'-P energy: -51.590 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -65.060 flat angles P-C4'-P energy: -41.164 tors. eta vs tors. theta energy: -55.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -786.564013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.564013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.564013 (E_RNA) where: Base-Base interactions energy: -517.637 where: short stacking energy: -218.782 Base-Backbone interact. energy: 1.631 local terms energy: -270.557831 where: bonds (distance) C4'-P energy: -62.672 bonds (distance) P-C4' energy: -50.955 flat angles C4'-P-C4' energy: -54.308 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: -57.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -626.795874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.795874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.795874 (E_RNA) where: Base-Base interactions energy: -373.221 where: short stacking energy: -179.690 Base-Backbone interact. energy: -0.869 local terms energy: -252.705301 where: bonds (distance) C4'-P energy: -64.926 bonds (distance) P-C4' energy: -50.310 flat angles C4'-P-C4' energy: -62.264 flat angles P-C4'-P energy: -32.246 tors. eta vs tors. theta energy: -42.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -504.382510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.382510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.382510 (E_RNA) where: Base-Base interactions energy: -276.731 where: short stacking energy: -132.320 Base-Backbone interact. energy: -1.043 local terms energy: -226.608638 where: bonds (distance) C4'-P energy: -50.706 bonds (distance) P-C4' energy: -58.602 flat angles C4'-P-C4' energy: -58.614 flat angles P-C4'-P energy: -36.109 tors. eta vs tors. theta energy: -22.578 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: 9 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -469.520708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.520708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.520708 (E_RNA) where: Base-Base interactions energy: -255.397 where: short stacking energy: -143.134 Base-Backbone interact. energy: -0.621 local terms energy: -213.502644 where: bonds (distance) C4'-P energy: -42.757 bonds (distance) P-C4' energy: -47.677 flat angles C4'-P-C4' energy: -53.089 flat angles P-C4'-P energy: -48.489 tors. eta vs tors. theta energy: -21.490 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: 6 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -449.097697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.097697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.097697 (E_RNA) where: Base-Base interactions energy: -240.692 where: short stacking energy: -120.911 Base-Backbone interact. energy: 0.970 local terms energy: -209.376489 where: bonds (distance) C4'-P energy: -48.797 bonds (distance) P-C4' energy: -67.423 flat angles C4'-P-C4' energy: -48.281 flat angles P-C4'-P energy: -23.988 tors. eta vs tors. theta energy: -20.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -262.984522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.984522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.984522 (E_RNA) where: Base-Base interactions energy: -93.634 where: short stacking energy: -75.639 Base-Backbone interact. energy: -1.927 local terms energy: -167.423750 where: bonds (distance) C4'-P energy: -54.250 bonds (distance) P-C4' energy: -45.669 flat angles C4'-P-C4' energy: -57.453 flat angles P-C4'-P energy: -21.571 tors. eta vs tors. theta energy: 11.520 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: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1063.702582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.702582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.702582 (E_RNA) where: Base-Base interactions energy: -716.448 where: short stacking energy: -299.398 Base-Backbone interact. energy: -3.209 local terms energy: -344.044874 where: bonds (distance) C4'-P energy: -62.953 bonds (distance) P-C4' energy: -65.978 flat angles C4'-P-C4' energy: -69.565 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -97.875 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: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -985.584135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.584135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.584135 (E_RNA) where: Base-Base interactions energy: -651.479 where: short stacking energy: -312.060 Base-Backbone interact. energy: -0.662 local terms energy: -333.443058 where: bonds (distance) C4'-P energy: -62.312 bonds (distance) P-C4' energy: -54.195 flat angles C4'-P-C4' energy: -72.246 flat angles P-C4'-P energy: -55.084 tors. eta vs tors. theta energy: -89.606 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: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1003.405522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.405522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.405522 (E_RNA) where: Base-Base interactions energy: -696.579 where: short stacking energy: -288.918 Base-Backbone interact. energy: -1.559 local terms energy: -305.267736 where: bonds (distance) C4'-P energy: -56.277 bonds (distance) P-C4' energy: -44.363 flat angles C4'-P-C4' energy: -72.685 flat angles P-C4'-P energy: -41.955 tors. eta vs tors. theta energy: -89.988 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: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -904.922067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.922067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.922067 (E_RNA) where: Base-Base interactions energy: -602.743 where: short stacking energy: -243.216 Base-Backbone interact. energy: 1.186 local terms energy: -303.364735 where: bonds (distance) C4'-P energy: -53.428 bonds (distance) P-C4' energy: -58.447 flat angles C4'-P-C4' energy: -74.018 flat angles P-C4'-P energy: -41.347 tors. eta vs tors. theta energy: -76.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -787.402979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.402979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.402979 (E_RNA) where: Base-Base interactions energy: -489.170 where: short stacking energy: -217.680 Base-Backbone interact. energy: -0.966 local terms energy: -297.267437 where: bonds (distance) C4'-P energy: -60.873 bonds (distance) P-C4' energy: -59.467 flat angles C4'-P-C4' energy: -59.364 flat angles P-C4'-P energy: -46.996 tors. eta vs tors. theta energy: -70.567 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -521.724906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.724906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.724906 (E_RNA) where: Base-Base interactions energy: -279.510 where: short stacking energy: -138.391 Base-Backbone interact. energy: -2.505 local terms energy: -239.710602 where: bonds (distance) C4'-P energy: -47.533 bonds (distance) P-C4' energy: -72.832 flat angles C4'-P-C4' energy: -57.417 flat angles P-C4'-P energy: -38.045 tors. eta vs tors. theta energy: -23.883 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: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -629.034012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.034012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.034012 (E_RNA) where: Base-Base interactions energy: -390.364 where: short stacking energy: -193.249 Base-Backbone interact. energy: -0.780 local terms energy: -237.890221 where: bonds (distance) C4'-P energy: -54.713 bonds (distance) P-C4' energy: -61.810 flat angles C4'-P-C4' energy: -59.810 flat angles P-C4'-P energy: -24.442 tors. eta vs tors. theta energy: -37.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -486.709446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.709446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.709446 (E_RNA) where: Base-Base interactions energy: -285.129 where: short stacking energy: -155.352 Base-Backbone interact. energy: -0.878 local terms energy: -200.702257 where: bonds (distance) C4'-P energy: -45.472 bonds (distance) P-C4' energy: -57.470 flat angles C4'-P-C4' energy: -56.688 flat angles P-C4'-P energy: -17.852 tors. eta vs tors. theta energy: -23.221 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: 267 Temperature: 1.300000 Total energy: -474.215178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.215178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.215178 (E_RNA) where: Base-Base interactions energy: -277.184 where: short stacking energy: -109.297 Base-Backbone interact. energy: 7.068 local terms energy: -204.099279 where: bonds (distance) C4'-P energy: -45.665 bonds (distance) P-C4' energy: -60.926 flat angles C4'-P-C4' energy: -55.273 flat angles P-C4'-P energy: -35.383 tors. eta vs tors. theta energy: -6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -255.824489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.824489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.824489 (E_RNA) where: Base-Base interactions energy: -102.916 where: short stacking energy: -74.556 Base-Backbone interact. energy: 2.327 local terms energy: -155.235346 where: bonds (distance) C4'-P energy: -48.696 bonds (distance) P-C4' energy: -54.053 flat angles C4'-P-C4' energy: -50.379 flat angles P-C4'-P energy: -13.553 tors. eta vs tors. theta energy: 11.446 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: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1085.798647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.798647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.798647 (E_RNA) where: Base-Base interactions energy: -737.508 where: short stacking energy: -314.100 Base-Backbone interact. energy: -1.451 local terms energy: -346.840444 where: bonds (distance) C4'-P energy: -65.213 bonds (distance) P-C4' energy: -61.028 flat angles C4'-P-C4' energy: -70.683 flat angles P-C4'-P energy: -50.630 tors. eta vs tors. theta energy: -99.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1003.514933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.514933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.514933 (E_RNA) where: Base-Base interactions energy: -677.689 where: short stacking energy: -298.039 Base-Backbone interact. energy: -0.382 local terms energy: -325.444272 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -61.876 flat angles C4'-P-C4' energy: -65.650 flat angles P-C4'-P energy: -45.499 tors. eta vs tors. theta energy: -91.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1015.156721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.156721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.156721 (E_RNA) where: Base-Base interactions energy: -687.641 where: short stacking energy: -305.110 Base-Backbone interact. energy: -0.635 local terms energy: -326.880361 where: bonds (distance) C4'-P energy: -54.892 bonds (distance) P-C4' energy: -60.272 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -51.017 tors. eta vs tors. theta energy: -94.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -899.772661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.772661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.772661 (E_RNA) where: Base-Base interactions energy: -615.232 where: short stacking energy: -252.416 Base-Backbone interact. energy: -0.421 local terms energy: -284.120176 where: bonds (distance) C4'-P energy: -47.631 bonds (distance) P-C4' energy: -58.250 flat angles C4'-P-C4' energy: -67.515 flat angles P-C4'-P energy: -42.950 tors. eta vs tors. theta energy: -67.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -793.814101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.814101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.814101 (E_RNA) where: Base-Base interactions energy: -510.636 where: short stacking energy: -217.842 Base-Backbone interact. energy: -3.767 local terms energy: -279.411723 where: bonds (distance) C4'-P energy: -47.284 bonds (distance) P-C4' energy: -67.272 flat angles C4'-P-C4' energy: -65.522 flat angles P-C4'-P energy: -38.387 tors. eta vs tors. theta energy: -60.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -549.636217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.636217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.636217 (E_RNA) where: Base-Base interactions energy: -310.806 where: short stacking energy: -156.597 Base-Backbone interact. energy: 0.427 local terms energy: -239.257373 where: bonds (distance) C4'-P energy: -59.887 bonds (distance) P-C4' energy: -55.516 flat angles C4'-P-C4' energy: -49.415 flat angles P-C4'-P energy: -42.017 tors. eta vs tors. theta energy: -32.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -592.466059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.466059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.466059 (E_RNA) where: Base-Base interactions energy: -361.190 where: short stacking energy: -173.035 Base-Backbone interact. energy: 1.351 local terms energy: -232.626417 where: bonds (distance) C4'-P energy: -47.990 bonds (distance) P-C4' energy: -57.865 flat angles C4'-P-C4' energy: -55.993 flat angles P-C4'-P energy: -30.465 tors. eta vs tors. theta energy: -40.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -494.436293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.436293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.436293 (E_RNA) where: Base-Base interactions energy: -256.271 where: short stacking energy: -143.731 Base-Backbone interact. energy: 1.931 local terms energy: -240.096144 where: bonds (distance) C4'-P energy: -60.689 bonds (distance) P-C4' energy: -51.138 flat angles C4'-P-C4' energy: -64.158 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -22.771 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: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -476.342187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.342187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.342187 (E_RNA) where: Base-Base interactions energy: -248.986 where: short stacking energy: -129.237 Base-Backbone interact. energy: 0.103 local terms energy: -227.459714 where: bonds (distance) C4'-P energy: -51.243 bonds (distance) P-C4' energy: -63.002 flat angles C4'-P-C4' energy: -53.555 flat angles P-C4'-P energy: -36.437 tors. eta vs tors. theta energy: -23.223 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: 3 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -245.421380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.421380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.421380 (E_RNA) where: Base-Base interactions energy: -76.545 where: short stacking energy: -62.109 Base-Backbone interact. energy: 1.510 local terms energy: -170.385949 where: bonds (distance) C4'-P energy: -56.360 bonds (distance) P-C4' energy: -65.822 flat angles C4'-P-C4' energy: -40.295 flat angles P-C4'-P energy: -27.041 tors. eta vs tors. theta energy: 19.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1069.033656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.033656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.033656 (E_RNA) where: Base-Base interactions energy: -727.897 where: short stacking energy: -312.977 Base-Backbone interact. energy: -1.552 local terms energy: -339.584603 where: bonds (distance) C4'-P energy: -69.735 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -76.001 flat angles P-C4'-P energy: -43.569 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: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -983.699903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.699903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.699903 (E_RNA) where: Base-Base interactions energy: -650.739 where: short stacking energy: -286.465 Base-Backbone interact. energy: -1.695 local terms energy: -331.265475 where: bonds (distance) C4'-P energy: -59.419 bonds (distance) P-C4' energy: -64.779 flat angles C4'-P-C4' energy: -67.669 flat angles P-C4'-P energy: -50.185 tors. eta vs tors. theta energy: -89.214 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: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -983.568116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.568116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.568116 (E_RNA) where: Base-Base interactions energy: -654.517 where: short stacking energy: -296.077 Base-Backbone interact. energy: -0.046 local terms energy: -329.005837 where: bonds (distance) C4'-P energy: -58.384 bonds (distance) P-C4' energy: -60.183 flat angles C4'-P-C4' energy: -66.822 flat angles P-C4'-P energy: -49.456 tors. eta vs tors. theta energy: -94.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -941.689959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.689959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.689959 (E_RNA) where: Base-Base interactions energy: -648.228 where: short stacking energy: -239.686 Base-Backbone interact. energy: -4.058 local terms energy: -289.404214 where: bonds (distance) C4'-P energy: -48.134 bonds (distance) P-C4' energy: -62.764 flat angles C4'-P-C4' energy: -61.865 flat angles P-C4'-P energy: -47.799 tors. eta vs tors. theta energy: -68.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -796.098882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.098882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.098882 (E_RNA) where: Base-Base interactions energy: -507.547 where: short stacking energy: -225.942 Base-Backbone interact. energy: -2.513 local terms energy: -286.038936 where: bonds (distance) C4'-P energy: -48.040 bonds (distance) P-C4' energy: -67.283 flat angles C4'-P-C4' energy: -63.868 flat angles P-C4'-P energy: -44.687 tors. eta vs tors. theta energy: -62.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -629.756547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.756547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.756547 (E_RNA) where: Base-Base interactions energy: -369.743 where: short stacking energy: -186.558 Base-Backbone interact. energy: -0.660 local terms energy: -259.353821 where: bonds (distance) C4'-P energy: -61.499 bonds (distance) P-C4' energy: -59.986 flat angles C4'-P-C4' energy: -58.297 flat angles P-C4'-P energy: -42.577 tors. eta vs tors. theta energy: -36.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -595.358228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.358228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.358228 (E_RNA) where: Base-Base interactions energy: -350.347 where: short stacking energy: -183.440 Base-Backbone interact. energy: -0.669 local terms energy: -244.343115 where: bonds (distance) C4'-P energy: -50.024 bonds (distance) P-C4' energy: -60.424 flat angles C4'-P-C4' energy: -59.055 flat angles P-C4'-P energy: -29.078 tors. eta vs tors. theta energy: -45.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -505.023877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.023877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.023877 (E_RNA) where: Base-Base interactions energy: -288.306 where: short stacking energy: -149.070 Base-Backbone interact. energy: 2.279 local terms energy: -218.996766 where: bonds (distance) C4'-P energy: -56.456 bonds (distance) P-C4' energy: -56.800 flat angles C4'-P-C4' energy: -38.318 flat angles P-C4'-P energy: -32.784 tors. eta vs tors. theta energy: -34.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -473.881839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.881839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.881839 (E_RNA) where: Base-Base interactions energy: -252.297 where: short stacking energy: -128.529 Base-Backbone interact. energy: -1.859 local terms energy: -219.725847 where: bonds (distance) C4'-P energy: -48.947 bonds (distance) P-C4' energy: -59.087 flat angles C4'-P-C4' energy: -56.346 flat angles P-C4'-P energy: -37.514 tors. eta vs tors. theta energy: -17.833 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: 3 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -267.115189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.115189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.115189 (E_RNA) where: Base-Base interactions energy: -106.908 where: short stacking energy: -92.840 Base-Backbone interact. energy: -0.986 local terms energy: -159.220742 where: bonds (distance) C4'-P energy: -51.353 bonds (distance) P-C4' energy: -45.551 flat angles C4'-P-C4' energy: -42.286 flat angles P-C4'-P energy: -18.937 tors. eta vs tors. theta energy: -1.094 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: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1089.934130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.934130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.934130 (E_RNA) where: Base-Base interactions energy: -757.079 where: short stacking energy: -306.953 Base-Backbone interact. energy: 4.800 local terms energy: -337.655627 where: bonds (distance) C4'-P energy: -58.294 bonds (distance) P-C4' energy: -66.661 flat angles C4'-P-C4' energy: -70.310 flat angles P-C4'-P energy: -42.665 tors. eta vs tors. theta energy: -99.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1010.709562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.709562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.709562 (E_RNA) where: Base-Base interactions energy: -684.841 where: short stacking energy: -297.996 Base-Backbone interact. energy: 2.118 local terms energy: -327.986925 where: bonds (distance) C4'-P energy: -55.107 bonds (distance) P-C4' energy: -64.255 flat angles C4'-P-C4' energy: -65.170 flat angles P-C4'-P energy: -52.272 tors. eta vs tors. theta energy: -91.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1008.239635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.239635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.239635 (E_RNA) where: Base-Base interactions energy: -679.721 where: short stacking energy: -315.080 Base-Backbone interact. energy: -0.350 local terms energy: -328.169014 where: bonds (distance) C4'-P energy: -58.201 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -74.982 flat angles P-C4'-P energy: -41.953 tors. eta vs tors. theta energy: -92.967 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: 4, replica: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -932.338130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.338130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.338130 (E_RNA) where: Base-Base interactions energy: -626.933 where: short stacking energy: -258.027 Base-Backbone interact. energy: 0.912 local terms energy: -306.317535 where: bonds (distance) C4'-P energy: -55.928 bonds (distance) P-C4' energy: -66.956 flat angles C4'-P-C4' energy: -67.163 flat angles P-C4'-P energy: -43.873 tors. eta vs tors. theta energy: -72.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -820.703467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.703467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.703467 (E_RNA) where: Base-Base interactions energy: -543.298 where: short stacking energy: -238.379 Base-Backbone interact. energy: -1.004 local terms energy: -276.401423 where: bonds (distance) C4'-P energy: -60.844 bonds (distance) P-C4' energy: -63.205 flat angles C4'-P-C4' energy: -58.467 flat angles P-C4'-P energy: -25.794 tors. eta vs tors. theta energy: -68.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -607.473702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.473702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.473702 (E_RNA) where: Base-Base interactions energy: -346.205 where: short stacking energy: -184.145 Base-Backbone interact. energy: -0.548 local terms energy: -260.720753 where: bonds (distance) C4'-P energy: -58.112 bonds (distance) P-C4' energy: -51.065 flat angles C4'-P-C4' energy: -66.453 flat angles P-C4'-P energy: -42.055 tors. eta vs tors. theta energy: -43.036 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: 270 Temperature: 1.200000 Total energy: -569.868938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.868938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.868938 (E_RNA) where: Base-Base interactions energy: -338.311 where: short stacking energy: -169.931 Base-Backbone interact. energy: -1.625 local terms energy: -229.933202 where: bonds (distance) C4'-P energy: -46.888 bonds (distance) P-C4' energy: -65.509 flat angles C4'-P-C4' energy: -46.188 flat angles P-C4'-P energy: -40.576 tors. eta vs tors. theta energy: -30.773 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: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -476.621850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.621850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.621850 (E_RNA) where: Base-Base interactions energy: -252.418 where: short stacking energy: -144.831 Base-Backbone interact. energy: 3.862 local terms energy: -228.065544 where: bonds (distance) C4'-P energy: -58.201 bonds (distance) P-C4' energy: -61.430 flat angles C4'-P-C4' energy: -61.556 flat angles P-C4'-P energy: -19.826 tors. eta vs tors. theta energy: -27.052 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: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -436.045857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.045857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.045857 (E_RNA) where: Base-Base interactions energy: -251.429 where: short stacking energy: -119.191 Base-Backbone interact. energy: 4.065 local terms energy: -188.681625 where: bonds (distance) C4'-P energy: -49.533 bonds (distance) P-C4' energy: -60.785 flat angles C4'-P-C4' energy: -41.807 flat angles P-C4'-P energy: -28.650 tors. eta vs tors. theta energy: -7.906 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: 3 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -277.246503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.246503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.246503 (E_RNA) where: Base-Base interactions energy: -94.499 where: short stacking energy: -79.634 Base-Backbone interact. energy: -0.952 local terms energy: -181.795691 where: bonds (distance) C4'-P energy: -52.004 bonds (distance) P-C4' energy: -52.666 flat angles C4'-P-C4' energy: -50.414 flat angles P-C4'-P energy: -28.778 tors. eta vs tors. theta energy: 2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1083.615403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.615403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.615403 (E_RNA) where: Base-Base interactions energy: -730.612 where: short stacking energy: -313.818 Base-Backbone interact. energy: -2.611 local terms energy: -350.392852 where: bonds (distance) C4'-P energy: -54.958 bonds (distance) P-C4' energy: -63.595 flat angles C4'-P-C4' energy: -75.648 flat angles P-C4'-P energy: -51.490 tors. eta vs tors. theta energy: -104.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1012.795550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.795550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.795550 (E_RNA) where: Base-Base interactions energy: -680.006 where: short stacking energy: -293.685 Base-Backbone interact. energy: -0.190 local terms energy: -332.599463 where: bonds (distance) C4'-P energy: -71.194 bonds (distance) P-C4' energy: -57.335 flat angles C4'-P-C4' energy: -69.550 flat angles P-C4'-P energy: -43.914 tors. eta vs tors. theta energy: -90.607 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: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -973.935769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.935769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.935769 (E_RNA) where: Base-Base interactions energy: -641.411 where: short stacking energy: -289.901 Base-Backbone interact. energy: -1.611 local terms energy: -330.913457 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -57.246 flat angles C4'-P-C4' energy: -69.147 flat angles P-C4'-P energy: -52.629 tors. eta vs tors. theta energy: -91.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -910.985922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.985922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.985922 (E_RNA) where: Base-Base interactions energy: -633.969 where: short stacking energy: -251.744 Base-Backbone interact. energy: -2.591 local terms energy: -274.425373 where: bonds (distance) C4'-P energy: -53.796 bonds (distance) P-C4' energy: -61.756 flat angles C4'-P-C4' energy: -55.089 flat angles P-C4'-P energy: -35.302 tors. eta vs tors. theta energy: -68.482 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: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -853.270511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.270511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.270511 (E_RNA) where: Base-Base interactions energy: -563.341 where: short stacking energy: -249.705 Base-Backbone interact. energy: -1.137 local terms energy: -288.792236 where: bonds (distance) C4'-P energy: -52.664 bonds (distance) P-C4' energy: -56.277 flat angles C4'-P-C4' energy: -67.859 flat angles P-C4'-P energy: -39.647 tors. eta vs tors. theta energy: -72.345 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: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -642.159128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.159128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.159128 (E_RNA) where: Base-Base interactions energy: -409.074 where: short stacking energy: -172.703 Base-Backbone interact. energy: -0.429 local terms energy: -232.656016 where: bonds (distance) C4'-P energy: -44.393 bonds (distance) P-C4' energy: -38.359 flat angles C4'-P-C4' energy: -60.496 flat angles P-C4'-P energy: -51.177 tors. eta vs tors. theta energy: -38.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -585.011497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.011497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.011497 (E_RNA) where: Base-Base interactions energy: -350.744 where: short stacking energy: -178.437 Base-Backbone interact. energy: -1.086 local terms energy: -233.181432 where: bonds (distance) C4'-P energy: -50.029 bonds (distance) P-C4' energy: -66.220 flat angles C4'-P-C4' energy: -52.291 flat angles P-C4'-P energy: -27.998 tors. eta vs tors. theta energy: -36.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -498.112825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.112825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.112825 (E_RNA) where: Base-Base interactions energy: -281.621 where: short stacking energy: -146.113 Base-Backbone interact. energy: -0.922 local terms energy: -215.569502 where: bonds (distance) C4'-P energy: -54.710 bonds (distance) P-C4' energy: -61.409 flat angles C4'-P-C4' energy: -47.123 flat angles P-C4'-P energy: -29.644 tors. eta vs tors. theta energy: -22.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -477.513661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.513661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.513661 (E_RNA) where: Base-Base interactions energy: -281.224 where: short stacking energy: -133.048 Base-Backbone interact. energy: 0.068 local terms energy: -196.358128 where: bonds (distance) C4'-P energy: -56.574 bonds (distance) P-C4' energy: -50.299 flat angles C4'-P-C4' energy: -30.894 flat angles P-C4'-P energy: -34.265 tors. eta vs tors. theta energy: -24.326 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: 3 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -244.850092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.850092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.850092 (E_RNA) where: Base-Base interactions energy: -82.876 where: short stacking energy: -67.213 Base-Backbone interact. energy: -1.174 local terms energy: -160.799799 where: bonds (distance) C4'-P energy: -36.258 bonds (distance) P-C4' energy: -61.271 flat angles C4'-P-C4' energy: -34.656 flat angles P-C4'-P energy: -29.126 tors. eta vs tors. theta energy: 0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1086.265416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.265416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.265416 (E_RNA) where: Base-Base interactions energy: -739.795 where: short stacking energy: -324.576 Base-Backbone interact. energy: -0.953 local terms energy: -345.517209 where: bonds (distance) C4'-P energy: -59.889 bonds (distance) P-C4' energy: -64.361 flat angles C4'-P-C4' energy: -68.305 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: -103.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1015.279115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.279115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.279115 (E_RNA) where: Base-Base interactions energy: -677.372 where: short stacking energy: -305.186 Base-Backbone interact. energy: 0.451 local terms energy: -338.357765 where: bonds (distance) C4'-P energy: -58.020 bonds (distance) P-C4' energy: -68.998 flat angles C4'-P-C4' energy: -67.454 flat angles P-C4'-P energy: -46.736 tors. eta vs tors. theta energy: -97.150 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: 272 Temperature: 1.000000 Total energy: -990.396647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.396647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.396647 (E_RNA) where: Base-Base interactions energy: -658.776 where: short stacking energy: -290.940 Base-Backbone interact. energy: -0.649 local terms energy: -330.971663 where: bonds (distance) C4'-P energy: -56.456 bonds (distance) P-C4' energy: -69.518 flat angles C4'-P-C4' energy: -66.575 flat angles P-C4'-P energy: -45.117 tors. eta vs tors. theta energy: -93.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -930.780661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.780661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.780661 (E_RNA) where: Base-Base interactions energy: -628.033 where: short stacking energy: -277.890 Base-Backbone interact. energy: 3.335 local terms energy: -306.082662 where: bonds (distance) C4'-P energy: -59.035 bonds (distance) P-C4' energy: -62.928 flat angles C4'-P-C4' energy: -63.188 flat angles P-C4'-P energy: -41.253 tors. eta vs tors. theta energy: -79.678 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: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -806.048260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.048260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.048260 (E_RNA) where: Base-Base interactions energy: -511.540 where: short stacking energy: -234.599 Base-Backbone interact. energy: -1.150 local terms energy: -293.358756 where: bonds (distance) C4'-P energy: -67.355 bonds (distance) P-C4' energy: -54.289 flat angles C4'-P-C4' energy: -54.664 flat angles P-C4'-P energy: -41.931 tors. eta vs tors. theta energy: -75.119 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: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -600.950989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.950989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.950989 (E_RNA) where: Base-Base interactions energy: -350.827 where: short stacking energy: -163.681 Base-Backbone interact. energy: -0.317 local terms energy: -249.806924 where: bonds (distance) C4'-P energy: -55.867 bonds (distance) P-C4' energy: -60.704 flat angles C4'-P-C4' energy: -53.458 flat angles P-C4'-P energy: -35.411 tors. eta vs tors. theta energy: -44.368 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: 7, replica: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -594.184340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.184340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.184340 (E_RNA) where: Base-Base interactions energy: -359.490 where: short stacking energy: -160.181 Base-Backbone interact. energy: -1.066 local terms energy: -233.628899 where: bonds (distance) C4'-P energy: -55.017 bonds (distance) P-C4' energy: -60.648 flat angles C4'-P-C4' energy: -56.309 flat angles P-C4'-P energy: -30.074 tors. eta vs tors. theta energy: -31.581 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: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -464.845643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.845643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.845643 (E_RNA) where: Base-Base interactions energy: -236.347 where: short stacking energy: -122.244 Base-Backbone interact. energy: 1.239 local terms energy: -229.737230 where: bonds (distance) C4'-P energy: -53.302 bonds (distance) P-C4' energy: -56.418 flat angles C4'-P-C4' energy: -57.059 flat angles P-C4'-P energy: -42.230 tors. eta vs tors. theta energy: -20.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -444.595907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.595907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.595907 (E_RNA) where: Base-Base interactions energy: -250.513 where: short stacking energy: -134.534 Base-Backbone interact. energy: -0.911 local terms energy: -193.171325 where: bonds (distance) C4'-P energy: -64.712 bonds (distance) P-C4' energy: -47.831 flat angles C4'-P-C4' energy: -42.001 flat angles P-C4'-P energy: -32.192 tors. eta vs tors. theta energy: -6.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -265.508700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.508700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.508700 (E_RNA) where: Base-Base interactions energy: -101.017 where: short stacking energy: -72.816 Base-Backbone interact. energy: -0.813 local terms energy: -163.679050 where: bonds (distance) C4'-P energy: -45.371 bonds (distance) P-C4' energy: -54.268 flat angles C4'-P-C4' energy: -46.187 flat angles P-C4'-P energy: -27.942 tors. eta vs tors. theta energy: 10.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1077.424887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.424887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.424887 (E_RNA) where: Base-Base interactions energy: -719.278 where: short stacking energy: -310.804 Base-Backbone interact. energy: -1.108 local terms energy: -357.038166 where: bonds (distance) C4'-P energy: -67.490 bonds (distance) P-C4' energy: -69.534 flat angles C4'-P-C4' energy: -76.760 flat angles P-C4'-P energy: -41.036 tors. eta vs tors. theta energy: -102.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1035.900492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.900492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.900492 (E_RNA) where: Base-Base interactions energy: -701.838 where: short stacking energy: -310.945 Base-Backbone interact. energy: 1.993 local terms energy: -336.055224 where: bonds (distance) C4'-P energy: -62.021 bonds (distance) P-C4' energy: -57.836 flat angles C4'-P-C4' energy: -74.289 flat angles P-C4'-P energy: -42.507 tors. eta vs tors. theta energy: -99.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -990.341189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.341189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.341189 (E_RNA) where: Base-Base interactions energy: -679.422 where: short stacking energy: -297.090 Base-Backbone interact. energy: -1.442 local terms energy: -309.476753 where: bonds (distance) C4'-P energy: -41.193 bonds (distance) P-C4' energy: -57.849 flat angles C4'-P-C4' energy: -65.911 flat angles P-C4'-P energy: -47.708 tors. eta vs tors. theta energy: -96.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -904.758691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.758691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.758691 (E_RNA) where: Base-Base interactions energy: -604.898 where: short stacking energy: -251.839 Base-Backbone interact. energy: -0.783 local terms energy: -299.077106 where: bonds (distance) C4'-P energy: -61.859 bonds (distance) P-C4' energy: -66.137 flat angles C4'-P-C4' energy: -63.729 flat angles P-C4'-P energy: -41.217 tors. eta vs tors. theta energy: -66.134 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: 1 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -801.057424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.057424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.057424 (E_RNA) where: Base-Base interactions energy: -519.264 where: short stacking energy: -231.819 Base-Backbone interact. energy: -0.700 local terms energy: -281.093747 where: bonds (distance) C4'-P energy: -57.290 bonds (distance) P-C4' energy: -62.799 flat angles C4'-P-C4' energy: -60.044 flat angles P-C4'-P energy: -31.124 tors. eta vs tors. theta energy: -69.837 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: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -640.289390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.289390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.289390 (E_RNA) where: Base-Base interactions energy: -405.670 where: short stacking energy: -182.498 Base-Backbone interact. energy: -2.654 local terms energy: -231.964855 where: bonds (distance) C4'-P energy: -51.498 bonds (distance) P-C4' energy: -53.682 flat angles C4'-P-C4' energy: -51.976 flat angles P-C4'-P energy: -30.811 tors. eta vs tors. theta energy: -43.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -580.946201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.946201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.946201 (E_RNA) where: Base-Base interactions energy: -349.430 where: short stacking energy: -180.952 Base-Backbone interact. energy: -0.687 local terms energy: -230.829043 where: bonds (distance) C4'-P energy: -59.871 bonds (distance) P-C4' energy: -47.412 flat angles C4'-P-C4' energy: -49.149 flat angles P-C4'-P energy: -33.579 tors. eta vs tors. theta energy: -40.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -487.686797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.686797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.686797 (E_RNA) where: Base-Base interactions energy: -273.852 where: short stacking energy: -122.179 Base-Backbone interact. energy: -0.873 local terms energy: -212.961792 where: bonds (distance) C4'-P energy: -60.232 bonds (distance) P-C4' energy: -57.842 flat angles C4'-P-C4' energy: -51.280 flat angles P-C4'-P energy: -24.700 tors. eta vs tors. theta energy: -18.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -465.894828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.894828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.894828 (E_RNA) where: Base-Base interactions energy: -264.197 where: short stacking energy: -127.658 Base-Backbone interact. energy: -0.172 local terms energy: -201.525808 where: bonds (distance) C4'-P energy: -42.681 bonds (distance) P-C4' energy: -60.907 flat angles C4'-P-C4' energy: -53.413 flat angles P-C4'-P energy: -28.920 tors. eta vs tors. theta energy: -15.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -273.050232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.050232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.050232 (E_RNA) where: Base-Base interactions energy: -110.510 where: short stacking energy: -88.147 Base-Backbone interact. energy: 1.127 local terms energy: -163.667621 where: bonds (distance) C4'-P energy: -47.721 bonds (distance) P-C4' energy: -43.281 flat angles C4'-P-C4' energy: -50.395 flat angles P-C4'-P energy: -24.070 tors. eta vs tors. theta energy: 1.799 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: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1070.132775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.132775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.132775 (E_RNA) where: Base-Base interactions energy: -725.744 where: short stacking energy: -310.716 Base-Backbone interact. energy: -0.974 local terms energy: -343.413956 where: bonds (distance) C4'-P energy: -66.096 bonds (distance) P-C4' energy: -57.548 flat angles C4'-P-C4' energy: -72.881 flat angles P-C4'-P energy: -51.849 tors. eta vs tors. theta energy: -95.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1033.723646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.723646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.723646 (E_RNA) where: Base-Base interactions energy: -708.168 where: short stacking energy: -296.393 Base-Backbone interact. energy: -1.593 local terms energy: -323.962665 where: bonds (distance) C4'-P energy: -62.808 bonds (distance) P-C4' energy: -59.503 flat angles C4'-P-C4' energy: -67.860 flat angles P-C4'-P energy: -43.280 tors. eta vs tors. theta energy: -90.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -992.253604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.253604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.253604 (E_RNA) where: Base-Base interactions energy: -671.690 where: short stacking energy: -286.550 Base-Backbone interact. energy: -1.867 local terms energy: -318.696748 where: bonds (distance) C4'-P energy: -58.592 bonds (distance) P-C4' energy: -58.826 flat angles C4'-P-C4' energy: -72.582 flat angles P-C4'-P energy: -45.062 tors. eta vs tors. theta energy: -83.635 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: 4, replica: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -897.410650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.410650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.410650 (E_RNA) where: Base-Base interactions energy: -596.295 where: short stacking energy: -241.630 Base-Backbone interact. energy: -1.340 local terms energy: -299.776426 where: bonds (distance) C4'-P energy: -62.081 bonds (distance) P-C4' energy: -62.413 flat angles C4'-P-C4' energy: -66.095 flat angles P-C4'-P energy: -39.213 tors. eta vs tors. theta energy: -69.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -817.663922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.663922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.663922 (E_RNA) where: Base-Base interactions energy: -528.115 where: short stacking energy: -260.388 Base-Backbone interact. energy: -1.539 local terms energy: -288.010151 where: bonds (distance) C4'-P energy: -54.216 bonds (distance) P-C4' energy: -57.405 flat angles C4'-P-C4' energy: -66.771 flat angles P-C4'-P energy: -39.101 tors. eta vs tors. theta energy: -70.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -660.150596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.150596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.150596 (E_RNA) where: Base-Base interactions energy: -394.372 where: short stacking energy: -191.312 Base-Backbone interact. energy: -1.957 local terms energy: -263.821409 where: bonds (distance) C4'-P energy: -59.648 bonds (distance) P-C4' energy: -56.311 flat angles C4'-P-C4' energy: -64.032 flat angles P-C4'-P energy: -39.213 tors. eta vs tors. theta energy: -44.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -566.464964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.464964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.464964 (E_RNA) where: Base-Base interactions energy: -328.865 where: short stacking energy: -144.055 Base-Backbone interact. energy: 1.653 local terms energy: -239.252723 where: bonds (distance) C4'-P energy: -54.887 bonds (distance) P-C4' energy: -57.999 flat angles C4'-P-C4' energy: -60.142 flat angles P-C4'-P energy: -38.124 tors. eta vs tors. theta energy: -28.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -477.949596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.949596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.949596 (E_RNA) where: Base-Base interactions energy: -239.961 where: short stacking energy: -132.949 Base-Backbone interact. energy: -1.809 local terms energy: -236.179768 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -57.327 flat angles C4'-P-C4' energy: -60.028 flat angles P-C4'-P energy: -36.025 tors. eta vs tors. theta energy: -25.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -457.939258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.939258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.939258 (E_RNA) where: Base-Base interactions energy: -255.927 where: short stacking energy: -127.960 Base-Backbone interact. energy: 0.753 local terms energy: -202.765511 where: bonds (distance) C4'-P energy: -46.370 bonds (distance) P-C4' energy: -57.571 flat angles C4'-P-C4' energy: -52.189 flat angles P-C4'-P energy: -26.722 tors. eta vs tors. theta energy: -19.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -265.971464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.971464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.971464 (E_RNA) where: Base-Base interactions energy: -106.713 where: short stacking energy: -89.810 Base-Backbone interact. energy: -1.035 local terms energy: -158.223474 where: bonds (distance) C4'-P energy: -55.863 bonds (distance) P-C4' energy: -50.306 flat angles C4'-P-C4' energy: -29.176 flat angles P-C4'-P energy: -26.023 tors. eta vs tors. theta energy: 3.145 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: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1081.841131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.841131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.841131 (E_RNA) where: Base-Base interactions energy: -728.377 where: short stacking energy: -306.440 Base-Backbone interact. energy: -2.052 local terms energy: -351.411860 where: bonds (distance) C4'-P energy: -67.404 bonds (distance) P-C4' energy: -67.536 flat angles C4'-P-C4' energy: -70.964 flat angles P-C4'-P energy: -48.683 tors. eta vs tors. theta energy: -96.824 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: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1010.686608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.686608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.686608 (E_RNA) where: Base-Base interactions energy: -668.246 where: short stacking energy: -297.031 Base-Backbone interact. energy: 1.307 local terms energy: -343.747850 where: bonds (distance) C4'-P energy: -67.825 bonds (distance) P-C4' energy: -60.711 flat angles C4'-P-C4' energy: -76.728 flat angles P-C4'-P energy: -42.478 tors. eta vs tors. theta energy: -96.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -987.587374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.587374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.587374 (E_RNA) where: Base-Base interactions energy: -672.394 where: short stacking energy: -283.515 Base-Backbone interact. energy: -0.251 local terms energy: -314.941938 where: bonds (distance) C4'-P energy: -59.272 bonds (distance) P-C4' energy: -61.709 flat angles C4'-P-C4' energy: -66.164 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -86.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -933.280032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.280032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.280032 (E_RNA) where: Base-Base interactions energy: -635.401 where: short stacking energy: -277.036 Base-Backbone interact. energy: -0.062 local terms energy: -297.817050 where: bonds (distance) C4'-P energy: -54.284 bonds (distance) P-C4' energy: -62.980 flat angles C4'-P-C4' energy: -63.784 flat angles P-C4'-P energy: -40.324 tors. eta vs tors. theta energy: -76.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -808.063838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.063838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.063838 (E_RNA) where: Base-Base interactions energy: -532.499 where: short stacking energy: -235.495 Base-Backbone interact. energy: -1.845 local terms energy: -273.719936 where: bonds (distance) C4'-P energy: -55.635 bonds (distance) P-C4' energy: -47.838 flat angles C4'-P-C4' energy: -65.489 flat angles P-C4'-P energy: -39.104 tors. eta vs tors. theta energy: -65.654 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: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -626.760737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.760737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.760737 (E_RNA) where: Base-Base interactions energy: -375.105 where: short stacking energy: -182.604 Base-Backbone interact. energy: -2.450 local terms energy: -249.205240 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -57.907 flat angles C4'-P-C4' energy: -53.280 flat angles P-C4'-P energy: -30.546 tors. eta vs tors. theta energy: -48.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -585.534761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.534761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.534761 (E_RNA) where: Base-Base interactions energy: -358.059 where: short stacking energy: -174.476 Base-Backbone interact. energy: -1.534 local terms energy: -225.941543 where: bonds (distance) C4'-P energy: -58.176 bonds (distance) P-C4' energy: -50.005 flat angles C4'-P-C4' energy: -62.594 flat angles P-C4'-P energy: -23.043 tors. eta vs tors. theta energy: -32.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -477.715938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.715938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.715938 (E_RNA) where: Base-Base interactions energy: -260.019 where: short stacking energy: -133.177 Base-Backbone interact. energy: 0.125 local terms energy: -217.821719 where: bonds (distance) C4'-P energy: -57.958 bonds (distance) P-C4' energy: -53.348 flat angles C4'-P-C4' energy: -54.932 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: -13.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -456.571092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.571092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.571092 (E_RNA) where: Base-Base interactions energy: -240.502 where: short stacking energy: -127.896 Base-Backbone interact. energy: -1.403 local terms energy: -214.666090 where: bonds (distance) C4'-P energy: -58.291 bonds (distance) P-C4' energy: -51.722 flat angles C4'-P-C4' energy: -52.724 flat angles P-C4'-P energy: -34.900 tors. eta vs tors. theta energy: -17.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -253.133710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.133710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.133710 (E_RNA) where: Base-Base interactions energy: -89.829 where: short stacking energy: -84.314 Base-Backbone interact. energy: -0.354 local terms energy: -162.951147 where: bonds (distance) C4'-P energy: -55.028 bonds (distance) P-C4' energy: -59.744 flat angles C4'-P-C4' energy: -45.478 flat angles P-C4'-P energy: -14.929 tors. eta vs tors. theta energy: 12.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1076.583117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.583117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.583117 (E_RNA) where: Base-Base interactions energy: -743.795 where: short stacking energy: -316.831 Base-Backbone interact. energy: -1.559 local terms energy: -331.229160 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -58.913 flat angles C4'-P-C4' energy: -64.070 flat angles P-C4'-P energy: -50.069 tors. eta vs tors. theta energy: -93.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1016.467405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.467405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.467405 (E_RNA) where: Base-Base interactions energy: -688.233 where: short stacking energy: -301.426 Base-Backbone interact. energy: -1.056 local terms energy: -327.178584 where: bonds (distance) C4'-P energy: -64.180 bonds (distance) P-C4' energy: -57.924 flat angles C4'-P-C4' energy: -67.412 flat angles P-C4'-P energy: -46.529 tors. eta vs tors. theta energy: -91.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -966.667816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.667816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.667816 (E_RNA) where: Base-Base interactions energy: -664.252 where: short stacking energy: -273.429 Base-Backbone interact. energy: -1.179 local terms energy: -301.237139 where: bonds (distance) C4'-P energy: -52.054 bonds (distance) P-C4' energy: -58.321 flat angles C4'-P-C4' energy: -69.294 flat angles P-C4'-P energy: -47.014 tors. eta vs tors. theta energy: -74.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -955.082447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.082447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.082447 (E_RNA) where: Base-Base interactions energy: -660.195 where: short stacking energy: -285.550 Base-Backbone interact. energy: -2.122 local terms energy: -292.765235 where: bonds (distance) C4'-P energy: -42.099 bonds (distance) P-C4' energy: -52.571 flat angles C4'-P-C4' energy: -67.577 flat angles P-C4'-P energy: -43.009 tors. eta vs tors. theta energy: -87.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -780.896400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.896400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.896400 (E_RNA) where: Base-Base interactions energy: -501.157 where: short stacking energy: -212.960 Base-Backbone interact. energy: 2.720 local terms energy: -282.459677 where: bonds (distance) C4'-P energy: -57.855 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -59.987 flat angles P-C4'-P energy: -44.103 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: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -695.972595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.972595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.972595 (E_RNA) where: Base-Base interactions energy: -424.212 where: short stacking energy: -190.176 Base-Backbone interact. energy: -1.113 local terms energy: -270.647857 where: bonds (distance) C4'-P energy: -53.943 bonds (distance) P-C4' energy: -60.483 flat angles C4'-P-C4' energy: -63.288 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -45.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -577.564208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.564208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.564208 (E_RNA) where: Base-Base interactions energy: -355.556 where: short stacking energy: -141.275 Base-Backbone interact. energy: -1.089 local terms energy: -220.919432 where: bonds (distance) C4'-P energy: -54.826 bonds (distance) P-C4' energy: -60.411 flat angles C4'-P-C4' energy: -58.633 flat angles P-C4'-P energy: -35.237 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: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -498.744799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.744799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.744799 (E_RNA) where: Base-Base interactions energy: -292.209 where: short stacking energy: -147.877 Base-Backbone interact. energy: -0.931 local terms energy: -205.605132 where: bonds (distance) C4'-P energy: -51.864 bonds (distance) P-C4' energy: -59.386 flat angles C4'-P-C4' energy: -49.040 flat angles P-C4'-P energy: -17.658 tors. eta vs tors. theta energy: -27.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -453.227261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.227261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.227261 (E_RNA) where: Base-Base interactions energy: -234.345 where: short stacking energy: -124.185 Base-Backbone interact. energy: 1.727 local terms energy: -220.609601 where: bonds (distance) C4'-P energy: -53.932 bonds (distance) P-C4' energy: -64.195 flat angles C4'-P-C4' energy: -47.145 flat angles P-C4'-P energy: -38.223 tors. eta vs tors. theta energy: -17.115 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: 3 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -266.077401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.077401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.077401 (E_RNA) where: Base-Base interactions energy: -101.436 where: short stacking energy: -82.760 Base-Backbone interact. energy: 1.042 local terms energy: -165.683334 where: bonds (distance) C4'-P energy: -47.831 bonds (distance) P-C4' energy: -53.238 flat angles C4'-P-C4' energy: -53.041 flat angles P-C4'-P energy: -24.121 tors. eta vs tors. theta energy: 12.547 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: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1072.448794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.448794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.448794 (E_RNA) where: Base-Base interactions energy: -730.891 where: short stacking energy: -319.772 Base-Backbone interact. energy: -0.639 local terms energy: -340.918444 where: bonds (distance) C4'-P energy: -62.302 bonds (distance) P-C4' energy: -58.531 flat angles C4'-P-C4' energy: -66.108 flat angles P-C4'-P energy: -53.475 tors. eta vs tors. theta energy: -100.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1007.720934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.720934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.720934 (E_RNA) where: Base-Base interactions energy: -690.636 where: short stacking energy: -301.165 Base-Backbone interact. energy: 0.082 local terms energy: -317.167220 where: bonds (distance) C4'-P energy: -56.408 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -68.158 flat angles P-C4'-P energy: -42.337 tors. eta vs tors. theta energy: -90.082 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: 277 Temperature: 1.000000 Total energy: -975.299676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.299676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.299676 (E_RNA) where: Base-Base interactions energy: -673.816 where: short stacking energy: -274.310 Base-Backbone interact. energy: 5.359 local terms energy: -306.842699 where: bonds (distance) C4'-P energy: -60.550 bonds (distance) P-C4' energy: -61.407 flat angles C4'-P-C4' energy: -63.578 flat angles P-C4'-P energy: -42.969 tors. eta vs tors. theta energy: -78.338 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: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -967.831208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.831208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.831208 (E_RNA) where: Base-Base interactions energy: -656.263 where: short stacking energy: -283.999 Base-Backbone interact. energy: -0.935 local terms energy: -310.633637 where: bonds (distance) C4'-P energy: -51.686 bonds (distance) P-C4' energy: -59.049 flat angles C4'-P-C4' energy: -64.279 flat angles P-C4'-P energy: -40.440 tors. eta vs tors. theta energy: -95.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -761.194452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.194452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.194452 (E_RNA) where: Base-Base interactions energy: -480.890 where: short stacking energy: -224.696 Base-Backbone interact. energy: 0.569 local terms energy: -280.873691 where: bonds (distance) C4'-P energy: -53.371 bonds (distance) P-C4' energy: -59.946 flat angles C4'-P-C4' energy: -64.004 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: -62.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -681.447049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.447049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.447049 (E_RNA) where: Base-Base interactions energy: -429.233 where: short stacking energy: -205.615 Base-Backbone interact. energy: 1.619 local terms energy: -253.832959 where: bonds (distance) C4'-P energy: -55.922 bonds (distance) P-C4' energy: -54.543 flat angles C4'-P-C4' energy: -58.029 flat angles P-C4'-P energy: -35.524 tors. eta vs tors. theta energy: -49.815 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: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -589.593013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.593013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.593013 (E_RNA) where: Base-Base interactions energy: -370.773 where: short stacking energy: -170.384 Base-Backbone interact. energy: -2.066 local terms energy: -216.754899 where: bonds (distance) C4'-P energy: -47.298 bonds (distance) P-C4' energy: -46.554 flat angles C4'-P-C4' energy: -55.180 flat angles P-C4'-P energy: -30.607 tors. eta vs tors. theta energy: -37.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -449.602032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.602032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.602032 (E_RNA) where: Base-Base interactions energy: -231.986 where: short stacking energy: -121.424 Base-Backbone interact. energy: -0.609 local terms energy: -217.006911 where: bonds (distance) C4'-P energy: -60.529 bonds (distance) P-C4' energy: -62.405 flat angles C4'-P-C4' energy: -43.798 flat angles P-C4'-P energy: -36.665 tors. eta vs tors. theta energy: -13.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -453.149353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.149353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.149353 (E_RNA) where: Base-Base interactions energy: -242.488 where: short stacking energy: -113.833 Base-Backbone interact. energy: -0.467 local terms energy: -210.194510 where: bonds (distance) C4'-P energy: -57.622 bonds (distance) P-C4' energy: -60.319 flat angles C4'-P-C4' energy: -53.195 flat angles P-C4'-P energy: -36.257 tors. eta vs tors. theta energy: -2.802 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: 3 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -273.019650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.019650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.019650 (E_RNA) where: Base-Base interactions energy: -112.350 where: short stacking energy: -74.860 Base-Backbone interact. energy: -0.084 local terms energy: -160.586057 where: bonds (distance) C4'-P energy: -52.828 bonds (distance) P-C4' energy: -55.425 flat angles C4'-P-C4' energy: -32.280 flat angles P-C4'-P energy: -33.161 tors. eta vs tors. theta energy: 13.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1101.692544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.692544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.692544 (E_RNA) where: Base-Base interactions energy: -761.924 where: short stacking energy: -317.731 Base-Backbone interact. energy: 1.761 local terms energy: -341.529608 where: bonds (distance) C4'-P energy: -66.260 bonds (distance) P-C4' energy: -65.269 flat angles C4'-P-C4' energy: -64.550 flat angles P-C4'-P energy: -47.049 tors. eta vs tors. theta energy: -98.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1024.324428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.324428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.324428 (E_RNA) where: Base-Base interactions energy: -695.263 where: short stacking energy: -310.361 Base-Backbone interact. energy: -0.856 local terms energy: -328.205706 where: bonds (distance) C4'-P energy: -45.885 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -72.048 flat angles P-C4'-P energy: -56.131 tors. eta vs tors. theta energy: -90.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1010.126079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.126079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.126079 (E_RNA) where: Base-Base interactions energy: -682.023 where: short stacking energy: -287.199 Base-Backbone interact. energy: -2.826 local terms energy: -325.277710 where: bonds (distance) C4'-P energy: -62.334 bonds (distance) P-C4' energy: -60.361 flat angles C4'-P-C4' energy: -63.677 flat angles P-C4'-P energy: -42.326 tors. eta vs tors. theta energy: -96.580 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: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -904.747760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.747760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.747760 (E_RNA) where: Base-Base interactions energy: -595.646 where: short stacking energy: -247.110 Base-Backbone interact. energy: -0.395 local terms energy: -308.707364 where: bonds (distance) C4'-P energy: -57.486 bonds (distance) P-C4' energy: -65.410 flat angles C4'-P-C4' energy: -67.736 flat angles P-C4'-P energy: -49.625 tors. eta vs tors. theta energy: -68.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -796.537405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.537405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.537405 (E_RNA) where: Base-Base interactions energy: -523.811 where: short stacking energy: -212.617 Base-Backbone interact. energy: -0.936 local terms energy: -271.790874 where: bonds (distance) C4'-P energy: -55.177 bonds (distance) P-C4' energy: -64.565 flat angles C4'-P-C4' energy: -58.449 flat angles P-C4'-P energy: -35.495 tors. eta vs tors. theta energy: -58.104 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: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -657.708609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.708609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.708609 (E_RNA) where: Base-Base interactions energy: -400.610 where: short stacking energy: -179.823 Base-Backbone interact. energy: 0.738 local terms energy: -257.836974 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -57.316 flat angles P-C4'-P energy: -34.840 tors. eta vs tors. theta energy: -41.261 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: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -555.688215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.688215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.688215 (E_RNA) where: Base-Base interactions energy: -330.432 where: short stacking energy: -138.491 Base-Backbone interact. energy: -0.388 local terms energy: -224.868079 where: bonds (distance) C4'-P energy: -44.449 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -67.258 flat angles P-C4'-P energy: -31.061 tors. eta vs tors. theta energy: -23.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -482.380043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.380043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.380043 (E_RNA) where: Base-Base interactions energy: -287.357 where: short stacking energy: -127.203 Base-Backbone interact. energy: 0.679 local terms energy: -195.702349 where: bonds (distance) C4'-P energy: -54.365 bonds (distance) P-C4' energy: -58.046 flat angles C4'-P-C4' energy: -48.085 flat angles P-C4'-P energy: -17.288 tors. eta vs tors. theta energy: -17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -448.824302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.824302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.824302 (E_RNA) where: Base-Base interactions energy: -236.375 where: short stacking energy: -111.783 Base-Backbone interact. energy: -2.263 local terms energy: -210.186780 where: bonds (distance) C4'-P energy: -43.856 bonds (distance) P-C4' energy: -56.762 flat angles C4'-P-C4' energy: -62.792 flat angles P-C4'-P energy: -31.958 tors. eta vs tors. theta energy: -14.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -281.051536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.051536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.051536 (E_RNA) where: Base-Base interactions energy: -117.310 where: short stacking energy: -94.170 Base-Backbone interact. energy: -0.162 local terms energy: -163.578997 where: bonds (distance) C4'-P energy: -43.937 bonds (distance) P-C4' energy: -52.111 flat angles C4'-P-C4' energy: -50.292 flat angles P-C4'-P energy: -20.307 tors. eta vs tors. theta energy: 3.068 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: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1098.527466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.527466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.527466 (E_RNA) where: Base-Base interactions energy: -738.595 where: short stacking energy: -318.854 Base-Backbone interact. energy: -1.372 local terms energy: -358.559914 where: bonds (distance) C4'-P energy: -71.541 bonds (distance) P-C4' energy: -67.164 flat angles C4'-P-C4' energy: -67.958 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: -99.792 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: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1018.150030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.150030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.150030 (E_RNA) where: Base-Base interactions energy: -689.785 where: short stacking energy: -306.344 Base-Backbone interact. energy: -1.781 local terms energy: -326.583952 where: bonds (distance) C4'-P energy: -52.224 bonds (distance) P-C4' energy: -67.346 flat angles C4'-P-C4' energy: -70.385 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: -91.360 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: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1030.291526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.291526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.291526 (E_RNA) where: Base-Base interactions energy: -694.831 where: short stacking energy: -305.216 Base-Backbone interact. energy: -2.247 local terms energy: -333.213890 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -59.290 flat angles C4'-P-C4' energy: -66.712 flat angles P-C4'-P energy: -43.443 tors. eta vs tors. theta energy: -99.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -916.547231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.547231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.547231 (E_RNA) where: Base-Base interactions energy: -611.937 where: short stacking energy: -251.852 Base-Backbone interact. energy: 3.189 local terms energy: -307.798707 where: bonds (distance) C4'-P energy: -62.851 bonds (distance) P-C4' energy: -53.457 flat angles C4'-P-C4' energy: -64.198 flat angles P-C4'-P energy: -52.891 tors. eta vs tors. theta energy: -74.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -820.151030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.151030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.151030 (E_RNA) where: Base-Base interactions energy: -533.936 where: short stacking energy: -220.681 Base-Backbone interact. energy: -1.671 local terms energy: -284.544568 where: bonds (distance) C4'-P energy: -54.524 bonds (distance) P-C4' energy: -56.018 flat angles C4'-P-C4' energy: -63.443 flat angles P-C4'-P energy: -43.466 tors. eta vs tors. theta energy: -67.094 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: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -646.474357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.474357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.474357 (E_RNA) where: Base-Base interactions energy: -398.593 where: short stacking energy: -193.474 Base-Backbone interact. energy: -0.648 local terms energy: -247.233248 where: bonds (distance) C4'-P energy: -46.930 bonds (distance) P-C4' energy: -56.653 flat angles C4'-P-C4' energy: -52.677 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -50.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -562.172489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.172489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.172489 (E_RNA) where: Base-Base interactions energy: -315.501 where: short stacking energy: -158.221 Base-Backbone interact. energy: -1.767 local terms energy: -244.904907 where: bonds (distance) C4'-P energy: -56.550 bonds (distance) P-C4' energy: -57.326 flat angles C4'-P-C4' energy: -68.176 flat angles P-C4'-P energy: -29.087 tors. eta vs tors. theta energy: -33.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -520.255696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.255696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.255696 (E_RNA) where: Base-Base interactions energy: -288.720 where: short stacking energy: -146.177 Base-Backbone interact. energy: -0.525 local terms energy: -231.010573 where: bonds (distance) C4'-P energy: -50.452 bonds (distance) P-C4' energy: -55.477 flat angles C4'-P-C4' energy: -53.954 flat angles P-C4'-P energy: -34.422 tors. eta vs tors. theta energy: -36.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -450.865585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.865585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.865585 (E_RNA) where: Base-Base interactions energy: -242.883 where: short stacking energy: -112.421 Base-Backbone interact. energy: -0.904 local terms energy: -207.079002 where: bonds (distance) C4'-P energy: -48.543 bonds (distance) P-C4' energy: -61.195 flat angles C4'-P-C4' energy: -39.854 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -14.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -257.761646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.761646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.761646 (E_RNA) where: Base-Base interactions energy: -93.665 where: short stacking energy: -85.004 Base-Backbone interact. energy: -1.141 local terms energy: -162.955625 where: bonds (distance) C4'-P energy: -49.871 bonds (distance) P-C4' energy: -56.406 flat angles C4'-P-C4' energy: -44.833 flat angles P-C4'-P energy: -11.995 tors. eta vs tors. theta energy: 0.149 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: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1104.936122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.936122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.936122 (E_RNA) where: Base-Base interactions energy: -757.318 where: short stacking energy: -315.854 Base-Backbone interact. energy: -2.278 local terms energy: -345.339863 where: bonds (distance) C4'-P energy: -63.423 bonds (distance) P-C4' energy: -63.448 flat angles C4'-P-C4' energy: -69.856 flat angles P-C4'-P energy: -52.040 tors. eta vs tors. theta energy: -96.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1001.879840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.879840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.879840 (E_RNA) where: Base-Base interactions energy: -680.017 where: short stacking energy: -311.091 Base-Backbone interact. energy: -3.146 local terms energy: -318.717403 where: bonds (distance) C4'-P energy: -56.018 bonds (distance) P-C4' energy: -56.730 flat angles C4'-P-C4' energy: -66.137 flat angles P-C4'-P energy: -48.056 tors. eta vs tors. theta energy: -91.777 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: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1016.376304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.376304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.376304 (E_RNA) where: Base-Base interactions energy: -689.137 where: short stacking energy: -294.195 Base-Backbone interact. energy: -1.600 local terms energy: -325.639031 where: bonds (distance) C4'-P energy: -65.272 bonds (distance) P-C4' energy: -60.350 flat angles C4'-P-C4' energy: -59.018 flat angles P-C4'-P energy: -49.218 tors. eta vs tors. theta energy: -91.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -950.458465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.458465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.458465 (E_RNA) where: Base-Base interactions energy: -624.229 where: short stacking energy: -256.131 Base-Backbone interact. energy: -1.958 local terms energy: -324.271168 where: bonds (distance) C4'-P energy: -62.855 bonds (distance) P-C4' energy: -66.558 flat angles C4'-P-C4' energy: -67.390 flat angles P-C4'-P energy: -49.577 tors. eta vs tors. theta energy: -77.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -814.752961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.752961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.752961 (E_RNA) where: Base-Base interactions energy: -532.782 where: short stacking energy: -236.095 Base-Backbone interact. energy: 7.761 local terms energy: -289.731342 where: bonds (distance) C4'-P energy: -53.899 bonds (distance) P-C4' energy: -67.521 flat angles C4'-P-C4' energy: -52.303 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: -71.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -630.904560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.904560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.904560 (E_RNA) where: Base-Base interactions energy: -377.124 where: short stacking energy: -181.044 Base-Backbone interact. energy: 0.275 local terms energy: -254.055904 where: bonds (distance) C4'-P energy: -58.332 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -53.213 flat angles P-C4'-P energy: -44.752 tors. eta vs tors. theta energy: -35.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -583.710445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.710445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.710445 (E_RNA) where: Base-Base interactions energy: -356.053 where: short stacking energy: -160.997 Base-Backbone interact. energy: -1.632 local terms energy: -226.024502 where: bonds (distance) C4'-P energy: -50.910 bonds (distance) P-C4' energy: -59.440 flat angles C4'-P-C4' energy: -63.427 flat angles P-C4'-P energy: -26.642 tors. eta vs tors. theta energy: -25.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -542.759824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.759824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.759824 (E_RNA) where: Base-Base interactions energy: -323.788 where: short stacking energy: -140.933 Base-Backbone interact. energy: 7.365 local terms energy: -226.336365 where: bonds (distance) C4'-P energy: -43.307 bonds (distance) P-C4' energy: -57.132 flat angles C4'-P-C4' energy: -59.270 flat angles P-C4'-P energy: -39.219 tors. eta vs tors. theta energy: -27.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -468.308048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.308048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.308048 (E_RNA) where: Base-Base interactions energy: -274.280 where: short stacking energy: -130.672 Base-Backbone interact. energy: 4.930 local terms energy: -198.957747 where: bonds (distance) C4'-P energy: -46.568 bonds (distance) P-C4' energy: -58.004 flat angles C4'-P-C4' energy: -57.338 flat angles P-C4'-P energy: -30.569 tors. eta vs tors. theta energy: -6.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -252.913416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.913416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.913416 (E_RNA) where: Base-Base interactions energy: -105.760 where: short stacking energy: -76.441 Base-Backbone interact. energy: 6.415 local terms energy: -153.568883 where: bonds (distance) C4'-P energy: -59.760 bonds (distance) P-C4' energy: -43.318 flat angles C4'-P-C4' energy: -40.679 flat angles P-C4'-P energy: -21.409 tors. eta vs tors. theta energy: 11.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1088.809034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.809034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.809034 (E_RNA) where: Base-Base interactions energy: -748.793 where: short stacking energy: -310.177 Base-Backbone interact. energy: -1.915 local terms energy: -338.101330 where: bonds (distance) C4'-P energy: -54.583 bonds (distance) P-C4' energy: -66.084 flat angles C4'-P-C4' energy: -65.555 flat angles P-C4'-P energy: -52.349 tors. eta vs tors. theta energy: -99.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1006.560506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.560506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.560506 (E_RNA) where: Base-Base interactions energy: -679.006 where: short stacking energy: -286.391 Base-Backbone interact. energy: -0.302 local terms energy: -327.251979 where: bonds (distance) C4'-P energy: -64.062 bonds (distance) P-C4' energy: -64.679 flat angles C4'-P-C4' energy: -69.474 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -81.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1015.190008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.190008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.190008 (E_RNA) where: Base-Base interactions energy: -691.678 where: short stacking energy: -311.463 Base-Backbone interact. energy: -0.514 local terms energy: -322.998023 where: bonds (distance) C4'-P energy: -62.856 bonds (distance) P-C4' energy: -52.819 flat angles C4'-P-C4' energy: -63.700 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: -94.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -959.256236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.256236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.256236 (E_RNA) where: Base-Base interactions energy: -652.776 where: short stacking energy: -249.921 Base-Backbone interact. energy: -0.233 local terms energy: -306.247491 where: bonds (distance) C4'-P energy: -56.904 bonds (distance) P-C4' energy: -57.737 flat angles C4'-P-C4' energy: -68.722 flat angles P-C4'-P energy: -41.839 tors. eta vs tors. theta energy: -81.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -800.082522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.082522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.082522 (E_RNA) where: Base-Base interactions energy: -513.771 where: short stacking energy: -231.959 Base-Backbone interact. energy: -2.942 local terms energy: -283.369628 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -51.835 flat angles C4'-P-C4' energy: -67.770 flat angles P-C4'-P energy: -45.024 tors. eta vs tors. theta energy: -60.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -635.050061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.050061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.050061 (E_RNA) where: Base-Base interactions energy: -382.561 where: short stacking energy: -186.637 Base-Backbone interact. energy: 1.758 local terms energy: -254.247122 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -63.166 flat angles C4'-P-C4' energy: -54.512 flat angles P-C4'-P energy: -33.190 tors. eta vs tors. theta energy: -43.042 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: 281 Temperature: 1.200000 Total energy: -547.624575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.624575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.624575 (E_RNA) where: Base-Base interactions energy: -296.017 where: short stacking energy: -127.009 Base-Backbone interact. energy: -1.064 local terms energy: -250.544240 where: bonds (distance) C4'-P energy: -60.161 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -64.301 flat angles P-C4'-P energy: -39.529 tors. eta vs tors. theta energy: -24.244 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: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -552.529702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.529702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.529702 (E_RNA) where: Base-Base interactions energy: -324.765 where: short stacking energy: -155.771 Base-Backbone interact. energy: -0.934 local terms energy: -226.830604 where: bonds (distance) C4'-P energy: -57.480 bonds (distance) P-C4' energy: -51.917 flat angles C4'-P-C4' energy: -56.557 flat angles P-C4'-P energy: -36.264 tors. eta vs tors. theta energy: -24.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -465.074231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.074231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.074231 (E_RNA) where: Base-Base interactions energy: -286.789 where: short stacking energy: -143.639 Base-Backbone interact. energy: -0.452 local terms energy: -177.833815 where: bonds (distance) C4'-P energy: -47.024 bonds (distance) P-C4' energy: -52.159 flat angles C4'-P-C4' energy: -36.674 flat angles P-C4'-P energy: -23.042 tors. eta vs tors. theta energy: -18.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -254.129756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.129756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.129756 (E_RNA) where: Base-Base interactions energy: -85.256 where: short stacking energy: -60.791 Base-Backbone interact. energy: -1.000 local terms energy: -167.873309 where: bonds (distance) C4'-P energy: -54.655 bonds (distance) P-C4' energy: -55.415 flat angles C4'-P-C4' energy: -56.470 flat angles P-C4'-P energy: -16.878 tors. eta vs tors. theta energy: 15.545 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: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1084.810018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.810018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.810018 (E_RNA) where: Base-Base interactions energy: -737.515 where: short stacking energy: -311.233 Base-Backbone interact. energy: -2.267 local terms energy: -345.027254 where: bonds (distance) C4'-P energy: -69.986 bonds (distance) P-C4' energy: -65.636 flat angles C4'-P-C4' energy: -72.893 flat angles P-C4'-P energy: -40.719 tors. eta vs tors. theta energy: -95.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1013.874596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.874596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.874596 (E_RNA) where: Base-Base interactions energy: -684.567 where: short stacking energy: -303.069 Base-Backbone interact. energy: 0.391 local terms energy: -329.698283 where: bonds (distance) C4'-P energy: -66.067 bonds (distance) P-C4' energy: -58.479 flat angles C4'-P-C4' energy: -67.835 flat angles P-C4'-P energy: -50.071 tors. eta vs tors. theta energy: -87.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1024.729669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.729669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.729669 (E_RNA) where: Base-Base interactions energy: -696.184 where: short stacking energy: -288.560 Base-Backbone interact. energy: -1.763 local terms energy: -326.782641 where: bonds (distance) C4'-P energy: -68.780 bonds (distance) P-C4' energy: -51.959 flat angles C4'-P-C4' energy: -68.121 flat angles P-C4'-P energy: -45.428 tors. eta vs tors. theta energy: -92.495 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: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -922.439217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.439217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.439217 (E_RNA) where: Base-Base interactions energy: -627.726 where: short stacking energy: -255.353 Base-Backbone interact. energy: -3.398 local terms energy: -291.315106 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -60.785 flat angles C4'-P-C4' energy: -69.391 flat angles P-C4'-P energy: -35.679 tors. eta vs tors. theta energy: -71.372 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: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -818.364211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.364211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.364211 (E_RNA) where: Base-Base interactions energy: -534.252 where: short stacking energy: -249.016 Base-Backbone interact. energy: -0.264 local terms energy: -283.848410 where: bonds (distance) C4'-P energy: -54.238 bonds (distance) P-C4' energy: -57.251 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -40.089 tors. eta vs tors. theta energy: -69.046 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: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -620.226516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.226516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.226516 (E_RNA) where: Base-Base interactions energy: -372.596 where: short stacking energy: -171.483 Base-Backbone interact. energy: 2.885 local terms energy: -250.515701 where: bonds (distance) C4'-P energy: -54.677 bonds (distance) P-C4' energy: -63.015 flat angles C4'-P-C4' energy: -59.123 flat angles P-C4'-P energy: -27.564 tors. eta vs tors. theta energy: -46.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -532.360209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.360209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.360209 (E_RNA) where: Base-Base interactions energy: -308.294 where: short stacking energy: -151.312 Base-Backbone interact. energy: -2.934 local terms energy: -221.132763 where: bonds (distance) C4'-P energy: -57.319 bonds (distance) P-C4' energy: -59.694 flat angles C4'-P-C4' energy: -51.378 flat angles P-C4'-P energy: -29.553 tors. eta vs tors. theta energy: -23.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -453.487802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.487802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.487802 (E_RNA) where: Base-Base interactions energy: -258.148 where: short stacking energy: -129.440 Base-Backbone interact. energy: -1.552 local terms energy: -193.788166 where: bonds (distance) C4'-P energy: -51.616 bonds (distance) P-C4' energy: -50.667 flat angles C4'-P-C4' energy: -58.596 flat angles P-C4'-P energy: -28.331 tors. eta vs tors. theta energy: -4.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -457.092177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.092177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.092177 (E_RNA) where: Base-Base interactions energy: -279.122 where: short stacking energy: -141.959 Base-Backbone interact. energy: -1.677 local terms energy: -176.292749 where: bonds (distance) C4'-P energy: -39.889 bonds (distance) P-C4' energy: -50.859 flat angles C4'-P-C4' energy: -38.122 flat angles P-C4'-P energy: -22.729 tors. eta vs tors. theta energy: -24.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -261.744312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.744312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.744312 (E_RNA) where: Base-Base interactions energy: -95.423 where: short stacking energy: -66.377 Base-Backbone interact. energy: 1.921 local terms energy: -168.242523 where: bonds (distance) C4'-P energy: -49.589 bonds (distance) P-C4' energy: -44.941 flat angles C4'-P-C4' energy: -41.381 flat angles P-C4'-P energy: -37.571 tors. eta vs tors. theta energy: 5.239 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: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1086.487696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.487696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.487696 (E_RNA) where: Base-Base interactions energy: -739.051 where: short stacking energy: -307.637 Base-Backbone interact. energy: 1.920 local terms energy: -349.356140 where: bonds (distance) C4'-P energy: -60.174 bonds (distance) P-C4' energy: -67.828 flat angles C4'-P-C4' energy: -77.640 flat angles P-C4'-P energy: -45.854 tors. eta vs tors. theta energy: -97.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1012.507293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.507293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.507293 (E_RNA) where: Base-Base interactions energy: -679.290 where: short stacking energy: -286.268 Base-Backbone interact. energy: -1.023 local terms energy: -332.194808 where: bonds (distance) C4'-P energy: -59.674 bonds (distance) P-C4' energy: -68.564 flat angles C4'-P-C4' energy: -62.731 flat angles P-C4'-P energy: -47.341 tors. eta vs tors. theta energy: -93.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -980.884586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.884586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.884586 (E_RNA) where: Base-Base interactions energy: -667.018 where: short stacking energy: -282.451 Base-Backbone interact. energy: -0.380 local terms energy: -313.486259 where: bonds (distance) C4'-P energy: -59.960 bonds (distance) P-C4' energy: -59.542 flat angles C4'-P-C4' energy: -74.527 flat angles P-C4'-P energy: -42.569 tors. eta vs tors. theta energy: -76.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -951.665674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.665674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.665674 (E_RNA) where: Base-Base interactions energy: -652.430 where: short stacking energy: -252.799 Base-Backbone interact. energy: -1.705 local terms energy: -297.530852 where: bonds (distance) C4'-P energy: -57.110 bonds (distance) P-C4' energy: -60.955 flat angles C4'-P-C4' energy: -64.460 flat angles P-C4'-P energy: -40.592 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: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -809.183150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.183150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.183150 (E_RNA) where: Base-Base interactions energy: -517.497 where: short stacking energy: -230.678 Base-Backbone interact. energy: -0.874 local terms energy: -290.812572 where: bonds (distance) C4'-P energy: -51.081 bonds (distance) P-C4' energy: -59.070 flat angles C4'-P-C4' energy: -60.390 flat angles P-C4'-P energy: -51.523 tors. eta vs tors. theta energy: -68.749 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: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -611.709610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.709610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.709610 (E_RNA) where: Base-Base interactions energy: -377.180 where: short stacking energy: -210.778 Base-Backbone interact. energy: -0.818 local terms energy: -233.711213 where: bonds (distance) C4'-P energy: -49.034 bonds (distance) P-C4' energy: -58.668 flat angles C4'-P-C4' energy: -47.509 flat angles P-C4'-P energy: -32.803 tors. eta vs tors. theta energy: -45.697 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: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -564.482603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.482603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.482603 (E_RNA) where: Base-Base interactions energy: -334.507 where: short stacking energy: -157.356 Base-Backbone interact. energy: -1.713 local terms energy: -228.262624 where: bonds (distance) C4'-P energy: -61.730 bonds (distance) P-C4' energy: -43.286 flat angles C4'-P-C4' energy: -50.961 flat angles P-C4'-P energy: -35.643 tors. eta vs tors. theta energy: -36.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -480.215707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.215707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.215707 (E_RNA) where: Base-Base interactions energy: -257.345 where: short stacking energy: -129.244 Base-Backbone interact. energy: 4.526 local terms energy: -227.396472 where: bonds (distance) C4'-P energy: -59.028 bonds (distance) P-C4' energy: -59.607 flat angles C4'-P-C4' energy: -53.959 flat angles P-C4'-P energy: -25.462 tors. eta vs tors. theta energy: -29.341 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: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -454.579198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.579198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.579198 (E_RNA) where: Base-Base interactions energy: -249.579 where: short stacking energy: -130.043 Base-Backbone interact. energy: 0.318 local terms energy: -205.318844 where: bonds (distance) C4'-P energy: -63.568 bonds (distance) P-C4' energy: -43.212 flat angles C4'-P-C4' energy: -47.402 flat angles P-C4'-P energy: -31.537 tors. eta vs tors. theta energy: -19.599 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: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -278.522370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.522370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.522370 (E_RNA) where: Base-Base interactions energy: -94.418 where: short stacking energy: -62.438 Base-Backbone interact. energy: 1.737 local terms energy: -185.841278 where: bonds (distance) C4'-P energy: -58.858 bonds (distance) P-C4' energy: -61.410 flat angles C4'-P-C4' energy: -47.262 flat angles P-C4'-P energy: -26.982 tors. eta vs tors. theta energy: 8.671 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: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1092.695776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.695776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.695776 (E_RNA) where: Base-Base interactions energy: -747.626 where: short stacking energy: -323.813 Base-Backbone interact. energy: 2.548 local terms energy: -347.618678 where: bonds (distance) C4'-P energy: -62.373 bonds (distance) P-C4' energy: -62.145 flat angles C4'-P-C4' energy: -69.869 flat angles P-C4'-P energy: -55.755 tors. eta vs tors. theta energy: -97.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1060.908635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.908635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.908635 (E_RNA) where: Base-Base interactions energy: -714.380 where: short stacking energy: -309.510 Base-Backbone interact. energy: -1.395 local terms energy: -345.134282 where: bonds (distance) C4'-P energy: -69.788 bonds (distance) P-C4' energy: -62.403 flat angles C4'-P-C4' energy: -64.568 flat angles P-C4'-P energy: -45.393 tors. eta vs tors. theta energy: -102.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -970.243327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.243327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.243327 (E_RNA) where: Base-Base interactions energy: -658.783 where: short stacking energy: -273.638 Base-Backbone interact. energy: -1.587 local terms energy: -309.873899 where: bonds (distance) C4'-P energy: -52.018 bonds (distance) P-C4' energy: -63.667 flat angles C4'-P-C4' energy: -71.605 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: -80.984 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: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -957.185471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.185471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.185471 (E_RNA) where: Base-Base interactions energy: -665.018 where: short stacking energy: -288.303 Base-Backbone interact. energy: 0.323 local terms energy: -292.490211 where: bonds (distance) C4'-P energy: -34.319 bonds (distance) P-C4' energy: -59.300 flat angles C4'-P-C4' energy: -67.022 flat angles P-C4'-P energy: -44.866 tors. eta vs tors. theta energy: -86.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -816.456061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.456061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.456061 (E_RNA) where: Base-Base interactions energy: -532.746 where: short stacking energy: -235.270 Base-Backbone interact. energy: -3.097 local terms energy: -280.612315 where: bonds (distance) C4'-P energy: -60.576 bonds (distance) P-C4' energy: -47.610 flat angles C4'-P-C4' energy: -56.559 flat angles P-C4'-P energy: -36.255 tors. eta vs tors. theta energy: -79.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -611.649019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.649019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.649019 (E_RNA) where: Base-Base interactions energy: -387.247 where: short stacking energy: -174.298 Base-Backbone interact. energy: -2.355 local terms energy: -222.046637 where: bonds (distance) C4'-P energy: -57.314 bonds (distance) P-C4' energy: -49.975 flat angles C4'-P-C4' energy: -61.204 flat angles P-C4'-P energy: -24.747 tors. eta vs tors. theta energy: -28.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -606.551114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.551114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.551114 (E_RNA) where: Base-Base interactions energy: -368.278 where: short stacking energy: -174.771 Base-Backbone interact. energy: 0.248 local terms energy: -238.521288 where: bonds (distance) C4'-P energy: -44.179 bonds (distance) P-C4' energy: -55.059 flat angles C4'-P-C4' energy: -57.329 flat angles P-C4'-P energy: -41.080 tors. eta vs tors. theta energy: -40.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -457.565659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.565659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.565659 (E_RNA) where: Base-Base interactions energy: -269.308 where: short stacking energy: -118.061 Base-Backbone interact. energy: 0.679 local terms energy: -188.936418 where: bonds (distance) C4'-P energy: -47.235 bonds (distance) P-C4' energy: -52.706 flat angles C4'-P-C4' energy: -43.771 flat angles P-C4'-P energy: -32.106 tors. eta vs tors. theta energy: -13.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -429.109481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.109481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.109481 (E_RNA) where: Base-Base interactions energy: -223.965 where: short stacking energy: -115.111 Base-Backbone interact. energy: 0.562 local terms energy: -205.706754 where: bonds (distance) C4'-P energy: -50.634 bonds (distance) P-C4' energy: -58.809 flat angles C4'-P-C4' energy: -49.166 flat angles P-C4'-P energy: -35.486 tors. eta vs tors. theta energy: -11.611 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: 3 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -273.532281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.532281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.532281 (E_RNA) where: Base-Base interactions energy: -98.171 where: short stacking energy: -56.025 Base-Backbone interact. energy: -3.002 local terms energy: -172.359412 where: bonds (distance) C4'-P energy: -49.510 bonds (distance) P-C4' energy: -58.029 flat angles C4'-P-C4' energy: -50.051 flat angles P-C4'-P energy: -26.748 tors. eta vs tors. theta energy: 11.978 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: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1084.129982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.129982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.129982 (E_RNA) where: Base-Base interactions energy: -740.507 where: short stacking energy: -314.439 Base-Backbone interact. energy: -1.210 local terms energy: -342.412644 where: bonds (distance) C4'-P energy: -59.846 bonds (distance) P-C4' energy: -61.183 flat angles C4'-P-C4' energy: -64.347 flat angles P-C4'-P energy: -56.584 tors. eta vs tors. theta energy: -100.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1050.768777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.768777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.768777 (E_RNA) where: Base-Base interactions energy: -695.405 where: short stacking energy: -297.357 Base-Backbone interact. energy: -1.929 local terms energy: -353.434994 where: bonds (distance) C4'-P energy: -66.216 bonds (distance) P-C4' energy: -60.075 flat angles C4'-P-C4' energy: -70.916 flat angles P-C4'-P energy: -54.164 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: 3, replica: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -976.641873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.641873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.641873 (E_RNA) where: Base-Base interactions energy: -677.304 where: short stacking energy: -278.205 Base-Backbone interact. energy: -1.073 local terms energy: -298.264952 where: bonds (distance) C4'-P energy: -60.158 bonds (distance) P-C4' energy: -45.307 flat angles C4'-P-C4' energy: -65.242 flat angles P-C4'-P energy: -47.257 tors. eta vs tors. theta energy: -80.301 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: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -958.586909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.586909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.586909 (E_RNA) where: Base-Base interactions energy: -633.886 where: short stacking energy: -274.487 Base-Backbone interact. energy: 3.468 local terms energy: -328.169575 where: bonds (distance) C4'-P energy: -61.322 bonds (distance) P-C4' energy: -61.116 flat angles C4'-P-C4' energy: -61.201 flat angles P-C4'-P energy: -56.350 tors. eta vs tors. theta energy: -88.182 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: 5, replica: 1 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -851.061954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.061954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.061954 (E_RNA) where: Base-Base interactions energy: -562.840 where: short stacking energy: -238.842 Base-Backbone interact. energy: -2.456 local terms energy: -285.765840 where: bonds (distance) C4'-P energy: -52.552 bonds (distance) P-C4' energy: -60.258 flat angles C4'-P-C4' energy: -64.654 flat angles P-C4'-P energy: -40.368 tors. eta vs tors. theta energy: -67.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -646.073115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.073115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.073115 (E_RNA) where: Base-Base interactions energy: -414.645 where: short stacking energy: -195.037 Base-Backbone interact. energy: -0.270 local terms energy: -231.158423 where: bonds (distance) C4'-P energy: -44.369 bonds (distance) P-C4' energy: -56.445 flat angles C4'-P-C4' energy: -56.492 flat angles P-C4'-P energy: -37.575 tors. eta vs tors. theta energy: -36.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -556.530457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.530457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.530457 (E_RNA) where: Base-Base interactions energy: -340.049 where: short stacking energy: -162.193 Base-Backbone interact. energy: -0.186 local terms energy: -216.295135 where: bonds (distance) C4'-P energy: -49.203 bonds (distance) P-C4' energy: -56.048 flat angles C4'-P-C4' energy: -44.095 flat angles P-C4'-P energy: -34.451 tors. eta vs tors. theta energy: -32.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -449.990429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.990429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.990429 (E_RNA) where: Base-Base interactions energy: -231.372 where: short stacking energy: -115.986 Base-Backbone interact. energy: 1.683 local terms energy: -220.301206 where: bonds (distance) C4'-P energy: -54.811 bonds (distance) P-C4' energy: -58.848 flat angles C4'-P-C4' energy: -64.805 flat angles P-C4'-P energy: -31.773 tors. eta vs tors. theta energy: -10.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -436.054848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.054848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.054848 (E_RNA) where: Base-Base interactions energy: -245.672 where: short stacking energy: -110.526 Base-Backbone interact. energy: -3.675 local terms energy: -186.707116 where: bonds (distance) C4'-P energy: -50.047 bonds (distance) P-C4' energy: -56.364 flat angles C4'-P-C4' energy: -41.649 flat angles P-C4'-P energy: -28.383 tors. eta vs tors. theta energy: -10.263 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: 3 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -286.160220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.160220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.160220 (E_RNA) where: Base-Base interactions energy: -110.488 where: short stacking energy: -93.174 Base-Backbone interact. energy: -0.790 local terms energy: -174.882766 where: bonds (distance) C4'-P energy: -46.885 bonds (distance) P-C4' energy: -36.135 flat angles C4'-P-C4' energy: -51.631 flat angles P-C4'-P energy: -39.302 tors. eta vs tors. theta energy: -0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1095.822550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.822550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.822550 (E_RNA) where: Base-Base interactions energy: -759.785 where: short stacking energy: -329.322 Base-Backbone interact. energy: -2.612 local terms energy: -333.425281 where: bonds (distance) C4'-P energy: -51.500 bonds (distance) P-C4' energy: -65.751 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -48.414 tors. eta vs tors. theta energy: -96.816 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: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1048.287224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.287224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.287224 (E_RNA) where: Base-Base interactions energy: -718.190 where: short stacking energy: -304.552 Base-Backbone interact. energy: -0.601 local terms energy: -329.496063 where: bonds (distance) C4'-P energy: -56.849 bonds (distance) P-C4' energy: -59.103 flat angles C4'-P-C4' energy: -69.368 flat angles P-C4'-P energy: -42.301 tors. eta vs tors. theta energy: -101.876 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: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -972.682956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.682956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.682956 (E_RNA) where: Base-Base interactions energy: -632.495 where: short stacking energy: -285.404 Base-Backbone interact. energy: -0.705 local terms energy: -339.483255 where: bonds (distance) C4'-P energy: -63.535 bonds (distance) P-C4' energy: -63.075 flat angles C4'-P-C4' energy: -68.510 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: -96.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -930.641163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.641163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.641163 (E_RNA) where: Base-Base interactions energy: -652.357 where: short stacking energy: -260.398 Base-Backbone interact. energy: 0.199 local terms energy: -278.483568 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -62.701 flat angles C4'-P-C4' energy: -55.589 flat angles P-C4'-P energy: -32.319 tors. eta vs tors. theta energy: -77.066 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: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -831.689079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.689079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.689079 (E_RNA) where: Base-Base interactions energy: -541.767 where: short stacking energy: -218.838 Base-Backbone interact. energy: 1.212 local terms energy: -291.133671 where: bonds (distance) C4'-P energy: -62.219 bonds (distance) P-C4' energy: -58.453 flat angles C4'-P-C4' energy: -56.982 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -67.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -635.766226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.766226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.766226 (E_RNA) where: Base-Base interactions energy: -368.499 where: short stacking energy: -179.832 Base-Backbone interact. energy: 0.267 local terms energy: -267.534223 where: bonds (distance) C4'-P energy: -59.716 bonds (distance) P-C4' energy: -65.173 flat angles C4'-P-C4' energy: -60.615 flat angles P-C4'-P energy: -41.122 tors. eta vs tors. theta energy: -40.908 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: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -537.756826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.756826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.756826 (E_RNA) where: Base-Base interactions energy: -305.070 where: short stacking energy: -158.568 Base-Backbone interact. energy: 2.396 local terms energy: -235.082157 where: bonds (distance) C4'-P energy: -53.465 bonds (distance) P-C4' energy: -55.619 flat angles C4'-P-C4' energy: -57.996 flat angles P-C4'-P energy: -37.256 tors. eta vs tors. theta energy: -30.746 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: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -471.885836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.885836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.885836 (E_RNA) where: Base-Base interactions energy: -264.591 where: short stacking energy: -109.073 Base-Backbone interact. energy: 1.165 local terms energy: -208.459875 where: bonds (distance) C4'-P energy: -59.897 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -44.588 flat angles P-C4'-P energy: -35.954 tors. eta vs tors. theta energy: -9.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -502.091425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.091425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.091425 (E_RNA) where: Base-Base interactions energy: -301.332 where: short stacking energy: -138.405 Base-Backbone interact. energy: -3.100 local terms energy: -197.658960 where: bonds (distance) C4'-P energy: -46.238 bonds (distance) P-C4' energy: -50.079 flat angles C4'-P-C4' energy: -53.871 flat angles P-C4'-P energy: -26.491 tors. eta vs tors. theta energy: -20.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -256.978110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.978110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.978110 (E_RNA) where: Base-Base interactions energy: -71.201 where: short stacking energy: -71.087 Base-Backbone interact. energy: -0.937 local terms energy: -184.839909 where: bonds (distance) C4'-P energy: -52.381 bonds (distance) P-C4' energy: -54.780 flat angles C4'-P-C4' energy: -53.544 flat angles P-C4'-P energy: -31.127 tors. eta vs tors. theta energy: 6.992 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: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1096.716065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.716065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.716065 (E_RNA) where: Base-Base interactions energy: -758.539 where: short stacking energy: -313.592 Base-Backbone interact. energy: -2.188 local terms energy: -335.989545 where: bonds (distance) C4'-P energy: -55.314 bonds (distance) P-C4' energy: -61.321 flat angles C4'-P-C4' energy: -69.085 flat angles P-C4'-P energy: -50.822 tors. eta vs tors. theta energy: -99.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1045.393901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.393901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.393901 (E_RNA) where: Base-Base interactions energy: -711.861 where: short stacking energy: -323.407 Base-Backbone interact. energy: -3.140 local terms energy: -330.392607 where: bonds (distance) C4'-P energy: -55.558 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -40.028 tors. eta vs tors. theta energy: -107.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -982.660812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.660812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.660812 (E_RNA) where: Base-Base interactions energy: -678.957 where: short stacking energy: -303.172 Base-Backbone interact. energy: -1.681 local terms energy: -302.023112 where: bonds (distance) C4'-P energy: -52.268 bonds (distance) P-C4' energy: -57.226 flat angles C4'-P-C4' energy: -63.757 flat angles P-C4'-P energy: -41.091 tors. eta vs tors. theta energy: -87.681 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: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -937.059741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.059741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.059741 (E_RNA) where: Base-Base interactions energy: -633.374 where: short stacking energy: -278.074 Base-Backbone interact. energy: -1.922 local terms energy: -301.763415 where: bonds (distance) C4'-P energy: -51.876 bonds (distance) P-C4' energy: -54.063 flat angles C4'-P-C4' energy: -68.553 flat angles P-C4'-P energy: -45.765 tors. eta vs tors. theta energy: -81.506 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -829.183435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.183435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.183435 (E_RNA) where: Base-Base interactions energy: -550.570 where: short stacking energy: -243.071 Base-Backbone interact. energy: -1.766 local terms energy: -276.847401 where: bonds (distance) C4'-P energy: -59.288 bonds (distance) P-C4' energy: -65.844 flat angles C4'-P-C4' energy: -53.525 flat angles P-C4'-P energy: -30.224 tors. eta vs tors. theta energy: -67.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -648.284543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.284543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.284543 (E_RNA) where: Base-Base interactions energy: -374.187 where: short stacking energy: -171.798 Base-Backbone interact. energy: 0.258 local terms energy: -274.356269 where: bonds (distance) C4'-P energy: -61.850 bonds (distance) P-C4' energy: -63.434 flat angles C4'-P-C4' energy: -60.815 flat angles P-C4'-P energy: -42.269 tors. eta vs tors. theta energy: -45.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -589.849824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.849824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.849824 (E_RNA) where: Base-Base interactions energy: -375.845 where: short stacking energy: -175.612 Base-Backbone interact. energy: 0.101 local terms energy: -214.105826 where: bonds (distance) C4'-P energy: -33.752 bonds (distance) P-C4' energy: -58.336 flat angles C4'-P-C4' energy: -55.048 flat angles P-C4'-P energy: -30.341 tors. eta vs tors. theta energy: -36.628 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: 8, replica: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -540.260088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.260088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.260088 (E_RNA) where: Base-Base interactions energy: -322.750 where: short stacking energy: -136.361 Base-Backbone interact. energy: 1.328 local terms energy: -218.837624 where: bonds (distance) C4'-P energy: -56.293 bonds (distance) P-C4' energy: -60.280 flat angles C4'-P-C4' energy: -51.742 flat angles P-C4'-P energy: -31.125 tors. eta vs tors. theta energy: -19.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -549.515230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.515230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.515230 (E_RNA) where: Base-Base interactions energy: -337.591 where: short stacking energy: -145.029 Base-Backbone interact. energy: -1.238 local terms energy: -210.687043 where: bonds (distance) C4'-P energy: -33.342 bonds (distance) P-C4' energy: -65.163 flat angles C4'-P-C4' energy: -52.985 flat angles P-C4'-P energy: -31.836 tors. eta vs tors. theta energy: -27.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -261.643715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.643715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.643715 (E_RNA) where: Base-Base interactions energy: -94.876 where: short stacking energy: -80.783 Base-Backbone interact. energy: 0.009 local terms energy: -166.776943 where: bonds (distance) C4'-P energy: -58.002 bonds (distance) P-C4' energy: -56.102 flat angles C4'-P-C4' energy: -44.233 flat angles P-C4'-P energy: -22.816 tors. eta vs tors. theta energy: 14.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1115.441174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.441174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.441174 (E_RNA) where: Base-Base interactions energy: -759.172 where: short stacking energy: -325.588 Base-Backbone interact. energy: -0.116 local terms energy: -356.153161 where: bonds (distance) C4'-P energy: -65.399 bonds (distance) P-C4' energy: -69.158 flat angles C4'-P-C4' energy: -75.124 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: -102.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1016.483342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.483342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.483342 (E_RNA) where: Base-Base interactions energy: -691.656 where: short stacking energy: -299.217 Base-Backbone interact. energy: 0.638 local terms energy: -325.465918 where: bonds (distance) C4'-P energy: -57.538 bonds (distance) P-C4' energy: -63.791 flat angles C4'-P-C4' energy: -67.221 flat angles P-C4'-P energy: -43.606 tors. eta vs tors. theta energy: -93.310 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: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -966.258277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.258277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.258277 (E_RNA) where: Base-Base interactions energy: -659.960 where: short stacking energy: -265.402 Base-Backbone interact. energy: -1.940 local terms energy: -304.359011 where: bonds (distance) C4'-P energy: -63.455 bonds (distance) P-C4' energy: -61.586 flat angles C4'-P-C4' energy: -64.764 flat angles P-C4'-P energy: -39.517 tors. eta vs tors. theta energy: -75.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -948.681342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.681342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.681342 (E_RNA) where: Base-Base interactions energy: -654.376 where: short stacking energy: -292.220 Base-Backbone interact. energy: -0.890 local terms energy: -293.414832 where: bonds (distance) C4'-P energy: -57.821 bonds (distance) P-C4' energy: -38.595 flat angles C4'-P-C4' energy: -66.089 flat angles P-C4'-P energy: -43.919 tors. eta vs tors. theta energy: -86.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -833.036098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.036098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.036098 (E_RNA) where: Base-Base interactions energy: -536.663 where: short stacking energy: -234.550 Base-Backbone interact. energy: -2.621 local terms energy: -293.752813 where: bonds (distance) C4'-P energy: -45.873 bonds (distance) P-C4' energy: -55.783 flat angles C4'-P-C4' energy: -75.777 flat angles P-C4'-P energy: -43.435 tors. eta vs tors. theta energy: -72.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -648.939048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.939048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.939048 (E_RNA) where: Base-Base interactions energy: -408.185 where: short stacking energy: -185.042 Base-Backbone interact. energy: -0.416 local terms energy: -240.338686 where: bonds (distance) C4'-P energy: -56.402 bonds (distance) P-C4' energy: -58.905 flat angles C4'-P-C4' energy: -56.700 flat angles P-C4'-P energy: -39.268 tors. eta vs tors. theta energy: -29.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -557.825486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.825486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.825486 (E_RNA) where: Base-Base interactions energy: -331.047 where: short stacking energy: -162.202 Base-Backbone interact. energy: -1.035 local terms energy: -225.743568 where: bonds (distance) C4'-P energy: -44.097 bonds (distance) P-C4' energy: -51.309 flat angles C4'-P-C4' energy: -66.486 flat angles P-C4'-P energy: -33.016 tors. eta vs tors. theta energy: -30.836 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: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -518.384567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.384567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.384567 (E_RNA) where: Base-Base interactions energy: -305.899 where: short stacking energy: -140.610 Base-Backbone interact. energy: -1.367 local terms energy: -211.118772 where: bonds (distance) C4'-P energy: -60.304 bonds (distance) P-C4' energy: -50.862 flat angles C4'-P-C4' energy: -50.251 flat angles P-C4'-P energy: -36.417 tors. eta vs tors. theta energy: -13.285 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: 9, replica: 4 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -534.171013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.171013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.171013 (E_RNA) where: Base-Base interactions energy: -327.321 where: short stacking energy: -146.410 Base-Backbone interact. energy: -0.293 local terms energy: -206.556595 where: bonds (distance) C4'-P energy: -43.124 bonds (distance) P-C4' energy: -58.931 flat angles C4'-P-C4' energy: -55.662 flat angles P-C4'-P energy: -31.357 tors. eta vs tors. theta energy: -17.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -283.785574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.785574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.785574 (E_RNA) where: Base-Base interactions energy: -131.993 where: short stacking energy: -96.843 Base-Backbone interact. energy: 0.283 local terms energy: -152.075457 where: bonds (distance) C4'-P energy: -45.050 bonds (distance) P-C4' energy: -52.591 flat angles C4'-P-C4' energy: -34.150 flat angles P-C4'-P energy: -11.819 tors. eta vs tors. theta energy: -8.464 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: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1099.574324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.574324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.574324 (E_RNA) where: Base-Base interactions energy: -754.993 where: short stacking energy: -315.055 Base-Backbone interact. energy: -0.725 local terms energy: -343.856301 where: bonds (distance) C4'-P energy: -65.749 bonds (distance) P-C4' energy: -66.435 flat angles C4'-P-C4' energy: -68.124 flat angles P-C4'-P energy: -48.523 tors. eta vs tors. theta energy: -95.026 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: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1056.621130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.621130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.621130 (E_RNA) where: Base-Base interactions energy: -726.659 where: short stacking energy: -320.813 Base-Backbone interact. energy: 0.668 local terms energy: -330.629856 where: bonds (distance) C4'-P energy: -54.627 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -68.039 flat angles P-C4'-P energy: -47.955 tors. eta vs tors. theta energy: -97.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -969.388284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.388284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.388284 (E_RNA) where: Base-Base interactions energy: -644.227 where: short stacking energy: -260.608 Base-Backbone interact. energy: -0.577 local terms energy: -324.584501 where: bonds (distance) C4'-P energy: -68.611 bonds (distance) P-C4' energy: -65.951 flat angles C4'-P-C4' energy: -72.350 flat angles P-C4'-P energy: -38.126 tors. eta vs tors. theta energy: -79.546 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: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -965.192734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.192734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.192734 (E_RNA) where: Base-Base interactions energy: -642.347 where: short stacking energy: -267.873 Base-Backbone interact. energy: -1.160 local terms energy: -321.685479 where: bonds (distance) C4'-P energy: -64.550 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -62.952 flat angles P-C4'-P energy: -49.030 tors. eta vs tors. theta energy: -80.632 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: 5, replica: 1 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -794.655199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.655199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.655199 (E_RNA) where: Base-Base interactions energy: -516.238 where: short stacking energy: -243.457 Base-Backbone interact. energy: -2.432 local terms energy: -275.985191 where: bonds (distance) C4'-P energy: -64.974 bonds (distance) P-C4' energy: -58.868 flat angles C4'-P-C4' energy: -40.317 flat angles P-C4'-P energy: -38.279 tors. eta vs tors. theta energy: -73.548 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: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -608.371319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.371319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.371319 (E_RNA) where: Base-Base interactions energy: -371.553 where: short stacking energy: -164.873 Base-Backbone interact. energy: 4.264 local terms energy: -241.082440 where: bonds (distance) C4'-P energy: -55.972 bonds (distance) P-C4' energy: -48.504 flat angles C4'-P-C4' energy: -55.111 flat angles P-C4'-P energy: -46.807 tors. eta vs tors. theta energy: -34.687 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: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -577.895667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.895667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.895667 (E_RNA) where: Base-Base interactions energy: -345.230 where: short stacking energy: -171.156 Base-Backbone interact. energy: 0.868 local terms energy: -233.533927 where: bonds (distance) C4'-P energy: -48.682 bonds (distance) P-C4' energy: -66.075 flat angles C4'-P-C4' energy: -52.829 flat angles P-C4'-P energy: -32.274 tors. eta vs tors. theta energy: -33.674 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: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -471.342127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.342127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.342127 (E_RNA) where: Base-Base interactions energy: -256.382 where: short stacking energy: -141.291 Base-Backbone interact. energy: 1.426 local terms energy: -216.386494 where: bonds (distance) C4'-P energy: -47.757 bonds (distance) P-C4' energy: -60.923 flat angles C4'-P-C4' energy: -44.211 flat angles P-C4'-P energy: -44.283 tors. eta vs tors. theta energy: -19.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -493.809632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.809632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.809632 (E_RNA) where: Base-Base interactions energy: -293.870 where: short stacking energy: -131.503 Base-Backbone interact. energy: 2.352 local terms energy: -202.291951 where: bonds (distance) C4'-P energy: -53.347 bonds (distance) P-C4' energy: -56.557 flat angles C4'-P-C4' energy: -44.318 flat angles P-C4'-P energy: -25.253 tors. eta vs tors. theta energy: -22.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -259.426991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.426991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.426991 (E_RNA) where: Base-Base interactions energy: -108.517 where: short stacking energy: -56.897 Base-Backbone interact. energy: 2.117 local terms energy: -153.027291 where: bonds (distance) C4'-P energy: -60.753 bonds (distance) P-C4' energy: -46.673 flat angles C4'-P-C4' energy: -45.461 flat angles P-C4'-P energy: -21.709 tors. eta vs tors. theta energy: 21.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1086.868144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.868144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.868144 (E_RNA) where: Base-Base interactions energy: -750.051 where: short stacking energy: -330.392 Base-Backbone interact. energy: -0.929 local terms energy: -335.887723 where: bonds (distance) C4'-P energy: -66.216 bonds (distance) P-C4' energy: -64.068 flat angles C4'-P-C4' energy: -69.830 flat angles P-C4'-P energy: -38.995 tors. eta vs tors. theta energy: -96.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1044.762448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.762448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.762448 (E_RNA) where: Base-Base interactions energy: -717.852 where: short stacking energy: -298.146 Base-Backbone interact. energy: -0.802 local terms energy: -326.108207 where: bonds (distance) C4'-P energy: -59.614 bonds (distance) P-C4' energy: -60.624 flat angles C4'-P-C4' energy: -72.352 flat angles P-C4'-P energy: -42.157 tors. eta vs tors. theta energy: -91.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -969.824360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.824360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.824360 (E_RNA) where: Base-Base interactions energy: -672.121 where: short stacking energy: -287.326 Base-Backbone interact. energy: -1.369 local terms energy: -296.334055 where: bonds (distance) C4'-P energy: -47.969 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -64.259 flat angles P-C4'-P energy: -48.623 tors. eta vs tors. theta energy: -78.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -970.775894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.775894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.775894 (E_RNA) where: Base-Base interactions energy: -650.760 where: short stacking energy: -262.105 Base-Backbone interact. energy: 0.284 local terms energy: -320.299547 where: bonds (distance) C4'-P energy: -59.543 bonds (distance) P-C4' energy: -61.576 flat angles C4'-P-C4' energy: -70.240 flat angles P-C4'-P energy: -47.155 tors. eta vs tors. theta energy: -81.786 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: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -791.138657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.138657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.138657 (E_RNA) where: Base-Base interactions energy: -503.645 where: short stacking energy: -239.221 Base-Backbone interact. energy: 0.529 local terms energy: -288.023011 where: bonds (distance) C4'-P energy: -62.021 bonds (distance) P-C4' energy: -54.417 flat angles C4'-P-C4' energy: -69.757 flat angles P-C4'-P energy: -35.495 tors. eta vs tors. theta energy: -66.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -575.932847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.932847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.932847 (E_RNA) where: Base-Base interactions energy: -346.398 where: short stacking energy: -151.503 Base-Backbone interact. energy: -0.340 local terms energy: -229.195290 where: bonds (distance) C4'-P energy: -57.988 bonds (distance) P-C4' energy: -58.524 flat angles C4'-P-C4' energy: -54.323 flat angles P-C4'-P energy: -32.300 tors. eta vs tors. theta energy: -26.060 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: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -594.843720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.843720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.843720 (E_RNA) where: Base-Base interactions energy: -353.065 where: short stacking energy: -175.195 Base-Backbone interact. energy: -1.102 local terms energy: -240.676099 where: bonds (distance) C4'-P energy: -40.691 bonds (distance) P-C4' energy: -62.793 flat angles C4'-P-C4' energy: -55.030 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -34.165 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: 8, replica: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -491.269748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.269748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.269748 (E_RNA) where: Base-Base interactions energy: -278.175 where: short stacking energy: -153.007 Base-Backbone interact. energy: -1.277 local terms energy: -211.818054 where: bonds (distance) C4'-P energy: -46.425 bonds (distance) P-C4' energy: -64.154 flat angles C4'-P-C4' energy: -44.344 flat angles P-C4'-P energy: -29.157 tors. eta vs tors. theta energy: -27.738 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: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -556.341715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.341715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.341715 (E_RNA) where: Base-Base interactions energy: -321.285 where: short stacking energy: -141.009 Base-Backbone interact. energy: 0.289 local terms energy: -235.345650 where: bonds (distance) C4'-P energy: -54.572 bonds (distance) P-C4' energy: -57.926 flat angles C4'-P-C4' energy: -48.901 flat angles P-C4'-P energy: -39.184 tors. eta vs tors. theta energy: -34.764 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: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -255.668245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.668245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.668245 (E_RNA) where: Base-Base interactions energy: -71.213 where: short stacking energy: -58.796 Base-Backbone interact. energy: -1.644 local terms energy: -182.810987 where: bonds (distance) C4'-P energy: -47.422 bonds (distance) P-C4' energy: -53.309 flat angles C4'-P-C4' energy: -52.989 flat angles P-C4'-P energy: -35.001 tors. eta vs tors. theta energy: 5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1066.380108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.380108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.380108 (E_RNA) where: Base-Base interactions energy: -732.652 where: short stacking energy: -311.283 Base-Backbone interact. energy: 0.041 local terms energy: -333.769590 where: bonds (distance) C4'-P energy: -59.108 bonds (distance) P-C4' energy: -64.887 flat angles C4'-P-C4' energy: -74.261 flat angles P-C4'-P energy: -46.688 tors. eta vs tors. theta energy: -88.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1053.488004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.488004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.488004 (E_RNA) where: Base-Base interactions energy: -723.284 where: short stacking energy: -290.328 Base-Backbone interact. energy: 3.154 local terms energy: -333.358364 where: bonds (distance) C4'-P energy: -65.340 bonds (distance) P-C4' energy: -52.852 flat angles C4'-P-C4' energy: -66.696 flat angles P-C4'-P energy: -51.577 tors. eta vs tors. theta energy: -96.894 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: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -967.996980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.996980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.996980 (E_RNA) where: Base-Base interactions energy: -669.975 where: short stacking energy: -284.290 Base-Backbone interact. energy: -0.290 local terms energy: -297.732267 where: bonds (distance) C4'-P energy: -53.100 bonds (distance) P-C4' energy: -52.227 flat angles C4'-P-C4' energy: -69.410 flat angles P-C4'-P energy: -39.033 tors. eta vs tors. theta energy: -83.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -925.607048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.607048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.607048 (E_RNA) where: Base-Base interactions energy: -616.824 where: short stacking energy: -244.970 Base-Backbone interact. energy: -1.155 local terms energy: -307.629011 where: bonds (distance) C4'-P energy: -57.586 bonds (distance) P-C4' energy: -66.479 flat angles C4'-P-C4' energy: -58.270 flat angles P-C4'-P energy: -43.900 tors. eta vs tors. theta energy: -81.393 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: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -781.528788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.528788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.528788 (E_RNA) where: Base-Base interactions energy: -494.178 where: short stacking energy: -238.630 Base-Backbone interact. energy: -1.102 local terms energy: -286.248863 where: bonds (distance) C4'-P energy: -50.928 bonds (distance) P-C4' energy: -67.500 flat angles C4'-P-C4' energy: -58.672 flat angles P-C4'-P energy: -42.894 tors. eta vs tors. theta energy: -66.255 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: 291 Temperature: 1.150000 Total energy: -621.148144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.148144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.148144 (E_RNA) where: Base-Base interactions energy: -376.508 where: short stacking energy: -164.978 Base-Backbone interact. energy: 1.582 local terms energy: -246.221584 where: bonds (distance) C4'-P energy: -52.550 bonds (distance) P-C4' energy: -64.013 flat angles C4'-P-C4' energy: -56.198 flat angles P-C4'-P energy: -36.844 tors. eta vs tors. theta energy: -36.617 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: 2 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -572.704902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.704902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.704902 (E_RNA) where: Base-Base interactions energy: -338.171 where: short stacking energy: -176.151 Base-Backbone interact. energy: -1.085 local terms energy: -233.449550 where: bonds (distance) C4'-P energy: -60.913 bonds (distance) P-C4' energy: -58.327 flat angles C4'-P-C4' energy: -47.644 flat angles P-C4'-P energy: -30.079 tors. eta vs tors. theta energy: -36.487 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: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -555.042774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.042774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.042774 (E_RNA) where: Base-Base interactions energy: -331.309 where: short stacking energy: -146.892 Base-Backbone interact. energy: -1.181 local terms energy: -222.552984 where: bonds (distance) C4'-P energy: -61.664 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -49.093 flat angles P-C4'-P energy: -24.651 tors. eta vs tors. theta energy: -27.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -431.689432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.689432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.689432 (E_RNA) where: Base-Base interactions energy: -232.017 where: short stacking energy: -119.199 Base-Backbone interact. energy: 0.076 local terms energy: -199.748766 where: bonds (distance) C4'-P energy: -55.437 bonds (distance) P-C4' energy: -58.804 flat angles C4'-P-C4' energy: -39.198 flat angles P-C4'-P energy: -38.459 tors. eta vs tors. theta energy: -7.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -256.108976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.108976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.108976 (E_RNA) where: Base-Base interactions energy: -93.938 where: short stacking energy: -75.789 Base-Backbone interact. energy: -1.041 local terms energy: -161.129855 where: bonds (distance) C4'-P energy: -46.482 bonds (distance) P-C4' energy: -52.810 flat angles C4'-P-C4' energy: -42.410 flat angles P-C4'-P energy: -27.956 tors. eta vs tors. theta energy: 8.528 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: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1059.396636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.396636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.396636 (E_RNA) where: Base-Base interactions energy: -701.531 where: short stacking energy: -299.772 Base-Backbone interact. energy: -1.968 local terms energy: -355.897441 where: bonds (distance) C4'-P energy: -63.603 bonds (distance) P-C4' energy: -75.807 flat angles C4'-P-C4' energy: -70.518 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -96.871 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: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1026.466716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.466716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.466716 (E_RNA) where: Base-Base interactions energy: -703.461 where: short stacking energy: -294.844 Base-Backbone interact. energy: 0.166 local terms energy: -323.171923 where: bonds (distance) C4'-P energy: -60.374 bonds (distance) P-C4' energy: -58.303 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -45.512 tors. eta vs tors. theta energy: -92.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -955.943509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.943509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.943509 (E_RNA) where: Base-Base interactions energy: -633.825 where: short stacking energy: -272.499 Base-Backbone interact. energy: -1.216 local terms energy: -320.902851 where: bonds (distance) C4'-P energy: -53.640 bonds (distance) P-C4' energy: -68.032 flat angles C4'-P-C4' energy: -62.636 flat angles P-C4'-P energy: -45.090 tors. eta vs tors. theta energy: -91.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -944.920812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.920812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.920812 (E_RNA) where: Base-Base interactions energy: -631.198 where: short stacking energy: -274.845 Base-Backbone interact. energy: -0.788 local terms energy: -312.934547 where: bonds (distance) C4'-P energy: -50.286 bonds (distance) P-C4' energy: -57.414 flat angles C4'-P-C4' energy: -71.194 flat angles P-C4'-P energy: -49.240 tors. eta vs tors. theta energy: -84.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -776.040343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.040343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.040343 (E_RNA) where: Base-Base interactions energy: -496.615 where: short stacking energy: -215.302 Base-Backbone interact. energy: -2.347 local terms energy: -277.078454 where: bonds (distance) C4'-P energy: -59.360 bonds (distance) P-C4' energy: -56.256 flat angles C4'-P-C4' energy: -63.726 flat angles P-C4'-P energy: -36.085 tors. eta vs tors. theta energy: -61.651 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: 292 Temperature: 1.150000 Total energy: -609.709769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.709769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.709769 (E_RNA) where: Base-Base interactions energy: -354.400 where: short stacking energy: -164.374 Base-Backbone interact. energy: -0.599 local terms energy: -254.710713 where: bonds (distance) C4'-P energy: -56.168 bonds (distance) P-C4' energy: -54.262 flat angles C4'-P-C4' energy: -62.121 flat angles P-C4'-P energy: -46.279 tors. eta vs tors. theta energy: -35.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -648.596492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.596492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.596492 (E_RNA) where: Base-Base interactions energy: -407.868 where: short stacking energy: -182.236 Base-Backbone interact. energy: -0.704 local terms energy: -240.023824 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -61.882 flat angles C4'-P-C4' energy: -59.260 flat angles P-C4'-P energy: -30.857 tors. eta vs tors. theta energy: -30.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -549.849585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.849585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.849585 (E_RNA) where: Base-Base interactions energy: -313.376 where: short stacking energy: -147.414 Base-Backbone interact. energy: -0.149 local terms energy: -236.324361 where: bonds (distance) C4'-P energy: -53.184 bonds (distance) P-C4' energy: -61.410 flat angles C4'-P-C4' energy: -64.299 flat angles P-C4'-P energy: -31.480 tors. eta vs tors. theta energy: -25.953 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: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -433.408070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.408070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.408070 (E_RNA) where: Base-Base interactions energy: -234.535 where: short stacking energy: -102.748 Base-Backbone interact. energy: -1.722 local terms energy: -197.151430 where: bonds (distance) C4'-P energy: -56.493 bonds (distance) P-C4' energy: -52.057 flat angles C4'-P-C4' energy: -49.695 flat angles P-C4'-P energy: -27.371 tors. eta vs tors. theta energy: -11.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -311.355054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.355054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.355054 (E_RNA) where: Base-Base interactions energy: -130.689 where: short stacking energy: -76.247 Base-Backbone interact. energy: 0.845 local terms energy: -181.511128 where: bonds (distance) C4'-P energy: -52.852 bonds (distance) P-C4' energy: -54.666 flat angles C4'-P-C4' energy: -40.306 flat angles P-C4'-P energy: -35.401 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: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1091.028008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.028008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.028008 (E_RNA) where: Base-Base interactions energy: -738.521 where: short stacking energy: -311.257 Base-Backbone interact. energy: 1.225 local terms energy: -353.731182 where: bonds (distance) C4'-P energy: -62.243 bonds (distance) P-C4' energy: -66.686 flat angles C4'-P-C4' energy: -75.518 flat angles P-C4'-P energy: -50.411 tors. eta vs tors. theta energy: -98.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1038.412616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.412616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.412616 (E_RNA) where: Base-Base interactions energy: -700.830 where: short stacking energy: -307.720 Base-Backbone interact. energy: 0.078 local terms energy: -337.660332 where: bonds (distance) C4'-P energy: -63.290 bonds (distance) P-C4' energy: -62.155 flat angles C4'-P-C4' energy: -69.770 flat angles P-C4'-P energy: -51.956 tors. eta vs tors. theta energy: -90.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -982.924290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.924290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.924290 (E_RNA) where: Base-Base interactions energy: -679.547 where: short stacking energy: -275.513 Base-Backbone interact. energy: -2.995 local terms energy: -300.382075 where: bonds (distance) C4'-P energy: -63.102 bonds (distance) P-C4' energy: -55.894 flat angles C4'-P-C4' energy: -64.456 flat angles P-C4'-P energy: -36.984 tors. eta vs tors. theta energy: -79.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -928.642247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.642247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.642247 (E_RNA) where: Base-Base interactions energy: -630.623 where: short stacking energy: -271.466 Base-Backbone interact. energy: -3.690 local terms energy: -294.329004 where: bonds (distance) C4'-P energy: -60.865 bonds (distance) P-C4' energy: -41.635 flat angles C4'-P-C4' energy: -68.905 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -74.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -757.726257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.726257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.726257 (E_RNA) where: Base-Base interactions energy: -472.543 where: short stacking energy: -224.749 Base-Backbone interact. energy: -1.603 local terms energy: -283.581028 where: bonds (distance) C4'-P energy: -56.286 bonds (distance) P-C4' energy: -63.812 flat angles C4'-P-C4' energy: -61.063 flat angles P-C4'-P energy: -41.264 tors. eta vs tors. theta energy: -61.156 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: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -708.137889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.137889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.137889 (E_RNA) where: Base-Base interactions energy: -444.043 where: short stacking energy: -189.387 Base-Backbone interact. energy: -0.065 local terms energy: -264.029535 where: bonds (distance) C4'-P energy: -62.130 bonds (distance) P-C4' energy: -58.159 flat angles C4'-P-C4' energy: -61.247 flat angles P-C4'-P energy: -35.311 tors. eta vs tors. theta energy: -47.183 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: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -602.816098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.816098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.816098 (E_RNA) where: Base-Base interactions energy: -344.350 where: short stacking energy: -170.345 Base-Backbone interact. energy: -1.220 local terms energy: -257.246320 where: bonds (distance) C4'-P energy: -63.832 bonds (distance) P-C4' energy: -56.945 flat angles C4'-P-C4' energy: -61.483 flat angles P-C4'-P energy: -37.571 tors. eta vs tors. theta energy: -37.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -491.407799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.407799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.407799 (E_RNA) where: Base-Base interactions energy: -252.632 where: short stacking energy: -153.639 Base-Backbone interact. energy: 4.089 local terms energy: -242.864835 where: bonds (distance) C4'-P energy: -63.736 bonds (distance) P-C4' energy: -58.815 flat angles C4'-P-C4' energy: -52.719 flat angles P-C4'-P energy: -44.209 tors. eta vs tors. theta energy: -23.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -459.479739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.479739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.479739 (E_RNA) where: Base-Base interactions energy: -244.952 where: short stacking energy: -118.152 Base-Backbone interact. energy: -1.193 local terms energy: -213.334684 where: bonds (distance) C4'-P energy: -58.962 bonds (distance) P-C4' energy: -55.903 flat angles C4'-P-C4' energy: -62.597 flat angles P-C4'-P energy: -24.280 tors. eta vs tors. theta energy: -11.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -348.252795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.252795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.252795 (E_RNA) where: Base-Base interactions energy: -162.048 where: short stacking energy: -94.039 Base-Backbone interact. energy: -0.380 local terms energy: -185.824326 where: bonds (distance) C4'-P energy: -61.409 bonds (distance) P-C4' energy: -52.201 flat angles C4'-P-C4' energy: -39.498 flat angles P-C4'-P energy: -24.878 tors. eta vs tors. theta energy: -7.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1086.056928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.056928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.056928 (E_RNA) where: Base-Base interactions energy: -731.079 where: short stacking energy: -323.770 Base-Backbone interact. energy: -1.922 local terms energy: -353.056259 where: bonds (distance) C4'-P energy: -62.148 bonds (distance) P-C4' energy: -70.142 flat angles C4'-P-C4' energy: -67.977 flat angles P-C4'-P energy: -45.358 tors. eta vs tors. theta energy: -107.432 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: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1060.835962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.835962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.835962 (E_RNA) where: Base-Base interactions energy: -709.976 where: short stacking energy: -306.595 Base-Backbone interact. energy: -0.527 local terms energy: -350.332956 where: bonds (distance) C4'-P energy: -60.320 bonds (distance) P-C4' energy: -65.284 flat angles C4'-P-C4' energy: -72.199 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -102.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -986.290598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.290598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.290598 (E_RNA) where: Base-Base interactions energy: -651.640 where: short stacking energy: -275.929 Base-Backbone interact. energy: -1.337 local terms energy: -333.313542 where: bonds (distance) C4'-P energy: -60.935 bonds (distance) P-C4' energy: -68.902 flat angles C4'-P-C4' energy: -69.951 flat angles P-C4'-P energy: -47.052 tors. eta vs tors. theta energy: -86.473 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: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -945.336044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.336044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.336044 (E_RNA) where: Base-Base interactions energy: -626.307 where: short stacking energy: -279.299 Base-Backbone interact. energy: 0.088 local terms energy: -319.117235 where: bonds (distance) C4'-P energy: -64.810 bonds (distance) P-C4' energy: -56.262 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -48.984 tors. eta vs tors. theta energy: -84.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -774.308078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.308078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.308078 (E_RNA) where: Base-Base interactions energy: -483.137 where: short stacking energy: -222.714 Base-Backbone interact. energy: -1.567 local terms energy: -289.604384 where: bonds (distance) C4'-P energy: -63.968 bonds (distance) P-C4' energy: -58.396 flat angles C4'-P-C4' energy: -55.658 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: -64.511 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: 2 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -686.176008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.176008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.176008 (E_RNA) where: Base-Base interactions energy: -435.538 where: short stacking energy: -203.225 Base-Backbone interact. energy: -1.303 local terms energy: -249.334885 where: bonds (distance) C4'-P energy: -54.342 bonds (distance) P-C4' energy: -50.287 flat angles C4'-P-C4' energy: -54.163 flat angles P-C4'-P energy: -36.852 tors. eta vs tors. theta energy: -53.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -591.242802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.242802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.242802 (E_RNA) where: Base-Base interactions energy: -352.972 where: short stacking energy: -162.102 Base-Backbone interact. energy: -0.492 local terms energy: -237.778560 where: bonds (distance) C4'-P energy: -46.974 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -55.741 flat angles P-C4'-P energy: -37.827 tors. eta vs tors. theta energy: -33.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -496.508648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.508648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.508648 (E_RNA) where: Base-Base interactions energy: -267.043 where: short stacking energy: -144.337 Base-Backbone interact. energy: 3.137 local terms energy: -232.602796 where: bonds (distance) C4'-P energy: -59.075 bonds (distance) P-C4' energy: -60.496 flat angles C4'-P-C4' energy: -56.941 flat angles P-C4'-P energy: -34.522 tors. eta vs tors. theta energy: -21.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -444.671826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.671826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.671826 (E_RNA) where: Base-Base interactions energy: -252.634 where: short stacking energy: -131.155 Base-Backbone interact. energy: 1.838 local terms energy: -193.876602 where: bonds (distance) C4'-P energy: -41.554 bonds (distance) P-C4' energy: -58.876 flat angles C4'-P-C4' energy: -52.167 flat angles P-C4'-P energy: -28.295 tors. eta vs tors. theta energy: -12.985 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: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -312.548117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.548117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.548117 (E_RNA) where: Base-Base interactions energy: -147.870 where: short stacking energy: -95.276 Base-Backbone interact. energy: -0.150 local terms energy: -164.527871 where: bonds (distance) C4'-P energy: -51.022 bonds (distance) P-C4' energy: -43.695 flat angles C4'-P-C4' energy: -42.737 flat angles P-C4'-P energy: -28.062 tors. eta vs tors. theta energy: 0.989 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: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1080.646762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.646762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.646762 (E_RNA) where: Base-Base interactions energy: -728.228 where: short stacking energy: -312.592 Base-Backbone interact. energy: -3.345 local terms energy: -349.074012 where: bonds (distance) C4'-P energy: -66.744 bonds (distance) P-C4' energy: -61.292 flat angles C4'-P-C4' energy: -71.855 flat angles P-C4'-P energy: -44.909 tors. eta vs tors. theta energy: -104.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1057.643206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.643206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.643206 (E_RNA) where: Base-Base interactions energy: -714.230 where: short stacking energy: -324.922 Base-Backbone interact. energy: -1.686 local terms energy: -341.727792 where: bonds (distance) C4'-P energy: -60.133 bonds (distance) P-C4' energy: -65.710 flat angles C4'-P-C4' energy: -64.629 flat angles P-C4'-P energy: -51.867 tors. eta vs tors. theta energy: -99.389 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: 295 Temperature: 1.000000 Total energy: -969.026995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.026995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.026995 (E_RNA) where: Base-Base interactions energy: -669.090 where: short stacking energy: -275.428 Base-Backbone interact. energy: -1.378 local terms energy: -298.559049 where: bonds (distance) C4'-P energy: -62.111 bonds (distance) P-C4' energy: -60.458 flat angles C4'-P-C4' energy: -60.790 flat angles P-C4'-P energy: -37.641 tors. eta vs tors. theta energy: -77.559 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: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -941.260057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.260057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.260057 (E_RNA) where: Base-Base interactions energy: -629.385 where: short stacking energy: -277.864 Base-Backbone interact. energy: -0.752 local terms energy: -311.122920 where: bonds (distance) C4'-P energy: -60.995 bonds (distance) P-C4' energy: -56.732 flat angles C4'-P-C4' energy: -62.366 flat angles P-C4'-P energy: -47.359 tors. eta vs tors. theta energy: -83.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -817.812096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.812096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.812096 (E_RNA) where: Base-Base interactions energy: -522.782 where: short stacking energy: -240.962 Base-Backbone interact. energy: -1.783 local terms energy: -293.246874 where: bonds (distance) C4'-P energy: -45.812 bonds (distance) P-C4' energy: -59.620 flat angles C4'-P-C4' energy: -69.642 flat angles P-C4'-P energy: -48.845 tors. eta vs tors. theta energy: -69.329 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: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -695.054661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.054661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.054661 (E_RNA) where: Base-Base interactions energy: -440.619 where: short stacking energy: -213.933 Base-Backbone interact. energy: -0.424 local terms energy: -254.011540 where: bonds (distance) C4'-P energy: -54.531 bonds (distance) P-C4' energy: -60.871 flat angles C4'-P-C4' energy: -61.857 flat angles P-C4'-P energy: -29.788 tors. eta vs tors. theta energy: -46.964 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: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -590.372640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.372640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.372640 (E_RNA) where: Base-Base interactions energy: -368.065 where: short stacking energy: -179.696 Base-Backbone interact. energy: 3.978 local terms energy: -226.285754 where: bonds (distance) C4'-P energy: -61.620 bonds (distance) P-C4' energy: -46.668 flat angles C4'-P-C4' energy: -55.260 flat angles P-C4'-P energy: -22.775 tors. eta vs tors. theta energy: -39.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -477.578980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.578980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.578980 (E_RNA) where: Base-Base interactions energy: -261.765 where: short stacking energy: -153.198 Base-Backbone interact. energy: -1.909 local terms energy: -213.905381 where: bonds (distance) C4'-P energy: -57.507 bonds (distance) P-C4' energy: -55.652 flat angles C4'-P-C4' energy: -41.218 flat angles P-C4'-P energy: -39.997 tors. eta vs tors. theta energy: -19.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -461.607325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.607325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.607325 (E_RNA) where: Base-Base interactions energy: -254.729 where: short stacking energy: -124.099 Base-Backbone interact. energy: 1.475 local terms energy: -208.354184 where: bonds (distance) C4'-P energy: -47.649 bonds (distance) P-C4' energy: -58.215 flat angles C4'-P-C4' energy: -61.509 flat angles P-C4'-P energy: -32.336 tors. eta vs tors. theta energy: -8.645 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: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -300.826955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.826955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.826955 (E_RNA) where: Base-Base interactions energy: -142.188 where: short stacking energy: -85.525 Base-Backbone interact. energy: -0.638 local terms energy: -158.001399 where: bonds (distance) C4'-P energy: -49.798 bonds (distance) P-C4' energy: -55.893 flat angles C4'-P-C4' energy: -28.517 flat angles P-C4'-P energy: -33.665 tors. eta vs tors. theta energy: 9.871 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: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1090.358597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.358597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.358597 (E_RNA) where: Base-Base interactions energy: -755.574 where: short stacking energy: -318.506 Base-Backbone interact. energy: -2.987 local terms energy: -331.797326 where: bonds (distance) C4'-P energy: -60.363 bonds (distance) P-C4' energy: -66.454 flat angles C4'-P-C4' energy: -68.841 flat angles P-C4'-P energy: -35.372 tors. eta vs tors. theta energy: -100.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1055.451476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.451476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.451476 (E_RNA) where: Base-Base interactions energy: -712.504 where: short stacking energy: -316.599 Base-Backbone interact. energy: -0.300 local terms energy: -342.647094 where: bonds (distance) C4'-P energy: -67.966 bonds (distance) P-C4' energy: -62.426 flat angles C4'-P-C4' energy: -70.826 flat angles P-C4'-P energy: -42.483 tors. eta vs tors. theta energy: -98.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -960.944743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.944743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.944743 (E_RNA) where: Base-Base interactions energy: -656.209 where: short stacking energy: -275.727 Base-Backbone interact. energy: 3.243 local terms energy: -307.978299 where: bonds (distance) C4'-P energy: -59.685 bonds (distance) P-C4' energy: -62.588 flat angles C4'-P-C4' energy: -66.468 flat angles P-C4'-P energy: -42.852 tors. eta vs tors. theta energy: -76.387 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: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -918.167226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.167226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.167226 (E_RNA) where: Base-Base interactions energy: -628.948 where: short stacking energy: -271.003 Base-Backbone interact. energy: -1.599 local terms energy: -287.620767 where: bonds (distance) C4'-P energy: -63.511 bonds (distance) P-C4' energy: -52.030 flat angles C4'-P-C4' energy: -65.196 flat angles P-C4'-P energy: -26.652 tors. eta vs tors. theta energy: -80.232 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: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -785.067954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.067954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.067954 (E_RNA) where: Base-Base interactions energy: -498.672 where: short stacking energy: -218.981 Base-Backbone interact. energy: -0.782 local terms energy: -285.613916 where: bonds (distance) C4'-P energy: -58.418 bonds (distance) P-C4' energy: -50.810 flat angles C4'-P-C4' energy: -62.544 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: -67.729 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: 296 Temperature: 1.150000 Total energy: -663.807450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.807450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.807450 (E_RNA) where: Base-Base interactions energy: -396.883 where: short stacking energy: -184.210 Base-Backbone interact. energy: 1.329 local terms energy: -268.253045 where: bonds (distance) C4'-P energy: -58.752 bonds (distance) P-C4' energy: -63.265 flat angles C4'-P-C4' energy: -59.802 flat angles P-C4'-P energy: -37.797 tors. eta vs tors. theta energy: -48.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -580.651150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.651150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.651150 (E_RNA) where: Base-Base interactions energy: -329.201 where: short stacking energy: -160.674 Base-Backbone interact. energy: -0.727 local terms energy: -250.723026 where: bonds (distance) C4'-P energy: -44.572 bonds (distance) P-C4' energy: -64.914 flat angles C4'-P-C4' energy: -60.038 flat angles P-C4'-P energy: -36.312 tors. eta vs tors. theta energy: -44.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -500.564455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.564455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.564455 (E_RNA) where: Base-Base interactions energy: -291.132 where: short stacking energy: -149.066 Base-Backbone interact. energy: -1.289 local terms energy: -208.144152 where: bonds (distance) C4'-P energy: -54.153 bonds (distance) P-C4' energy: -50.440 flat angles C4'-P-C4' energy: -56.928 flat angles P-C4'-P energy: -27.793 tors. eta vs tors. theta energy: -18.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -468.444211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.444211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.444211 (E_RNA) where: Base-Base interactions energy: -246.528 where: short stacking energy: -136.789 Base-Backbone interact. energy: -0.556 local terms energy: -221.360562 where: bonds (distance) C4'-P energy: -52.831 bonds (distance) P-C4' energy: -53.169 flat angles C4'-P-C4' energy: -55.181 flat angles P-C4'-P energy: -30.867 tors. eta vs tors. theta energy: -29.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -259.862488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.862488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.862488 (E_RNA) where: Base-Base interactions energy: -103.612 where: short stacking energy: -67.307 Base-Backbone interact. energy: 0.848 local terms energy: -157.098824 where: bonds (distance) C4'-P energy: -46.682 bonds (distance) P-C4' energy: -59.359 flat angles C4'-P-C4' energy: -44.051 flat angles P-C4'-P energy: -13.289 tors. eta vs tors. theta energy: 6.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1091.038669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.038669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.038669 (E_RNA) where: Base-Base interactions energy: -745.456 where: short stacking energy: -319.667 Base-Backbone interact. energy: -2.788 local terms energy: -342.794530 where: bonds (distance) C4'-P energy: -55.243 bonds (distance) P-C4' energy: -66.909 flat angles C4'-P-C4' energy: -68.607 flat angles P-C4'-P energy: -50.190 tors. eta vs tors. theta energy: -101.847 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: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1024.962092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.962092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.962092 (E_RNA) where: Base-Base interactions energy: -688.624 where: short stacking energy: -314.084 Base-Backbone interact. energy: -1.934 local terms energy: -334.404485 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -56.486 flat angles C4'-P-C4' energy: -67.602 flat angles P-C4'-P energy: -45.033 tors. eta vs tors. theta energy: -101.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -966.108366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.108366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.108366 (E_RNA) where: Base-Base interactions energy: -676.928 where: short stacking energy: -264.183 Base-Backbone interact. energy: -1.159 local terms energy: -288.021602 where: bonds (distance) C4'-P energy: -50.072 bonds (distance) P-C4' energy: -61.752 flat angles C4'-P-C4' energy: -58.909 flat angles P-C4'-P energy: -46.194 tors. eta vs tors. theta energy: -71.095 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: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -929.808331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.808331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.808331 (E_RNA) where: Base-Base interactions energy: -619.512 where: short stacking energy: -278.040 Base-Backbone interact. energy: -0.168 local terms energy: -310.128352 where: bonds (distance) C4'-P energy: -41.957 bonds (distance) P-C4' energy: -56.844 flat angles C4'-P-C4' energy: -74.675 flat angles P-C4'-P energy: -47.207 tors. eta vs tors. theta energy: -89.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -809.086003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.086003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.086003 (E_RNA) where: Base-Base interactions energy: -513.260 where: short stacking energy: -253.667 Base-Backbone interact. energy: -0.916 local terms energy: -294.909819 where: bonds (distance) C4'-P energy: -54.721 bonds (distance) P-C4' energy: -63.584 flat angles C4'-P-C4' energy: -64.528 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -70.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -676.260628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.260628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.260628 (E_RNA) where: Base-Base interactions energy: -423.915 where: short stacking energy: -198.545 Base-Backbone interact. energy: 1.962 local terms energy: -254.307605 where: bonds (distance) C4'-P energy: -51.687 bonds (distance) P-C4' energy: -68.433 flat angles C4'-P-C4' energy: -52.109 flat angles P-C4'-P energy: -36.319 tors. eta vs tors. theta energy: -45.760 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: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -563.412351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.412351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.412351 (E_RNA) where: Base-Base interactions energy: -346.997 where: short stacking energy: -169.245 Base-Backbone interact. energy: -1.600 local terms energy: -214.815842 where: bonds (distance) C4'-P energy: -59.482 bonds (distance) P-C4' energy: -44.092 flat angles C4'-P-C4' energy: -44.899 flat angles P-C4'-P energy: -25.090 tors. eta vs tors. theta energy: -41.252 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: 8, replica: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -480.893862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.893862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.893862 (E_RNA) where: Base-Base interactions energy: -283.127 where: short stacking energy: -140.076 Base-Backbone interact. energy: 0.655 local terms energy: -198.420982 where: bonds (distance) C4'-P energy: -48.670 bonds (distance) P-C4' energy: -57.170 flat angles C4'-P-C4' energy: -47.768 flat angles P-C4'-P energy: -29.501 tors. eta vs tors. theta energy: -15.312 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: 9, replica: 6 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -454.504828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.504828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.504828 (E_RNA) where: Base-Base interactions energy: -249.587 where: short stacking energy: -131.413 Base-Backbone interact. energy: 1.229 local terms energy: -206.146990 where: bonds (distance) C4'-P energy: -44.550 bonds (distance) P-C4' energy: -57.396 flat angles C4'-P-C4' energy: -39.025 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: -24.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -269.848644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.848644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.848644 (E_RNA) where: Base-Base interactions energy: -102.792 where: short stacking energy: -93.019 Base-Backbone interact. energy: -1.189 local terms energy: -165.866928 where: bonds (distance) C4'-P energy: -50.593 bonds (distance) P-C4' energy: -43.746 flat angles C4'-P-C4' energy: -48.761 flat angles P-C4'-P energy: -28.213 tors. eta vs tors. theta energy: 5.446 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: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1105.091002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.091002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.091002 (E_RNA) where: Base-Base interactions energy: -768.678 where: short stacking energy: -326.996 Base-Backbone interact. energy: -1.375 local terms energy: -335.037788 where: bonds (distance) C4'-P energy: -55.531 bonds (distance) P-C4' energy: -58.894 flat angles C4'-P-C4' energy: -74.393 flat angles P-C4'-P energy: -45.136 tors. eta vs tors. theta energy: -101.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1044.773054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.773054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.773054 (E_RNA) where: Base-Base interactions energy: -698.903 where: short stacking energy: -299.065 Base-Backbone interact. energy: 0.054 local terms energy: -345.924209 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -66.338 flat angles C4'-P-C4' energy: -75.406 flat angles P-C4'-P energy: -45.288 tors. eta vs tors. theta energy: -98.930 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: 298 Temperature: 1.000000 Total energy: -975.311541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.311541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.311541 (E_RNA) where: Base-Base interactions energy: -665.710 where: short stacking energy: -272.658 Base-Backbone interact. energy: -1.153 local terms energy: -308.448760 where: bonds (distance) C4'-P energy: -65.563 bonds (distance) P-C4' energy: -51.390 flat angles C4'-P-C4' energy: -68.789 flat angles P-C4'-P energy: -43.875 tors. eta vs tors. theta energy: -78.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -927.323314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.323314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.323314 (E_RNA) where: Base-Base interactions energy: -606.539 where: short stacking energy: -281.302 Base-Backbone interact. energy: -2.115 local terms energy: -318.669337 where: bonds (distance) C4'-P energy: -53.237 bonds (distance) P-C4' energy: -56.319 flat angles C4'-P-C4' energy: -73.983 flat angles P-C4'-P energy: -51.168 tors. eta vs tors. theta energy: -83.963 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: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -751.349690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.349690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.349690 (E_RNA) where: Base-Base interactions energy: -466.977 where: short stacking energy: -215.015 Base-Backbone interact. energy: 0.809 local terms energy: -285.181715 where: bonds (distance) C4'-P energy: -65.776 bonds (distance) P-C4' energy: -67.652 flat angles C4'-P-C4' energy: -64.095 flat angles P-C4'-P energy: -25.857 tors. eta vs tors. theta energy: -61.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -683.185713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.185713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.185713 (E_RNA) where: Base-Base interactions energy: -430.582 where: short stacking energy: -185.084 Base-Backbone interact. energy: 2.512 local terms energy: -255.116164 where: bonds (distance) C4'-P energy: -53.460 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -57.871 flat angles P-C4'-P energy: -28.742 tors. eta vs tors. theta energy: -52.520 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: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -549.195025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.195025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.195025 (E_RNA) where: Base-Base interactions energy: -322.481 where: short stacking energy: -154.797 Base-Backbone interact. energy: 0.335 local terms energy: -227.048139 where: bonds (distance) C4'-P energy: -57.050 bonds (distance) P-C4' energy: -63.965 flat angles C4'-P-C4' energy: -59.469 flat angles P-C4'-P energy: -31.648 tors. eta vs tors. theta energy: -14.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -489.609221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.609221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.609221 (E_RNA) where: Base-Base interactions energy: -250.811 where: short stacking energy: -131.715 Base-Backbone interact. energy: -1.516 local terms energy: -237.282706 where: bonds (distance) C4'-P energy: -56.564 bonds (distance) P-C4' energy: -63.563 flat angles C4'-P-C4' energy: -49.959 flat angles P-C4'-P energy: -39.051 tors. eta vs tors. theta energy: -28.145 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: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -482.599072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.599072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.599072 (E_RNA) where: Base-Base interactions energy: -289.164 where: short stacking energy: -138.845 Base-Backbone interact. energy: 1.784 local terms energy: -195.219469 where: bonds (distance) C4'-P energy: -37.837 bonds (distance) P-C4' energy: -50.525 flat angles C4'-P-C4' energy: -61.039 flat angles P-C4'-P energy: -23.016 tors. eta vs tors. theta energy: -22.802 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: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -258.406708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.406708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.406708 (E_RNA) where: Base-Base interactions energy: -81.910 where: short stacking energy: -64.506 Base-Backbone interact. energy: 0.734 local terms energy: -177.230476 where: bonds (distance) C4'-P energy: -55.529 bonds (distance) P-C4' energy: -51.283 flat angles C4'-P-C4' energy: -57.891 flat angles P-C4'-P energy: -19.376 tors. eta vs tors. theta energy: 6.849 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: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1096.705008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.705008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.705008 (E_RNA) where: Base-Base interactions energy: -741.120 where: short stacking energy: -311.101 Base-Backbone interact. energy: 1.348 local terms energy: -356.933160 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -66.746 flat angles C4'-P-C4' energy: -66.714 flat angles P-C4'-P energy: -45.169 tors. eta vs tors. theta energy: -105.747 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: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1046.072125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.072125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.072125 (E_RNA) where: Base-Base interactions energy: -703.065 where: short stacking energy: -314.979 Base-Backbone interact. energy: 0.296 local terms energy: -343.303646 where: bonds (distance) C4'-P energy: -60.350 bonds (distance) P-C4' energy: -64.803 flat angles C4'-P-C4' energy: -73.524 flat angles P-C4'-P energy: -45.162 tors. eta vs tors. theta energy: -99.465 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: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -961.857180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.857180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.857180 (E_RNA) where: Base-Base interactions energy: -664.270 where: short stacking energy: -250.399 Base-Backbone interact. energy: -0.602 local terms energy: -296.985059 where: bonds (distance) C4'-P energy: -55.021 bonds (distance) P-C4' energy: -68.649 flat angles C4'-P-C4' energy: -60.620 flat angles P-C4'-P energy: -36.943 tors. eta vs tors. theta energy: -75.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -853.808949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.808949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.808949 (E_RNA) where: Base-Base interactions energy: -572.217 where: short stacking energy: -266.819 Base-Backbone interact. energy: -1.727 local terms energy: -279.864673 where: bonds (distance) C4'-P energy: -48.128 bonds (distance) P-C4' energy: -59.270 flat angles C4'-P-C4' energy: -57.370 flat angles P-C4'-P energy: -41.977 tors. eta vs tors. theta energy: -73.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -725.869638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.869638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.869638 (E_RNA) where: Base-Base interactions energy: -455.674 where: short stacking energy: -218.075 Base-Backbone interact. energy: -2.751 local terms energy: -267.444771 where: bonds (distance) C4'-P energy: -46.804 bonds (distance) P-C4' energy: -61.185 flat angles C4'-P-C4' energy: -61.524 flat angles P-C4'-P energy: -31.749 tors. eta vs tors. theta energy: -66.182 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: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -669.663907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.663907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.663907 (E_RNA) where: Base-Base interactions energy: -414.089 where: short stacking energy: -185.819 Base-Backbone interact. energy: -1.061 local terms energy: -254.514577 where: bonds (distance) C4'-P energy: -55.661 bonds (distance) P-C4' energy: -49.070 flat angles C4'-P-C4' energy: -69.084 flat angles P-C4'-P energy: -39.354 tors. eta vs tors. theta energy: -41.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -580.062041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.062041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.062041 (E_RNA) where: Base-Base interactions energy: -357.204 where: short stacking energy: -167.380 Base-Backbone interact. energy: -0.459 local terms energy: -222.399365 where: bonds (distance) C4'-P energy: -46.176 bonds (distance) P-C4' energy: -50.795 flat angles C4'-P-C4' energy: -52.848 flat angles P-C4'-P energy: -34.190 tors. eta vs tors. theta energy: -38.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -542.688636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.688636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.688636 (E_RNA) where: Base-Base interactions energy: -307.932 where: short stacking energy: -165.618 Base-Backbone interact. energy: -0.471 local terms energy: -234.285524 where: bonds (distance) C4'-P energy: -48.244 bonds (distance) P-C4' energy: -54.492 flat angles C4'-P-C4' energy: -56.458 flat angles P-C4'-P energy: -37.970 tors. eta vs tors. theta energy: -37.121 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: 4 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -436.645884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.645884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.645884 (E_RNA) where: Base-Base interactions energy: -240.570 where: short stacking energy: -104.815 Base-Backbone interact. energy: 0.191 local terms energy: -196.266702 where: bonds (distance) C4'-P energy: -54.697 bonds (distance) P-C4' energy: -57.827 flat angles C4'-P-C4' energy: -45.150 flat angles P-C4'-P energy: -30.525 tors. eta vs tors. theta energy: -8.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -274.283988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.283988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.283988 (E_RNA) where: Base-Base interactions energy: -124.854 where: short stacking energy: -70.441 Base-Backbone interact. energy: -0.624 local terms energy: -148.805877 where: bonds (distance) C4'-P energy: -54.920 bonds (distance) P-C4' energy: -49.794 flat angles C4'-P-C4' energy: -34.936 flat angles P-C4'-P energy: -25.345 tors. eta vs tors. theta energy: 16.189 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: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1087.731563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.731563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.731563 (E_RNA) where: Base-Base interactions energy: -740.698 where: short stacking energy: -311.987 Base-Backbone interact. energy: -0.769 local terms energy: -346.264765 where: bonds (distance) C4'-P energy: -59.437 bonds (distance) P-C4' energy: -62.080 flat angles C4'-P-C4' energy: -71.363 flat angles P-C4'-P energy: -48.355 tors. eta vs tors. theta energy: -105.030 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: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1012.243505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.243505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.243505 (E_RNA) where: Base-Base interactions energy: -678.937 where: short stacking energy: -289.652 Base-Backbone interact. energy: -1.399 local terms energy: -331.907624 where: bonds (distance) C4'-P energy: -66.574 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -60.497 flat angles P-C4'-P energy: -49.541 tors. eta vs tors. theta energy: -94.513 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: 300 Temperature: 1.000000 Total energy: -955.272786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.272786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.272786 (E_RNA) where: Base-Base interactions energy: -667.651 where: short stacking energy: -260.701 Base-Backbone interact. energy: 1.664 local terms energy: -289.286058 where: bonds (distance) C4'-P energy: -61.901 bonds (distance) P-C4' energy: -58.031 flat angles C4'-P-C4' energy: -64.097 flat angles P-C4'-P energy: -31.830 tors. eta vs tors. theta energy: -73.427 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: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -858.058234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.058234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.058234 (E_RNA) where: Base-Base interactions energy: -555.135 where: short stacking energy: -232.174 Base-Backbone interact. energy: -0.380 local terms energy: -302.543421 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -63.965 flat angles C4'-P-C4' energy: -71.341 flat angles P-C4'-P energy: -44.286 tors. eta vs tors. theta energy: -69.628 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: 300 Temperature: 1.100000 Total energy: -775.552435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.552435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.552435 (E_RNA) where: Base-Base interactions energy: -503.540 where: short stacking energy: -231.072 Base-Backbone interact. energy: -1.484 local terms energy: -270.528230 where: bonds (distance) C4'-P energy: -46.838 bonds (distance) P-C4' energy: -56.387 flat angles C4'-P-C4' energy: -63.910 flat angles P-C4'-P energy: -35.938 tors. eta vs tors. theta energy: -67.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -669.053443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.053443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.053443 (E_RNA) where: Base-Base interactions energy: -411.239 where: short stacking energy: -182.368 Base-Backbone interact. energy: -2.490 local terms energy: -255.324461 where: bonds (distance) C4'-P energy: -59.173 bonds (distance) P-C4' energy: -64.562 flat angles C4'-P-C4' energy: -57.233 flat angles P-C4'-P energy: -40.637 tors. eta vs tors. theta energy: -33.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -564.281321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.281321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.281321 (E_RNA) where: Base-Base interactions energy: -338.954 where: short stacking energy: -166.323 Base-Backbone interact. energy: -0.412 local terms energy: -224.915139 where: bonds (distance) C4'-P energy: -58.266 bonds (distance) P-C4' energy: -52.170 flat angles C4'-P-C4' energy: -55.486 flat angles P-C4'-P energy: -30.631 tors. eta vs tors. theta energy: -28.362 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: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -515.201525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.201525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.201525 (E_RNA) where: Base-Base interactions energy: -295.641 where: short stacking energy: -151.156 Base-Backbone interact. energy: -2.218 local terms energy: -217.342759 where: bonds (distance) C4'-P energy: -44.583 bonds (distance) P-C4' energy: -58.580 flat angles C4'-P-C4' energy: -49.461 flat angles P-C4'-P energy: -32.859 tors. eta vs tors. theta energy: -31.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -442.238663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.238663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.238663 (E_RNA) where: Base-Base interactions energy: -238.874 where: short stacking energy: -139.642 Base-Backbone interact. energy: 0.402 local terms energy: -203.766228 where: bonds (distance) C4'-P energy: -44.935 bonds (distance) P-C4' energy: -51.671 flat angles C4'-P-C4' energy: -51.450 flat angles P-C4'-P energy: -31.888 tors. eta vs tors. theta energy: -23.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -256.608920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.608920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.608920 (E_RNA) where: Base-Base interactions energy: -86.303 where: short stacking energy: -59.839 Base-Backbone interact. energy: 0.603 local terms energy: -170.908975 where: bonds (distance) C4'-P energy: -54.259 bonds (distance) P-C4' energy: -56.351 flat angles C4'-P-C4' energy: -28.988 flat angles P-C4'-P energy: -32.597 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: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1093.770648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.770648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.770648 (E_RNA) where: Base-Base interactions energy: -750.952 where: short stacking energy: -311.333 Base-Backbone interact. energy: -1.175 local terms energy: -341.643583 where: bonds (distance) C4'-P energy: -64.406 bonds (distance) P-C4' energy: -53.301 flat angles C4'-P-C4' energy: -69.602 flat angles P-C4'-P energy: -50.238 tors. eta vs tors. theta energy: -104.097 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: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1017.363661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.363661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.363661 (E_RNA) where: Base-Base interactions energy: -690.877 where: short stacking energy: -290.018 Base-Backbone interact. energy: -1.234 local terms energy: -325.252748 where: bonds (distance) C4'-P energy: -65.900 bonds (distance) P-C4' energy: -65.525 flat angles C4'-P-C4' energy: -62.733 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -85.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -993.534771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.534771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.534771 (E_RNA) where: Base-Base interactions energy: -675.068 where: short stacking energy: -258.292 Base-Backbone interact. energy: -1.640 local terms energy: -316.826048 where: bonds (distance) C4'-P energy: -59.986 bonds (distance) P-C4' energy: -62.337 flat angles C4'-P-C4' energy: -65.604 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -79.293 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: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -904.507613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.507613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.507613 (E_RNA) where: Base-Base interactions energy: -613.157 where: short stacking energy: -255.979 Base-Backbone interact. energy: 0.672 local terms energy: -292.022605 where: bonds (distance) C4'-P energy: -57.442 bonds (distance) P-C4' energy: -58.730 flat angles C4'-P-C4' energy: -60.584 flat angles P-C4'-P energy: -41.075 tors. eta vs tors. theta energy: -74.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -749.932121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.932121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.932121 (E_RNA) where: Base-Base interactions energy: -469.062 where: short stacking energy: -214.813 Base-Backbone interact. energy: -0.494 local terms energy: -280.375396 where: bonds (distance) C4'-P energy: -59.957 bonds (distance) P-C4' energy: -72.474 flat angles C4'-P-C4' energy: -56.686 flat angles P-C4'-P energy: -35.085 tors. eta vs tors. theta energy: -56.173 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: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -689.951384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.951384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.951384 (E_RNA) where: Base-Base interactions energy: -450.136 where: short stacking energy: -189.290 Base-Backbone interact. energy: 0.924 local terms energy: -240.739282 where: bonds (distance) C4'-P energy: -39.538 bonds (distance) P-C4' energy: -59.270 flat angles C4'-P-C4' energy: -69.453 flat angles P-C4'-P energy: -26.060 tors. eta vs tors. theta energy: -46.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -501.334234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.334234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.334234 (E_RNA) where: Base-Base interactions energy: -274.249 where: short stacking energy: -135.548 Base-Backbone interact. energy: -0.627 local terms energy: -226.457930 where: bonds (distance) C4'-P energy: -47.461 bonds (distance) P-C4' energy: -57.314 flat angles C4'-P-C4' energy: -52.559 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: -25.976 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: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -490.286105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.286105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.286105 (E_RNA) where: Base-Base interactions energy: -297.073 where: short stacking energy: -131.805 Base-Backbone interact. energy: 3.630 local terms energy: -196.842423 where: bonds (distance) C4'-P energy: -40.863 bonds (distance) P-C4' energy: -52.888 flat angles C4'-P-C4' energy: -41.071 flat angles P-C4'-P energy: -33.547 tors. eta vs tors. theta energy: -28.473 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: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -438.102814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.102814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.102814 (E_RNA) where: Base-Base interactions energy: -239.431 where: short stacking energy: -120.242 Base-Backbone interact. energy: -1.371 local terms energy: -197.300624 where: bonds (distance) C4'-P energy: -44.908 bonds (distance) P-C4' energy: -60.219 flat angles C4'-P-C4' energy: -44.875 flat angles P-C4'-P energy: -30.169 tors. eta vs tors. theta energy: -17.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -258.342278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.342278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.342278 (E_RNA) where: Base-Base interactions energy: -126.693 where: short stacking energy: -70.285 Base-Backbone interact. energy: 0.686 local terms energy: -132.335681 where: bonds (distance) C4'-P energy: -48.728 bonds (distance) P-C4' energy: -60.341 flat angles C4'-P-C4' energy: -36.135 flat angles P-C4'-P energy: -14.297 tors. eta vs tors. theta energy: 27.164 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: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1089.561296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.561296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.561296 (E_RNA) where: Base-Base interactions energy: -740.148 where: short stacking energy: -300.771 Base-Backbone interact. energy: -2.127 local terms energy: -347.286970 where: bonds (distance) C4'-P energy: -63.514 bonds (distance) P-C4' energy: -67.703 flat angles C4'-P-C4' energy: -73.553 flat angles P-C4'-P energy: -39.027 tors. eta vs tors. theta energy: -103.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1015.281612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.281612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.281612 (E_RNA) where: Base-Base interactions energy: -683.675 where: short stacking energy: -298.412 Base-Backbone interact. energy: -1.204 local terms energy: -330.402959 where: bonds (distance) C4'-P energy: -57.750 bonds (distance) P-C4' energy: -61.111 flat angles C4'-P-C4' energy: -72.247 flat angles P-C4'-P energy: -43.862 tors. eta vs tors. theta energy: -95.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -993.312028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.312028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.312028 (E_RNA) where: Base-Base interactions energy: -674.052 where: short stacking energy: -277.822 Base-Backbone interact. energy: -0.274 local terms energy: -318.985407 where: bonds (distance) C4'-P energy: -65.140 bonds (distance) P-C4' energy: -56.745 flat angles C4'-P-C4' energy: -64.005 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -83.623 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: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -929.035940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.035940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.035940 (E_RNA) where: Base-Base interactions energy: -613.058 where: short stacking energy: -276.784 Base-Backbone interact. energy: -1.260 local terms energy: -314.717230 where: bonds (distance) C4'-P energy: -61.857 bonds (distance) P-C4' energy: -52.174 flat angles C4'-P-C4' energy: -75.073 flat angles P-C4'-P energy: -43.097 tors. eta vs tors. theta energy: -82.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -749.518584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.518584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.518584 (E_RNA) where: Base-Base interactions energy: -471.482 where: short stacking energy: -223.447 Base-Backbone interact. energy: 0.788 local terms energy: -278.825125 where: bonds (distance) C4'-P energy: -58.037 bonds (distance) P-C4' energy: -57.192 flat angles C4'-P-C4' energy: -66.391 flat angles P-C4'-P energy: -38.010 tors. eta vs tors. theta energy: -59.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -679.669371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.669371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.669371 (E_RNA) where: Base-Base interactions energy: -421.710 where: short stacking energy: -195.192 Base-Backbone interact. energy: -1.205 local terms energy: -256.753903 where: bonds (distance) C4'-P energy: -39.490 bonds (distance) P-C4' energy: -65.786 flat angles C4'-P-C4' energy: -58.579 flat angles P-C4'-P energy: -49.482 tors. eta vs tors. theta energy: -43.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -505.024642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.024642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.024642 (E_RNA) where: Base-Base interactions energy: -255.873 where: short stacking energy: -131.627 Base-Backbone interact. energy: -1.120 local terms energy: -248.031626 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -60.953 flat angles P-C4'-P energy: -41.845 tors. eta vs tors. theta energy: -21.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -507.693920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.693920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.693920 (E_RNA) where: Base-Base interactions energy: -277.090 where: short stacking energy: -149.340 Base-Backbone interact. energy: 1.022 local terms energy: -231.626502 where: bonds (distance) C4'-P energy: -52.649 bonds (distance) P-C4' energy: -65.675 flat angles C4'-P-C4' energy: -60.266 flat angles P-C4'-P energy: -27.639 tors. eta vs tors. theta energy: -25.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -471.528002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.528002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.528002 (E_RNA) where: Base-Base interactions energy: -260.920 where: short stacking energy: -128.956 Base-Backbone interact. energy: 4.053 local terms energy: -214.661063 where: bonds (distance) C4'-P energy: -49.756 bonds (distance) P-C4' energy: -54.600 flat angles C4'-P-C4' energy: -51.228 flat angles P-C4'-P energy: -38.209 tors. eta vs tors. theta energy: -20.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -276.744345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.744345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.744345 (E_RNA) where: Base-Base interactions energy: -95.418 where: short stacking energy: -87.970 Base-Backbone interact. energy: -0.335 local terms energy: -180.990770 where: bonds (distance) C4'-P energy: -50.793 bonds (distance) P-C4' energy: -54.502 flat angles C4'-P-C4' energy: -47.023 flat angles P-C4'-P energy: -26.018 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1081.180436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.180436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.180436 (E_RNA) where: Base-Base interactions energy: -731.667 where: short stacking energy: -315.555 Base-Backbone interact. energy: -3.573 local terms energy: -345.940684 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -65.891 flat angles C4'-P-C4' energy: -75.059 flat angles P-C4'-P energy: -47.263 tors. eta vs tors. theta energy: -102.331 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: 2, replica: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1046.253963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.253963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.253963 (E_RNA) where: Base-Base interactions energy: -694.626 where: short stacking energy: -303.873 Base-Backbone interact. energy: -0.786 local terms energy: -350.842321 where: bonds (distance) C4'-P energy: -57.720 bonds (distance) P-C4' energy: -67.161 flat angles C4'-P-C4' energy: -74.566 flat angles P-C4'-P energy: -55.667 tors. eta vs tors. theta energy: -95.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -994.096530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.096530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.096530 (E_RNA) where: Base-Base interactions energy: -681.907 where: short stacking energy: -284.168 Base-Backbone interact. energy: -1.302 local terms energy: -310.888195 where: bonds (distance) C4'-P energy: -60.680 bonds (distance) P-C4' energy: -54.707 flat angles C4'-P-C4' energy: -66.546 flat angles P-C4'-P energy: -41.996 tors. eta vs tors. theta energy: -86.958 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: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -886.148302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.148302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.148302 (E_RNA) where: Base-Base interactions energy: -567.453 where: short stacking energy: -265.926 Base-Backbone interact. energy: 0.079 local terms energy: -318.774539 where: bonds (distance) C4'-P energy: -69.010 bonds (distance) P-C4' energy: -60.471 flat angles C4'-P-C4' energy: -66.134 flat angles P-C4'-P energy: -47.594 tors. eta vs tors. theta energy: -75.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -751.712521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.712521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.712521 (E_RNA) where: Base-Base interactions energy: -480.659 where: short stacking energy: -228.453 Base-Backbone interact. energy: -2.060 local terms energy: -268.993536 where: bonds (distance) C4'-P energy: -60.609 bonds (distance) P-C4' energy: -63.975 flat angles C4'-P-C4' energy: -49.453 flat angles P-C4'-P energy: -35.535 tors. eta vs tors. theta energy: -59.422 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: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -671.333621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.333621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.333621 (E_RNA) where: Base-Base interactions energy: -399.171 where: short stacking energy: -187.606 Base-Backbone interact. energy: -2.513 local terms energy: -269.649098 where: bonds (distance) C4'-P energy: -56.735 bonds (distance) P-C4' energy: -58.244 flat angles C4'-P-C4' energy: -62.728 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -51.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -541.632416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.632416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.632416 (E_RNA) where: Base-Base interactions energy: -304.206 where: short stacking energy: -150.286 Base-Backbone interact. energy: -0.179 local terms energy: -237.247934 where: bonds (distance) C4'-P energy: -49.309 bonds (distance) P-C4' energy: -61.242 flat angles C4'-P-C4' energy: -52.304 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -33.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -491.120250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.120250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.120250 (E_RNA) where: Base-Base interactions energy: -258.596 where: short stacking energy: -131.679 Base-Backbone interact. energy: -0.713 local terms energy: -231.811347 where: bonds (distance) C4'-P energy: -50.106 bonds (distance) P-C4' energy: -66.917 flat angles C4'-P-C4' energy: -43.796 flat angles P-C4'-P energy: -40.003 tors. eta vs tors. theta energy: -30.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -470.304530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.304530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.304530 (E_RNA) where: Base-Base interactions energy: -279.796 where: short stacking energy: -134.141 Base-Backbone interact. energy: 3.662 local terms energy: -194.170895 where: bonds (distance) C4'-P energy: -49.404 bonds (distance) P-C4' energy: -49.228 flat angles C4'-P-C4' energy: -47.094 flat angles P-C4'-P energy: -33.144 tors. eta vs tors. theta energy: -15.301 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: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -266.642508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.642508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.642508 (E_RNA) where: Base-Base interactions energy: -105.177 where: short stacking energy: -78.776 Base-Backbone interact. energy: -0.440 local terms energy: -161.025455 where: bonds (distance) C4'-P energy: -44.010 bonds (distance) P-C4' energy: -34.229 flat angles C4'-P-C4' energy: -48.326 flat angles P-C4'-P energy: -33.326 tors. eta vs tors. theta energy: -1.134 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: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1073.736736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.736736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.736736 (E_RNA) where: Base-Base interactions energy: -737.290 where: short stacking energy: -301.798 Base-Backbone interact. energy: -2.365 local terms energy: -334.082400 where: bonds (distance) C4'-P energy: -60.141 bonds (distance) P-C4' energy: -57.974 flat angles C4'-P-C4' energy: -73.811 flat angles P-C4'-P energy: -45.506 tors. eta vs tors. theta energy: -96.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1032.654538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.654538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.654538 (E_RNA) where: Base-Base interactions energy: -702.654 where: short stacking energy: -311.531 Base-Backbone interact. energy: -1.267 local terms energy: -328.733002 where: bonds (distance) C4'-P energy: -57.792 bonds (distance) P-C4' energy: -58.237 flat angles C4'-P-C4' energy: -67.094 flat angles P-C4'-P energy: -48.250 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: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1005.423465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.423465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.423465 (E_RNA) where: Base-Base interactions energy: -688.252 where: short stacking energy: -281.877 Base-Backbone interact. energy: -1.185 local terms energy: -315.986713 where: bonds (distance) C4'-P energy: -54.668 bonds (distance) P-C4' energy: -64.799 flat angles C4'-P-C4' energy: -66.458 flat angles P-C4'-P energy: -39.403 tors. eta vs tors. theta energy: -90.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -895.248992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.248992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.248992 (E_RNA) where: Base-Base interactions energy: -588.140 where: short stacking energy: -275.381 Base-Backbone interact. energy: -0.979 local terms energy: -306.130004 where: bonds (distance) C4'-P energy: -54.956 bonds (distance) P-C4' energy: -52.247 flat angles C4'-P-C4' energy: -64.311 flat angles P-C4'-P energy: -47.672 tors. eta vs tors. theta energy: -86.943 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: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -773.407991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.407991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.407991 (E_RNA) where: Base-Base interactions energy: -496.462 where: short stacking energy: -237.935 Base-Backbone interact. energy: -1.166 local terms energy: -275.779597 where: bonds (distance) C4'-P energy: -57.518 bonds (distance) P-C4' energy: -53.032 flat angles C4'-P-C4' energy: -59.879 flat angles P-C4'-P energy: -37.938 tors. eta vs tors. theta energy: -67.413 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: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -699.083016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.083016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.083016 (E_RNA) where: Base-Base interactions energy: -436.842 where: short stacking energy: -202.666 Base-Backbone interact. energy: -1.121 local terms energy: -261.120077 where: bonds (distance) C4'-P energy: -59.079 bonds (distance) P-C4' energy: -60.058 flat angles C4'-P-C4' energy: -57.503 flat angles P-C4'-P energy: -33.303 tors. eta vs tors. theta energy: -51.178 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: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -530.358609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.358609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.358609 (E_RNA) where: Base-Base interactions energy: -307.018 where: short stacking energy: -177.861 Base-Backbone interact. energy: -1.771 local terms energy: -221.569613 where: bonds (distance) C4'-P energy: -54.671 bonds (distance) P-C4' energy: -51.657 flat angles C4'-P-C4' energy: -43.860 flat angles P-C4'-P energy: -35.960 tors. eta vs tors. theta energy: -35.422 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: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -479.658566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.658566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.658566 (E_RNA) where: Base-Base interactions energy: -260.835 where: short stacking energy: -122.358 Base-Backbone interact. energy: -0.846 local terms energy: -217.977491 where: bonds (distance) C4'-P energy: -50.855 bonds (distance) P-C4' energy: -53.264 flat angles C4'-P-C4' energy: -59.067 flat angles P-C4'-P energy: -34.293 tors. eta vs tors. theta energy: -20.499 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: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -439.863092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.863092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.863092 (E_RNA) where: Base-Base interactions energy: -241.143 where: short stacking energy: -121.466 Base-Backbone interact. energy: 1.415 local terms energy: -200.135619 where: bonds (distance) C4'-P energy: -39.063 bonds (distance) P-C4' energy: -55.940 flat angles C4'-P-C4' energy: -56.926 flat angles P-C4'-P energy: -35.440 tors. eta vs tors. theta energy: -12.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -248.573070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.573070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.573070 (E_RNA) where: Base-Base interactions energy: -92.077 where: short stacking energy: -80.427 Base-Backbone interact. energy: 0.868 local terms energy: -157.363198 where: bonds (distance) C4'-P energy: -36.671 bonds (distance) P-C4' energy: -54.442 flat angles C4'-P-C4' energy: -53.218 flat angles P-C4'-P energy: -20.461 tors. eta vs tors. theta energy: 7.429 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: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1072.044085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.044085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.044085 (E_RNA) where: Base-Base interactions energy: -708.537 where: short stacking energy: -305.320 Base-Backbone interact. energy: -0.947 local terms energy: -362.560846 where: bonds (distance) C4'-P energy: -67.203 bonds (distance) P-C4' energy: -70.482 flat angles C4'-P-C4' energy: -66.304 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -99.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1030.091676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.091676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.091676 (E_RNA) where: Base-Base interactions energy: -677.286 where: short stacking energy: -303.644 Base-Backbone interact. energy: -0.158 local terms energy: -352.647140 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -64.692 flat angles C4'-P-C4' energy: -75.659 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -98.791 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: 305 Temperature: 1.000000 Total energy: -988.286863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.286863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.286863 (E_RNA) where: Base-Base interactions energy: -667.728 where: short stacking energy: -269.540 Base-Backbone interact. energy: -0.757 local terms energy: -319.802518 where: bonds (distance) C4'-P energy: -58.956 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -68.277 flat angles P-C4'-P energy: -44.229 tors. eta vs tors. theta energy: -88.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -930.653281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.653281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.653281 (E_RNA) where: Base-Base interactions energy: -616.072 where: short stacking energy: -257.416 Base-Backbone interact. energy: 0.141 local terms energy: -314.722286 where: bonds (distance) C4'-P energy: -54.796 bonds (distance) P-C4' energy: -59.343 flat angles C4'-P-C4' energy: -68.373 flat angles P-C4'-P energy: -49.872 tors. eta vs tors. theta energy: -82.339 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: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -791.978384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.978384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.978384 (E_RNA) where: Base-Base interactions energy: -498.019 where: short stacking energy: -261.701 Base-Backbone interact. energy: 1.264 local terms energy: -295.223713 where: bonds (distance) C4'-P energy: -54.821 bonds (distance) P-C4' energy: -57.696 flat angles C4'-P-C4' energy: -56.618 flat angles P-C4'-P energy: -42.386 tors. eta vs tors. theta energy: -83.703 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: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -744.525938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.525938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.525938 (E_RNA) where: Base-Base interactions energy: -468.824 where: short stacking energy: -208.571 Base-Backbone interact. energy: -0.924 local terms energy: -274.778030 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -62.835 flat angles C4'-P-C4' energy: -52.226 flat angles P-C4'-P energy: -42.016 tors. eta vs tors. theta energy: -53.276 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: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -519.797914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.797914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.797914 (E_RNA) where: Base-Base interactions energy: -286.183 where: short stacking energy: -134.406 Base-Backbone interact. energy: -3.292 local terms energy: -230.323383 where: bonds (distance) C4'-P energy: -53.336 bonds (distance) P-C4' energy: -66.164 flat angles C4'-P-C4' energy: -57.194 flat angles P-C4'-P energy: -27.713 tors. eta vs tors. theta energy: -25.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -453.755711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.755711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.755711 (E_RNA) where: Base-Base interactions energy: -242.679 where: short stacking energy: -135.098 Base-Backbone interact. energy: -1.152 local terms energy: -209.925045 where: bonds (distance) C4'-P energy: -57.628 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -49.983 flat angles P-C4'-P energy: -28.359 tors. eta vs tors. theta energy: -14.187 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: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -449.378789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.378789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.378789 (E_RNA) where: Base-Base interactions energy: -242.249 where: short stacking energy: -108.465 Base-Backbone interact. energy: -2.322 local terms energy: -204.807322 where: bonds (distance) C4'-P energy: -44.808 bonds (distance) P-C4' energy: -66.272 flat angles C4'-P-C4' energy: -47.912 flat angles P-C4'-P energy: -36.716 tors. eta vs tors. theta energy: -9.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -250.709652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.709652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.709652 (E_RNA) where: Base-Base interactions energy: -59.706 where: short stacking energy: -50.825 Base-Backbone interact. energy: -0.393 local terms energy: -190.610901 where: bonds (distance) C4'-P energy: -55.933 bonds (distance) P-C4' energy: -66.360 flat angles C4'-P-C4' energy: -57.589 flat angles P-C4'-P energy: -31.919 tors. eta vs tors. theta energy: 21.190 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: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1043.134163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.134163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.134163 (E_RNA) where: Base-Base interactions energy: -705.830 where: short stacking energy: -309.476 Base-Backbone interact. energy: 2.016 local terms energy: -339.320188 where: bonds (distance) C4'-P energy: -65.292 bonds (distance) P-C4' energy: -58.156 flat angles C4'-P-C4' energy: -69.684 flat angles P-C4'-P energy: -52.459 tors. eta vs tors. theta energy: -93.729 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: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1061.872387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.872387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.872387 (E_RNA) where: Base-Base interactions energy: -729.513 where: short stacking energy: -315.945 Base-Backbone interact. energy: -0.309 local terms energy: -332.049625 where: bonds (distance) C4'-P energy: -62.316 bonds (distance) P-C4' energy: -68.768 flat angles C4'-P-C4' energy: -64.144 flat angles P-C4'-P energy: -32.970 tors. eta vs tors. theta energy: -103.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -976.826484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.826484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.826484 (E_RNA) where: Base-Base interactions energy: -665.994 where: short stacking energy: -271.969 Base-Backbone interact. energy: -0.845 local terms energy: -309.987037 where: bonds (distance) C4'-P energy: -67.468 bonds (distance) P-C4' energy: -59.578 flat angles C4'-P-C4' energy: -59.854 flat angles P-C4'-P energy: -45.904 tors. eta vs tors. theta energy: -77.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -941.912625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.912625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.912625 (E_RNA) where: Base-Base interactions energy: -618.780 where: short stacking energy: -279.517 Base-Backbone interact. energy: -1.388 local terms energy: -321.743806 where: bonds (distance) C4'-P energy: -55.824 bonds (distance) P-C4' energy: -61.122 flat angles C4'-P-C4' energy: -71.915 flat angles P-C4'-P energy: -49.144 tors. eta vs tors. theta energy: -83.739 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: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -755.660826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.660826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.660826 (E_RNA) where: Base-Base interactions energy: -503.202 where: short stacking energy: -253.569 Base-Backbone interact. energy: -0.857 local terms energy: -251.601547 where: bonds (distance) C4'-P energy: -32.215 bonds (distance) P-C4' energy: -53.016 flat angles C4'-P-C4' energy: -57.454 flat angles P-C4'-P energy: -37.210 tors. eta vs tors. theta energy: -71.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -705.025956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.025956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.025956 (E_RNA) where: Base-Base interactions energy: -451.715 where: short stacking energy: -193.526 Base-Backbone interact. energy: -0.136 local terms energy: -253.174579 where: bonds (distance) C4'-P energy: -43.429 bonds (distance) P-C4' energy: -63.591 flat angles C4'-P-C4' energy: -61.737 flat angles P-C4'-P energy: -37.513 tors. eta vs tors. theta energy: -46.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -534.380254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.380254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.380254 (E_RNA) where: Base-Base interactions energy: -318.912 where: short stacking energy: -173.323 Base-Backbone interact. energy: -0.753 local terms energy: -214.714739 where: bonds (distance) C4'-P energy: -49.383 bonds (distance) P-C4' energy: -55.530 flat angles C4'-P-C4' energy: -53.328 flat angles P-C4'-P energy: -23.736 tors. eta vs tors. theta energy: -32.738 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: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -516.808088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.808088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.808088 (E_RNA) where: Base-Base interactions energy: -287.066 where: short stacking energy: -145.258 Base-Backbone interact. energy: -1.160 local terms energy: -228.582669 where: bonds (distance) C4'-P energy: -59.724 bonds (distance) P-C4' energy: -46.487 flat angles C4'-P-C4' energy: -53.433 flat angles P-C4'-P energy: -42.270 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: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -454.182285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.182285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.182285 (E_RNA) where: Base-Base interactions energy: -245.745 where: short stacking energy: -121.760 Base-Backbone interact. energy: -0.519 local terms energy: -207.918144 where: bonds (distance) C4'-P energy: -48.769 bonds (distance) P-C4' energy: -56.466 flat angles C4'-P-C4' energy: -42.785 flat angles P-C4'-P energy: -48.394 tors. eta vs tors. theta energy: -11.505 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: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -287.797868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.797868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.797868 (E_RNA) where: Base-Base interactions energy: -126.824 where: short stacking energy: -86.274 Base-Backbone interact. energy: -1.055 local terms energy: -159.919141 where: bonds (distance) C4'-P energy: -41.984 bonds (distance) P-C4' energy: -48.435 flat angles C4'-P-C4' energy: -38.298 flat angles P-C4'-P energy: -30.429 tors. eta vs tors. theta energy: -0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1065.942200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.942200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.942200 (E_RNA) where: Base-Base interactions energy: -707.595 where: short stacking energy: -307.580 Base-Backbone interact. energy: 0.093 local terms energy: -358.440035 where: bonds (distance) C4'-P energy: -70.158 bonds (distance) P-C4' energy: -69.711 flat angles C4'-P-C4' energy: -69.193 flat angles P-C4'-P energy: -49.792 tors. eta vs tors. theta energy: -99.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1056.061393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.061393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.061393 (E_RNA) where: Base-Base interactions energy: -720.589 where: short stacking energy: -311.095 Base-Backbone interact. energy: -2.006 local terms energy: -333.466038 where: bonds (distance) C4'-P energy: -67.708 bonds (distance) P-C4' energy: -61.758 flat angles C4'-P-C4' energy: -63.932 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: -97.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -981.539164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.539164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.539164 (E_RNA) where: Base-Base interactions energy: -688.437 where: short stacking energy: -272.954 Base-Backbone interact. energy: -0.641 local terms energy: -292.462004 where: bonds (distance) C4'-P energy: -55.588 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -66.328 flat angles P-C4'-P energy: -29.041 tors. eta vs tors. theta energy: -80.928 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: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -926.668015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.668015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.668015 (E_RNA) where: Base-Base interactions energy: -635.144 where: short stacking energy: -283.462 Base-Backbone interact. energy: 0.703 local terms energy: -292.227162 where: bonds (distance) C4'-P energy: -58.796 bonds (distance) P-C4' energy: -50.074 flat angles C4'-P-C4' energy: -65.256 flat angles P-C4'-P energy: -34.421 tors. eta vs tors. theta energy: -83.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -718.060203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.060203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.060203 (E_RNA) where: Base-Base interactions energy: -435.410 where: short stacking energy: -216.379 Base-Backbone interact. energy: -0.786 local terms energy: -281.864312 where: bonds (distance) C4'-P energy: -57.233 bonds (distance) P-C4' energy: -57.573 flat angles C4'-P-C4' energy: -59.161 flat angles P-C4'-P energy: -47.867 tors. eta vs tors. theta energy: -60.031 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: 307 Temperature: 1.150000 Total energy: -709.925983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.925983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.925983 (E_RNA) where: Base-Base interactions energy: -461.304 where: short stacking energy: -216.849 Base-Backbone interact. energy: -1.832 local terms energy: -246.789831 where: bonds (distance) C4'-P energy: -52.274 bonds (distance) P-C4' energy: -51.899 flat angles C4'-P-C4' energy: -55.088 flat angles P-C4'-P energy: -25.359 tors. eta vs tors. theta energy: -62.170 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: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -497.837471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.837471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.837471 (E_RNA) where: Base-Base interactions energy: -292.549 where: short stacking energy: -156.509 Base-Backbone interact. energy: -2.352 local terms energy: -202.936466 where: bonds (distance) C4'-P energy: -39.893 bonds (distance) P-C4' energy: -46.049 flat angles C4'-P-C4' energy: -52.025 flat angles P-C4'-P energy: -42.072 tors. eta vs tors. theta energy: -22.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -470.546032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.546032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.546032 (E_RNA) where: Base-Base interactions energy: -267.767 where: short stacking energy: -137.571 Base-Backbone interact. energy: -1.786 local terms energy: -200.993716 where: bonds (distance) C4'-P energy: -52.402 bonds (distance) P-C4' energy: -62.771 flat angles C4'-P-C4' energy: -51.836 flat angles P-C4'-P energy: -30.759 tors. eta vs tors. theta energy: -3.226 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: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -459.440760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.440760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.440760 (E_RNA) where: Base-Base interactions energy: -250.809 where: short stacking energy: -120.141 Base-Backbone interact. energy: 0.459 local terms energy: -209.090928 where: bonds (distance) C4'-P energy: -50.836 bonds (distance) P-C4' energy: -62.966 flat angles C4'-P-C4' energy: -48.412 flat angles P-C4'-P energy: -33.233 tors. eta vs tors. theta energy: -13.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -253.663752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.663752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.663752 (E_RNA) where: Base-Base interactions energy: -83.886 where: short stacking energy: -43.226 Base-Backbone interact. energy: -2.984 local terms energy: -166.793913 where: bonds (distance) C4'-P energy: -47.570 bonds (distance) P-C4' energy: -62.045 flat angles C4'-P-C4' energy: -45.849 flat angles P-C4'-P energy: -32.494 tors. eta vs tors. theta energy: 21.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1056.751691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.751691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.751691 (E_RNA) where: Base-Base interactions energy: -726.978 where: short stacking energy: -323.944 Base-Backbone interact. energy: -2.240 local terms energy: -327.532938 where: bonds (distance) C4'-P energy: -53.817 bonds (distance) P-C4' energy: -60.923 flat angles C4'-P-C4' energy: -64.254 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -102.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1080.174023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.174023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.174023 (E_RNA) where: Base-Base interactions energy: -724.870 where: short stacking energy: -300.524 Base-Backbone interact. energy: -1.156 local terms energy: -354.147995 where: bonds (distance) C4'-P energy: -67.196 bonds (distance) P-C4' energy: -62.650 flat angles C4'-P-C4' energy: -73.981 flat angles P-C4'-P energy: -51.483 tors. eta vs tors. theta energy: -98.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -993.949941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.949941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.949941 (E_RNA) where: Base-Base interactions energy: -681.195 where: short stacking energy: -266.062 Base-Backbone interact. energy: 0.123 local terms energy: -312.877272 where: bonds (distance) C4'-P energy: -60.049 bonds (distance) P-C4' energy: -60.191 flat angles C4'-P-C4' energy: -67.107 flat angles P-C4'-P energy: -45.150 tors. eta vs tors. theta energy: -80.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -889.021795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.021795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.021795 (E_RNA) where: Base-Base interactions energy: -591.807 where: short stacking energy: -255.648 Base-Backbone interact. energy: -1.412 local terms energy: -295.802283 where: bonds (distance) C4'-P energy: -45.810 bonds (distance) P-C4' energy: -58.571 flat angles C4'-P-C4' energy: -75.026 flat angles P-C4'-P energy: -41.379 tors. eta vs tors. theta energy: -75.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -756.667435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.667435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.667435 (E_RNA) where: Base-Base interactions energy: -483.457 where: short stacking energy: -206.754 Base-Backbone interact. energy: 1.290 local terms energy: -274.500094 where: bonds (distance) C4'-P energy: -70.618 bonds (distance) P-C4' energy: -40.861 flat angles C4'-P-C4' energy: -68.856 flat angles P-C4'-P energy: -44.299 tors. eta vs tors. theta energy: -49.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -715.229896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.229896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.229896 (E_RNA) where: Base-Base interactions energy: -439.968 where: short stacking energy: -223.115 Base-Backbone interact. energy: -0.400 local terms energy: -274.862117 where: bonds (distance) C4'-P energy: -53.260 bonds (distance) P-C4' energy: -59.923 flat angles C4'-P-C4' energy: -57.492 flat angles P-C4'-P energy: -36.357 tors. eta vs tors. theta energy: -67.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -541.368681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.368681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.368681 (E_RNA) where: Base-Base interactions energy: -302.131 where: short stacking energy: -141.511 Base-Backbone interact. energy: -1.658 local terms energy: -237.579202 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -61.523 flat angles C4'-P-C4' energy: -56.265 flat angles P-C4'-P energy: -34.653 tors. eta vs tors. theta energy: -28.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -473.829295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.829295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.829295 (E_RNA) where: Base-Base interactions energy: -249.200 where: short stacking energy: -117.265 Base-Backbone interact. energy: -0.666 local terms energy: -223.963144 where: bonds (distance) C4'-P energy: -56.184 bonds (distance) P-C4' energy: -64.500 flat angles C4'-P-C4' energy: -53.109 flat angles P-C4'-P energy: -36.000 tors. eta vs tors. theta energy: -14.170 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: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -470.787946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.787946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.787946 (E_RNA) where: Base-Base interactions energy: -257.358 where: short stacking energy: -133.674 Base-Backbone interact. energy: -1.133 local terms energy: -212.297032 where: bonds (distance) C4'-P energy: -44.418 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -54.707 flat angles P-C4'-P energy: -31.153 tors. eta vs tors. theta energy: -21.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -244.634461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.634461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.634461 (E_RNA) where: Base-Base interactions energy: -70.867 where: short stacking energy: -55.807 Base-Backbone interact. energy: 0.685 local terms energy: -174.452906 where: bonds (distance) C4'-P energy: -51.616 bonds (distance) P-C4' energy: -51.934 flat angles C4'-P-C4' energy: -54.075 flat angles P-C4'-P energy: -23.984 tors. eta vs tors. theta energy: 7.156 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: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1067.121966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.121966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.121966 (E_RNA) where: Base-Base interactions energy: -727.723 where: short stacking energy: -311.137 Base-Backbone interact. energy: -1.853 local terms energy: -337.545651 where: bonds (distance) C4'-P energy: -53.677 bonds (distance) P-C4' energy: -63.026 flat angles C4'-P-C4' energy: -70.460 flat angles P-C4'-P energy: -54.732 tors. eta vs tors. theta energy: -95.651 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: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1063.449643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.449643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.449643 (E_RNA) where: Base-Base interactions energy: -712.635 where: short stacking energy: -306.072 Base-Backbone interact. energy: -1.211 local terms energy: -349.603643 where: bonds (distance) C4'-P energy: -72.302 bonds (distance) P-C4' energy: -60.027 flat angles C4'-P-C4' energy: -68.245 flat angles P-C4'-P energy: -51.272 tors. eta vs tors. theta energy: -97.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -998.239534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.239534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.239534 (E_RNA) where: Base-Base interactions energy: -684.386 where: short stacking energy: -270.542 Base-Backbone interact. energy: -0.538 local terms energy: -313.315814 where: bonds (distance) C4'-P energy: -62.201 bonds (distance) P-C4' energy: -62.626 flat angles C4'-P-C4' energy: -62.211 flat angles P-C4'-P energy: -44.530 tors. eta vs tors. theta energy: -81.748 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: 7 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -885.834046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.834046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.834046 (E_RNA) where: Base-Base interactions energy: -587.899 where: short stacking energy: -254.399 Base-Backbone interact. energy: -0.621 local terms energy: -297.314223 where: bonds (distance) C4'-P energy: -62.024 bonds (distance) P-C4' energy: -58.600 flat angles C4'-P-C4' energy: -57.875 flat angles P-C4'-P energy: -43.339 tors. eta vs tors. theta energy: -75.476 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: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -778.925041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.925041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.925041 (E_RNA) where: Base-Base interactions energy: -504.356 where: short stacking energy: -225.165 Base-Backbone interact. energy: -1.222 local terms energy: -273.346907 where: bonds (distance) C4'-P energy: -55.807 bonds (distance) P-C4' energy: -61.101 flat angles C4'-P-C4' energy: -50.276 flat angles P-C4'-P energy: -40.651 tors. eta vs tors. theta energy: -65.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -728.952132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.952132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.952132 (E_RNA) where: Base-Base interactions energy: -475.611 where: short stacking energy: -209.942 Base-Backbone interact. energy: 3.384 local terms energy: -256.725547 where: bonds (distance) C4'-P energy: -58.680 bonds (distance) P-C4' energy: -44.545 flat angles C4'-P-C4' energy: -67.690 flat angles P-C4'-P energy: -39.588 tors. eta vs tors. theta energy: -46.223 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: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -567.017530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.017530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.017530 (E_RNA) where: Base-Base interactions energy: -320.724 where: short stacking energy: -158.348 Base-Backbone interact. energy: -0.976 local terms energy: -245.317260 where: bonds (distance) C4'-P energy: -47.675 bonds (distance) P-C4' energy: -54.742 flat angles C4'-P-C4' energy: -66.747 flat angles P-C4'-P energy: -40.989 tors. eta vs tors. theta energy: -35.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -474.415394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.415394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.415394 (E_RNA) where: Base-Base interactions energy: -273.421 where: short stacking energy: -141.047 Base-Backbone interact. energy: -0.261 local terms energy: -200.732511 where: bonds (distance) C4'-P energy: -40.787 bonds (distance) P-C4' energy: -63.325 flat angles C4'-P-C4' energy: -43.456 flat angles P-C4'-P energy: -28.868 tors. eta vs tors. theta energy: -24.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -462.757429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.757429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.757429 (E_RNA) where: Base-Base interactions energy: -246.647 where: short stacking energy: -121.072 Base-Backbone interact. energy: 0.044 local terms energy: -216.154509 where: bonds (distance) C4'-P energy: -37.476 bonds (distance) P-C4' energy: -74.184 flat angles C4'-P-C4' energy: -57.004 flat angles P-C4'-P energy: -32.646 tors. eta vs tors. theta energy: -14.845 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: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -266.642692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.642692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.642692 (E_RNA) where: Base-Base interactions energy: -92.717 where: short stacking energy: -68.713 Base-Backbone interact. energy: 0.730 local terms energy: -174.655976 where: bonds (distance) C4'-P energy: -50.559 bonds (distance) P-C4' energy: -50.226 flat angles C4'-P-C4' energy: -46.756 flat angles P-C4'-P energy: -24.699 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1078.892483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.892483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.892483 (E_RNA) where: Base-Base interactions energy: -742.733 where: short stacking energy: -324.217 Base-Backbone interact. energy: -0.700 local terms energy: -335.459751 where: bonds (distance) C4'-P energy: -58.242 bonds (distance) P-C4' energy: -69.534 flat angles C4'-P-C4' energy: -63.532 flat angles P-C4'-P energy: -43.891 tors. eta vs tors. theta energy: -100.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1044.508404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.508404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.508404 (E_RNA) where: Base-Base interactions energy: -705.312 where: short stacking energy: -315.284 Base-Backbone interact. energy: 0.119 local terms energy: -339.315204 where: bonds (distance) C4'-P energy: -64.887 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -65.742 flat angles P-C4'-P energy: -55.010 tors. eta vs tors. theta energy: -92.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -934.659920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.659920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.659920 (E_RNA) where: Base-Base interactions energy: -620.091 where: short stacking energy: -256.267 Base-Backbone interact. energy: -2.600 local terms energy: -311.968180 where: bonds (distance) C4'-P energy: -56.053 bonds (distance) P-C4' energy: -61.461 flat angles C4'-P-C4' energy: -74.557 flat angles P-C4'-P energy: -48.037 tors. eta vs tors. theta energy: -71.860 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: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -940.258823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.258823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.258823 (E_RNA) where: Base-Base interactions energy: -624.411 where: short stacking energy: -241.622 Base-Backbone interact. energy: -0.701 local terms energy: -315.146823 where: bonds (distance) C4'-P energy: -56.594 bonds (distance) P-C4' energy: -60.636 flat angles C4'-P-C4' energy: -68.243 flat angles P-C4'-P energy: -51.182 tors. eta vs tors. theta energy: -78.492 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: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -744.826336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.826336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.826336 (E_RNA) where: Base-Base interactions energy: -459.742 where: short stacking energy: -201.170 Base-Backbone interact. energy: -1.324 local terms energy: -283.759527 where: bonds (distance) C4'-P energy: -64.676 bonds (distance) P-C4' energy: -61.367 flat angles C4'-P-C4' energy: -61.336 flat angles P-C4'-P energy: -38.980 tors. eta vs tors. theta energy: -57.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -671.479572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.479572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.479572 (E_RNA) where: Base-Base interactions energy: -424.424 where: short stacking energy: -182.419 Base-Backbone interact. energy: -0.561 local terms energy: -246.494452 where: bonds (distance) C4'-P energy: -50.041 bonds (distance) P-C4' energy: -62.358 flat angles C4'-P-C4' energy: -50.444 flat angles P-C4'-P energy: -41.134 tors. eta vs tors. theta energy: -42.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -538.032569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.032569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.032569 (E_RNA) where: Base-Base interactions energy: -310.725 where: short stacking energy: -158.222 Base-Backbone interact. energy: -0.755 local terms energy: -226.552392 where: bonds (distance) C4'-P energy: -62.732 bonds (distance) P-C4' energy: -55.661 flat angles C4'-P-C4' energy: -47.613 flat angles P-C4'-P energy: -28.109 tors. eta vs tors. theta energy: -32.437 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: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -497.633965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.633965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.633965 (E_RNA) where: Base-Base interactions energy: -265.342 where: short stacking energy: -143.824 Base-Backbone interact. energy: 0.229 local terms energy: -232.520816 where: bonds (distance) C4'-P energy: -49.754 bonds (distance) P-C4' energy: -63.469 flat angles C4'-P-C4' energy: -52.211 flat angles P-C4'-P energy: -42.088 tors. eta vs tors. theta energy: -25.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -434.957161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.957161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.957161 (E_RNA) where: Base-Base interactions energy: -224.097 where: short stacking energy: -106.763 Base-Backbone interact. energy: -2.212 local terms energy: -208.647572 where: bonds (distance) C4'-P energy: -50.764 bonds (distance) P-C4' energy: -65.003 flat angles C4'-P-C4' energy: -38.944 flat angles P-C4'-P energy: -37.772 tors. eta vs tors. theta energy: -16.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -316.863053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.863053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.863053 (E_RNA) where: Base-Base interactions energy: -131.354 where: short stacking energy: -88.018 Base-Backbone interact. energy: 2.878 local terms energy: -188.386631 where: bonds (distance) C4'-P energy: -49.755 bonds (distance) P-C4' energy: -57.777 flat angles C4'-P-C4' energy: -48.470 flat angles P-C4'-P energy: -29.913 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1085.823388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.823388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.823388 (E_RNA) where: Base-Base interactions energy: -745.305 where: short stacking energy: -316.246 Base-Backbone interact. energy: -1.119 local terms energy: -339.399376 where: bonds (distance) C4'-P energy: -61.708 bonds (distance) P-C4' energy: -58.618 flat angles C4'-P-C4' energy: -69.784 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -102.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1022.419196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.419196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.419196 (E_RNA) where: Base-Base interactions energy: -685.828 where: short stacking energy: -314.076 Base-Backbone interact. energy: -2.596 local terms energy: -333.995514 where: bonds (distance) C4'-P energy: -47.656 bonds (distance) P-C4' energy: -65.116 flat angles C4'-P-C4' energy: -77.183 flat angles P-C4'-P energy: -48.296 tors. eta vs tors. theta energy: -95.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -932.594424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.594424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.594424 (E_RNA) where: Base-Base interactions energy: -634.077 where: short stacking energy: -283.357 Base-Backbone interact. energy: -0.736 local terms energy: -297.781146 where: bonds (distance) C4'-P energy: -49.865 bonds (distance) P-C4' energy: -62.190 flat angles C4'-P-C4' energy: -57.207 flat angles P-C4'-P energy: -41.087 tors. eta vs tors. theta energy: -87.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -919.376254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.376254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.376254 (E_RNA) where: Base-Base interactions energy: -618.226 where: short stacking energy: -239.084 Base-Backbone interact. energy: -1.673 local terms energy: -299.476593 where: bonds (distance) C4'-P energy: -55.856 bonds (distance) P-C4' energy: -57.055 flat angles C4'-P-C4' energy: -69.869 flat angles P-C4'-P energy: -45.733 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: 5, replica: 1 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -738.741751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.741751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.741751 (E_RNA) where: Base-Base interactions energy: -479.267 where: short stacking energy: -227.427 Base-Backbone interact. energy: -1.024 local terms energy: -258.451082 where: bonds (distance) C4'-P energy: -45.399 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -57.783 flat angles P-C4'-P energy: -27.537 tors. eta vs tors. theta energy: -62.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -679.359497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.359497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.359497 (E_RNA) where: Base-Base interactions energy: -429.981 where: short stacking energy: -193.942 Base-Backbone interact. energy: -2.278 local terms energy: -247.101102 where: bonds (distance) C4'-P energy: -58.440 bonds (distance) P-C4' energy: -52.584 flat angles C4'-P-C4' energy: -58.505 flat angles P-C4'-P energy: -28.883 tors. eta vs tors. theta energy: -48.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -500.628434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.628434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.628434 (E_RNA) where: Base-Base interactions energy: -278.777 where: short stacking energy: -139.545 Base-Backbone interact. energy: -1.473 local terms energy: -220.378311 where: bonds (distance) C4'-P energy: -57.748 bonds (distance) P-C4' energy: -50.881 flat angles C4'-P-C4' energy: -61.716 flat angles P-C4'-P energy: -33.908 tors. eta vs tors. theta energy: -16.125 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: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -464.350820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.350820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.350820 (E_RNA) where: Base-Base interactions energy: -253.346 where: short stacking energy: -132.707 Base-Backbone interact. energy: -1.391 local terms energy: -209.613962 where: bonds (distance) C4'-P energy: -48.644 bonds (distance) P-C4' energy: -61.281 flat angles C4'-P-C4' energy: -41.968 flat angles P-C4'-P energy: -34.793 tors. eta vs tors. theta energy: -22.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -479.170489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.170489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.170489 (E_RNA) where: Base-Base interactions energy: -271.832 where: short stacking energy: -136.413 Base-Backbone interact. energy: -0.828 local terms energy: -206.511186 where: bonds (distance) C4'-P energy: -64.477 bonds (distance) P-C4' energy: -53.419 flat angles C4'-P-C4' energy: -41.050 flat angles P-C4'-P energy: -21.409 tors. eta vs tors. theta energy: -26.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -280.193065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.193065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.193065 (E_RNA) where: Base-Base interactions energy: -114.300 where: short stacking energy: -66.068 Base-Backbone interact. energy: -0.093 local terms energy: -165.799305 where: bonds (distance) C4'-P energy: -58.207 bonds (distance) P-C4' energy: -43.747 flat angles C4'-P-C4' energy: -51.232 flat angles P-C4'-P energy: -27.113 tors. eta vs tors. theta energy: 14.499 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: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1092.324659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.324659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.324659 (E_RNA) where: Base-Base interactions energy: -735.175 where: short stacking energy: -308.174 Base-Backbone interact. energy: 0.943 local terms energy: -358.092171 where: bonds (distance) C4'-P energy: -66.594 bonds (distance) P-C4' energy: -66.404 flat angles C4'-P-C4' energy: -74.540 flat angles P-C4'-P energy: -50.304 tors. eta vs tors. theta energy: -100.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1041.182262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.182262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.182262 (E_RNA) where: Base-Base interactions energy: -704.609 where: short stacking energy: -290.639 Base-Backbone interact. energy: -0.353 local terms energy: -336.220091 where: bonds (distance) C4'-P energy: -62.309 bonds (distance) P-C4' energy: -66.002 flat angles C4'-P-C4' energy: -71.966 flat angles P-C4'-P energy: -49.401 tors. eta vs tors. theta energy: -86.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -966.607058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.607058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.607058 (E_RNA) where: Base-Base interactions energy: -638.087 where: short stacking energy: -280.847 Base-Backbone interact. energy: -1.133 local terms energy: -327.387782 where: bonds (distance) C4'-P energy: -47.432 bonds (distance) P-C4' energy: -60.885 flat angles C4'-P-C4' energy: -76.293 flat angles P-C4'-P energy: -54.460 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: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -959.550828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.550828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.550828 (E_RNA) where: Base-Base interactions energy: -650.145 where: short stacking energy: -250.700 Base-Backbone interact. energy: -2.794 local terms energy: -306.611268 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -63.761 flat angles C4'-P-C4' energy: -62.751 flat angles P-C4'-P energy: -41.883 tors. eta vs tors. theta energy: -76.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -758.167520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.167520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.167520 (E_RNA) where: Base-Base interactions energy: -484.669 where: short stacking energy: -240.800 Base-Backbone interact. energy: 0.413 local terms energy: -273.912060 where: bonds (distance) C4'-P energy: -42.531 bonds (distance) P-C4' energy: -54.776 flat angles C4'-P-C4' energy: -75.097 flat angles P-C4'-P energy: -35.902 tors. eta vs tors. theta energy: -65.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -754.412860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.412860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.412860 (E_RNA) where: Base-Base interactions energy: -495.649 where: short stacking energy: -228.991 Base-Backbone interact. energy: -1.960 local terms energy: -256.804344 where: bonds (distance) C4'-P energy: -58.171 bonds (distance) P-C4' energy: -53.325 flat angles C4'-P-C4' energy: -60.941 flat angles P-C4'-P energy: -31.492 tors. eta vs tors. theta energy: -52.876 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: 312 Temperature: 1.200000 Total energy: -521.999086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.999086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.999086 (E_RNA) where: Base-Base interactions energy: -297.380 where: short stacking energy: -144.157 Base-Backbone interact. energy: -1.737 local terms energy: -222.882200 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -55.894 flat angles C4'-P-C4' energy: -53.023 flat angles P-C4'-P energy: -31.741 tors. eta vs tors. theta energy: -27.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -474.304178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.304178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.304178 (E_RNA) where: Base-Base interactions energy: -256.295 where: short stacking energy: -129.031 Base-Backbone interact. energy: -1.149 local terms energy: -216.859794 where: bonds (distance) C4'-P energy: -54.464 bonds (distance) P-C4' energy: -57.507 flat angles C4'-P-C4' energy: -42.545 flat angles P-C4'-P energy: -38.636 tors. eta vs tors. theta energy: -23.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -472.279751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.279751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.279751 (E_RNA) where: Base-Base interactions energy: -248.010 where: short stacking energy: -128.146 Base-Backbone interact. energy: 0.364 local terms energy: -224.632873 where: bonds (distance) C4'-P energy: -56.794 bonds (distance) P-C4' energy: -54.533 flat angles C4'-P-C4' energy: -52.911 flat angles P-C4'-P energy: -41.206 tors. eta vs tors. theta energy: -19.189 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: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -275.238255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.238255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.238255 (E_RNA) where: Base-Base interactions energy: -96.587 where: short stacking energy: -78.437 Base-Backbone interact. energy: -2.262 local terms energy: -176.389652 where: bonds (distance) C4'-P energy: -58.119 bonds (distance) P-C4' energy: -49.684 flat angles C4'-P-C4' energy: -46.802 flat angles P-C4'-P energy: -21.161 tors. eta vs tors. theta energy: -0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1069.685311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.685311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.685311 (E_RNA) where: Base-Base interactions energy: -728.313 where: short stacking energy: -308.417 Base-Backbone interact. energy: -0.281 local terms energy: -341.091040 where: bonds (distance) C4'-P energy: -60.754 bonds (distance) P-C4' energy: -65.619 flat angles C4'-P-C4' energy: -72.229 flat angles P-C4'-P energy: -40.504 tors. eta vs tors. theta energy: -101.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1029.997554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.997554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.997554 (E_RNA) where: Base-Base interactions energy: -689.112 where: short stacking energy: -310.012 Base-Backbone interact. energy: -0.068 local terms energy: -340.817720 where: bonds (distance) C4'-P energy: -54.415 bonds (distance) P-C4' energy: -64.204 flat angles C4'-P-C4' energy: -73.013 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: -102.829 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: 313 Temperature: 1.000000 Total energy: -988.322642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.322642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.322642 (E_RNA) where: Base-Base interactions energy: -651.247 where: short stacking energy: -289.581 Base-Backbone interact. energy: -0.985 local terms energy: -336.090748 where: bonds (distance) C4'-P energy: -56.865 bonds (distance) P-C4' energy: -65.346 flat angles C4'-P-C4' energy: -71.271 flat angles P-C4'-P energy: -50.771 tors. eta vs tors. theta energy: -91.838 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: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -945.272788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.272788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.272788 (E_RNA) where: Base-Base interactions energy: -637.939 where: short stacking energy: -262.739 Base-Backbone interact. energy: -0.774 local terms energy: -306.560035 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -59.270 flat angles C4'-P-C4' energy: -60.714 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -77.059 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: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -754.278177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.278177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.278177 (E_RNA) where: Base-Base interactions energy: -477.014 where: short stacking energy: -207.721 Base-Backbone interact. energy: -3.845 local terms energy: -273.418784 where: bonds (distance) C4'-P energy: -50.419 bonds (distance) P-C4' energy: -54.061 flat angles C4'-P-C4' energy: -65.664 flat angles P-C4'-P energy: -44.312 tors. eta vs tors. theta energy: -58.963 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: 313 Temperature: 1.150000 Total energy: -745.474032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.474032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.474032 (E_RNA) where: Base-Base interactions energy: -481.256 where: short stacking energy: -224.922 Base-Backbone interact. energy: -0.943 local terms energy: -263.274866 where: bonds (distance) C4'-P energy: -56.586 bonds (distance) P-C4' energy: -55.036 flat angles C4'-P-C4' energy: -56.806 flat angles P-C4'-P energy: -37.290 tors. eta vs tors. theta energy: -57.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -527.205378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.205378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.205378 (E_RNA) where: Base-Base interactions energy: -294.767 where: short stacking energy: -163.479 Base-Backbone interact. energy: 1.549 local terms energy: -233.987485 where: bonds (distance) C4'-P energy: -37.234 bonds (distance) P-C4' energy: -64.859 flat angles C4'-P-C4' energy: -57.010 flat angles P-C4'-P energy: -49.595 tors. eta vs tors. theta energy: -25.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -494.141358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.141358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.141358 (E_RNA) where: Base-Base interactions energy: -271.885 where: short stacking energy: -156.978 Base-Backbone interact. energy: 1.091 local terms energy: -223.347081 where: bonds (distance) C4'-P energy: -54.688 bonds (distance) P-C4' energy: -58.878 flat angles C4'-P-C4' energy: -52.077 flat angles P-C4'-P energy: -31.701 tors. eta vs tors. theta energy: -26.002 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: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -465.380524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.380524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.380524 (E_RNA) where: Base-Base interactions energy: -259.481 where: short stacking energy: -128.449 Base-Backbone interact. energy: 0.509 local terms energy: -206.408398 where: bonds (distance) C4'-P energy: -47.201 bonds (distance) P-C4' energy: -50.199 flat angles C4'-P-C4' energy: -59.006 flat angles P-C4'-P energy: -34.141 tors. eta vs tors. theta energy: -15.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -266.439805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.439805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.439805 (E_RNA) where: Base-Base interactions energy: -108.054 where: short stacking energy: -79.590 Base-Backbone interact. energy: -0.233 local terms energy: -158.152892 where: bonds (distance) C4'-P energy: -51.704 bonds (distance) P-C4' energy: -56.500 flat angles C4'-P-C4' energy: -44.974 flat angles P-C4'-P energy: -17.450 tors. eta vs tors. theta energy: 12.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1057.864816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.864816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.864816 (E_RNA) where: Base-Base interactions energy: -709.981 where: short stacking energy: -298.758 Base-Backbone interact. energy: -1.052 local terms energy: -346.831650 where: bonds (distance) C4'-P energy: -61.972 bonds (distance) P-C4' energy: -65.982 flat angles C4'-P-C4' energy: -67.227 flat angles P-C4'-P energy: -53.466 tors. eta vs tors. theta energy: -98.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1028.403888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.403888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.403888 (E_RNA) where: Base-Base interactions energy: -696.075 where: short stacking energy: -291.155 Base-Backbone interact. energy: 2.946 local terms energy: -335.275277 where: bonds (distance) C4'-P energy: -53.157 bonds (distance) P-C4' energy: -70.035 flat angles C4'-P-C4' energy: -63.081 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -101.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -950.677233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.677233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.677233 (E_RNA) where: Base-Base interactions energy: -621.661 where: short stacking energy: -266.559 Base-Backbone interact. energy: -2.455 local terms energy: -326.561180 where: bonds (distance) C4'-P energy: -59.848 bonds (distance) P-C4' energy: -65.362 flat angles C4'-P-C4' energy: -69.628 flat angles P-C4'-P energy: -53.258 tors. eta vs tors. theta energy: -78.465 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: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -901.201304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.201304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.201304 (E_RNA) where: Base-Base interactions energy: -603.731 where: short stacking energy: -259.250 Base-Backbone interact. energy: -2.220 local terms energy: -295.250061 where: bonds (distance) C4'-P energy: -55.974 bonds (distance) P-C4' energy: -57.724 flat angles C4'-P-C4' energy: -67.062 flat angles P-C4'-P energy: -43.038 tors. eta vs tors. theta energy: -71.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -755.909433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.909433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.909433 (E_RNA) where: Base-Base interactions energy: -479.700 where: short stacking energy: -240.380 Base-Backbone interact. energy: -1.731 local terms energy: -274.479387 where: bonds (distance) C4'-P energy: -49.125 bonds (distance) P-C4' energy: -57.352 flat angles C4'-P-C4' energy: -62.283 flat angles P-C4'-P energy: -38.273 tors. eta vs tors. theta energy: -67.447 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: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -756.493469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.493469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.493469 (E_RNA) where: Base-Base interactions energy: -484.906 where: short stacking energy: -224.229 Base-Backbone interact. energy: 1.363 local terms energy: -272.950598 where: bonds (distance) C4'-P energy: -62.850 bonds (distance) P-C4' energy: -54.282 flat angles C4'-P-C4' energy: -60.528 flat angles P-C4'-P energy: -40.437 tors. eta vs tors. theta energy: -54.854 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: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -559.158890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.158890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.158890 (E_RNA) where: Base-Base interactions energy: -323.785 where: short stacking energy: -166.801 Base-Backbone interact. energy: -1.315 local terms energy: -234.058594 where: bonds (distance) C4'-P energy: -53.832 bonds (distance) P-C4' energy: -59.648 flat angles C4'-P-C4' energy: -52.764 flat angles P-C4'-P energy: -31.379 tors. eta vs tors. theta energy: -36.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -508.708851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.708851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.708851 (E_RNA) where: Base-Base interactions energy: -300.409 where: short stacking energy: -148.702 Base-Backbone interact. energy: -0.548 local terms energy: -207.751570 where: bonds (distance) C4'-P energy: -48.438 bonds (distance) P-C4' energy: -56.092 flat angles C4'-P-C4' energy: -49.970 flat angles P-C4'-P energy: -29.398 tors. eta vs tors. theta energy: -23.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -479.909462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.909462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.909462 (E_RNA) where: Base-Base interactions energy: -286.601 where: short stacking energy: -139.012 Base-Backbone interact. energy: -0.473 local terms energy: -192.835782 where: bonds (distance) C4'-P energy: -47.746 bonds (distance) P-C4' energy: -59.889 flat angles C4'-P-C4' energy: -26.353 flat angles P-C4'-P energy: -34.073 tors. eta vs tors. theta energy: -24.775 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: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -264.975537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.975537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.975537 (E_RNA) where: Base-Base interactions energy: -89.009 where: short stacking energy: -76.807 Base-Backbone interact. energy: -0.275 local terms energy: -175.691804 where: bonds (distance) C4'-P energy: -54.219 bonds (distance) P-C4' energy: -46.521 flat angles C4'-P-C4' energy: -43.004 flat angles P-C4'-P energy: -35.526 tors. eta vs tors. theta energy: 3.579 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: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1030.526958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.526958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.526958 (E_RNA) where: Base-Base interactions energy: -691.823 where: short stacking energy: -304.661 Base-Backbone interact. energy: -1.487 local terms energy: -337.216906 where: bonds (distance) C4'-P energy: -59.496 bonds (distance) P-C4' energy: -64.819 flat angles C4'-P-C4' energy: -64.223 flat angles P-C4'-P energy: -52.981 tors. eta vs tors. theta energy: -95.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1041.125954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.125954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.125954 (E_RNA) where: Base-Base interactions energy: -704.000 where: short stacking energy: -308.422 Base-Backbone interact. energy: -1.001 local terms energy: -336.125467 where: bonds (distance) C4'-P energy: -66.879 bonds (distance) P-C4' energy: -52.383 flat angles C4'-P-C4' energy: -72.681 flat angles P-C4'-P energy: -40.814 tors. eta vs tors. theta energy: -103.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -980.746297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.746297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.746297 (E_RNA) where: Base-Base interactions energy: -659.608 where: short stacking energy: -285.226 Base-Backbone interact. energy: -0.093 local terms energy: -321.045355 where: bonds (distance) C4'-P energy: -54.476 bonds (distance) P-C4' energy: -55.198 flat angles C4'-P-C4' energy: -68.298 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -94.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -933.728383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.728383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.728383 (E_RNA) where: Base-Base interactions energy: -616.505 where: short stacking energy: -264.424 Base-Backbone interact. energy: -2.714 local terms energy: -314.509332 where: bonds (distance) C4'-P energy: -66.649 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -66.326 flat angles P-C4'-P energy: -46.632 tors. eta vs tors. theta energy: -74.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -794.902150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.902150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.902150 (E_RNA) where: Base-Base interactions energy: -544.305 where: short stacking energy: -241.767 Base-Backbone interact. energy: 0.433 local terms energy: -251.030257 where: bonds (distance) C4'-P energy: -40.545 bonds (distance) P-C4' energy: -54.043 flat angles C4'-P-C4' energy: -58.778 flat angles P-C4'-P energy: -33.143 tors. eta vs tors. theta energy: -64.521 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: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -702.691821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.691821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.691821 (E_RNA) where: Base-Base interactions energy: -439.512 where: short stacking energy: -184.007 Base-Backbone interact. energy: -0.464 local terms energy: -262.715704 where: bonds (distance) C4'-P energy: -68.975 bonds (distance) P-C4' energy: -63.297 flat angles C4'-P-C4' energy: -51.850 flat angles P-C4'-P energy: -23.039 tors. eta vs tors. theta energy: -55.556 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: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -586.887368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.887368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.887368 (E_RNA) where: Base-Base interactions energy: -361.895 where: short stacking energy: -181.505 Base-Backbone interact. energy: -1.130 local terms energy: -223.862783 where: bonds (distance) C4'-P energy: -41.596 bonds (distance) P-C4' energy: -55.265 flat angles C4'-P-C4' energy: -60.996 flat angles P-C4'-P energy: -21.382 tors. eta vs tors. theta energy: -44.623 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: 8, replica: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -486.450665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.450665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.450665 (E_RNA) where: Base-Base interactions energy: -266.320 where: short stacking energy: -139.019 Base-Backbone interact. energy: -1.408 local terms energy: -218.723327 where: bonds (distance) C4'-P energy: -47.372 bonds (distance) P-C4' energy: -60.124 flat angles C4'-P-C4' energy: -46.714 flat angles P-C4'-P energy: -40.166 tors. eta vs tors. theta energy: -24.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -467.566018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.566018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.566018 (E_RNA) where: Base-Base interactions energy: -270.871 where: short stacking energy: -136.831 Base-Backbone interact. energy: -1.778 local terms energy: -194.916628 where: bonds (distance) C4'-P energy: -43.590 bonds (distance) P-C4' energy: -49.802 flat angles C4'-P-C4' energy: -57.815 flat angles P-C4'-P energy: -24.870 tors. eta vs tors. theta energy: -18.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -257.418727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.418727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.418727 (E_RNA) where: Base-Base interactions energy: -102.282 where: short stacking energy: -80.556 Base-Backbone interact. energy: -0.113 local terms energy: -155.024446 where: bonds (distance) C4'-P energy: -58.468 bonds (distance) P-C4' energy: -56.290 flat angles C4'-P-C4' energy: -39.848 flat angles P-C4'-P energy: -13.431 tors. eta vs tors. theta energy: 13.013 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: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1032.863552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.863552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.863552 (E_RNA) where: Base-Base interactions energy: -696.210 where: short stacking energy: -305.942 Base-Backbone interact. energy: -0.892 local terms energy: -335.761677 where: bonds (distance) C4'-P energy: -62.175 bonds (distance) P-C4' energy: -64.535 flat angles C4'-P-C4' energy: -70.430 flat angles P-C4'-P energy: -46.029 tors. eta vs tors. theta energy: -92.593 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: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1036.392237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.392237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.392237 (E_RNA) where: Base-Base interactions energy: -703.579 where: short stacking energy: -299.080 Base-Backbone interact. energy: -1.433 local terms energy: -331.380935 where: bonds (distance) C4'-P energy: -61.467 bonds (distance) P-C4' energy: -59.329 flat angles C4'-P-C4' energy: -76.390 flat angles P-C4'-P energy: -44.128 tors. eta vs tors. theta energy: -90.067 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: 8 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -977.152172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.152172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.152172 (E_RNA) where: Base-Base interactions energy: -657.603 where: short stacking energy: -260.664 Base-Backbone interact. energy: -0.535 local terms energy: -319.014535 where: bonds (distance) C4'-P energy: -65.609 bonds (distance) P-C4' energy: -65.456 flat angles C4'-P-C4' energy: -69.294 flat angles P-C4'-P energy: -42.774 tors. eta vs tors. theta energy: -75.881 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: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -962.333243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.333243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.333243 (E_RNA) where: Base-Base interactions energy: -652.143 where: short stacking energy: -303.395 Base-Backbone interact. energy: -0.938 local terms energy: -309.251948 where: bonds (distance) C4'-P energy: -62.605 bonds (distance) P-C4' energy: -53.842 flat angles C4'-P-C4' energy: -61.325 flat angles P-C4'-P energy: -44.537 tors. eta vs tors. theta energy: -86.942 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: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -776.306436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.306436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.306436 (E_RNA) where: Base-Base interactions energy: -506.361 where: short stacking energy: -225.350 Base-Backbone interact. energy: 1.038 local terms energy: -270.983516 where: bonds (distance) C4'-P energy: -60.416 bonds (distance) P-C4' energy: -58.932 flat angles C4'-P-C4' energy: -49.576 flat angles P-C4'-P energy: -43.020 tors. eta vs tors. theta energy: -59.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -718.476565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.476565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.476565 (E_RNA) where: Base-Base interactions energy: -442.086 where: short stacking energy: -191.198 Base-Backbone interact. energy: -1.819 local terms energy: -274.572361 where: bonds (distance) C4'-P energy: -64.427 bonds (distance) P-C4' energy: -58.268 flat angles C4'-P-C4' energy: -53.744 flat angles P-C4'-P energy: -49.721 tors. eta vs tors. theta energy: -48.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -578.254097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.254097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.254097 (E_RNA) where: Base-Base interactions energy: -342.054 where: short stacking energy: -161.585 Base-Backbone interact. energy: -2.444 local terms energy: -233.756373 where: bonds (distance) C4'-P energy: -63.407 bonds (distance) P-C4' energy: -57.293 flat angles C4'-P-C4' energy: -50.241 flat angles P-C4'-P energy: -36.647 tors. eta vs tors. theta energy: -26.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -456.018239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.018239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.018239 (E_RNA) where: Base-Base interactions energy: -240.340 where: short stacking energy: -139.334 Base-Backbone interact. energy: 0.849 local terms energy: -216.526916 where: bonds (distance) C4'-P energy: -60.738 bonds (distance) P-C4' energy: -58.936 flat angles C4'-P-C4' energy: -59.315 flat angles P-C4'-P energy: -18.596 tors. eta vs tors. theta energy: -18.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -478.975656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.975656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.975656 (E_RNA) where: Base-Base interactions energy: -271.096 where: short stacking energy: -145.134 Base-Backbone interact. energy: -0.097 local terms energy: -207.782791 where: bonds (distance) C4'-P energy: -55.334 bonds (distance) P-C4' energy: -53.355 flat angles C4'-P-C4' energy: -44.742 flat angles P-C4'-P energy: -16.532 tors. eta vs tors. theta energy: -37.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -258.777962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.777962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.777962 (E_RNA) where: Base-Base interactions energy: -113.272 where: short stacking energy: -64.612 Base-Backbone interact. energy: 1.145 local terms energy: -146.650614 where: bonds (distance) C4'-P energy: -53.009 bonds (distance) P-C4' energy: -44.997 flat angles C4'-P-C4' energy: -51.242 flat angles P-C4'-P energy: -12.801 tors. eta vs tors. theta energy: 15.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1057.560205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.560205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.560205 (E_RNA) where: Base-Base interactions energy: -716.026 where: short stacking energy: -318.215 Base-Backbone interact. energy: -1.800 local terms energy: -339.734128 where: bonds (distance) C4'-P energy: -65.667 bonds (distance) P-C4' energy: -60.958 flat angles C4'-P-C4' energy: -71.180 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: -96.214 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: 2, replica: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1033.592398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.592398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.592398 (E_RNA) where: Base-Base interactions energy: -709.114 where: short stacking energy: -307.386 Base-Backbone interact. energy: 0.241 local terms energy: -324.718735 where: bonds (distance) C4'-P energy: -55.361 bonds (distance) P-C4' energy: -69.825 flat angles C4'-P-C4' energy: -63.292 flat angles P-C4'-P energy: -39.715 tors. eta vs tors. theta energy: -96.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -962.323930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.323930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.323930 (E_RNA) where: Base-Base interactions energy: -666.794 where: short stacking energy: -278.860 Base-Backbone interact. energy: -2.594 local terms energy: -292.935685 where: bonds (distance) C4'-P energy: -54.534 bonds (distance) P-C4' energy: -54.172 flat angles C4'-P-C4' energy: -65.276 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: -77.629 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: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -960.835376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.835376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.835376 (E_RNA) where: Base-Base interactions energy: -639.423 where: short stacking energy: -293.392 Base-Backbone interact. energy: -2.378 local terms energy: -319.034983 where: bonds (distance) C4'-P energy: -48.755 bonds (distance) P-C4' energy: -58.630 flat angles C4'-P-C4' energy: -73.394 flat angles P-C4'-P energy: -51.672 tors. eta vs tors. theta energy: -86.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -763.746426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.746426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.746426 (E_RNA) where: Base-Base interactions energy: -471.742 where: short stacking energy: -242.995 Base-Backbone interact. energy: -1.870 local terms energy: -290.134490 where: bonds (distance) C4'-P energy: -53.701 bonds (distance) P-C4' energy: -64.919 flat angles C4'-P-C4' energy: -62.759 flat angles P-C4'-P energy: -38.358 tors. eta vs tors. theta energy: -70.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -697.867502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.867502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.867502 (E_RNA) where: Base-Base interactions energy: -449.657 where: short stacking energy: -215.126 Base-Backbone interact. energy: 2.138 local terms energy: -250.348819 where: bonds (distance) C4'-P energy: -45.802 bonds (distance) P-C4' energy: -57.038 flat angles C4'-P-C4' energy: -66.777 flat angles P-C4'-P energy: -27.727 tors. eta vs tors. theta energy: -53.005 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: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -641.749428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.749428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.749428 (E_RNA) where: Base-Base interactions energy: -395.794 where: short stacking energy: -171.087 Base-Backbone interact. energy: -0.726 local terms energy: -245.229297 where: bonds (distance) C4'-P energy: -60.892 bonds (distance) P-C4' energy: -50.981 flat angles C4'-P-C4' energy: -53.591 flat angles P-C4'-P energy: -28.321 tors. eta vs tors. theta energy: -51.444 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: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -475.781518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.781518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.781518 (E_RNA) where: Base-Base interactions energy: -273.878 where: short stacking energy: -151.445 Base-Backbone interact. energy: 2.986 local terms energy: -204.889317 where: bonds (distance) C4'-P energy: -57.215 bonds (distance) P-C4' energy: -48.288 flat angles C4'-P-C4' energy: -47.368 flat angles P-C4'-P energy: -30.933 tors. eta vs tors. theta energy: -21.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -415.110964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.110964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.110964 (E_RNA) where: Base-Base interactions energy: -218.189 where: short stacking energy: -120.298 Base-Backbone interact. energy: 0.695 local terms energy: -197.617918 where: bonds (distance) C4'-P energy: -46.943 bonds (distance) P-C4' energy: -63.025 flat angles C4'-P-C4' energy: -44.010 flat angles P-C4'-P energy: -29.198 tors. eta vs tors. theta energy: -14.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -255.466011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.466011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.466011 (E_RNA) where: Base-Base interactions energy: -95.253 where: short stacking energy: -83.898 Base-Backbone interact. energy: -0.425 local terms energy: -159.788493 where: bonds (distance) C4'-P energy: -42.984 bonds (distance) P-C4' energy: -50.475 flat angles C4'-P-C4' energy: -43.576 flat angles P-C4'-P energy: -29.852 tors. eta vs tors. theta energy: 7.098 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: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1032.916398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.916398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.916398 (E_RNA) where: Base-Base interactions energy: -686.750 where: short stacking energy: -298.774 Base-Backbone interact. energy: 0.555 local terms energy: -346.721556 where: bonds (distance) C4'-P energy: -67.286 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -64.285 flat angles P-C4'-P energy: -53.655 tors. eta vs tors. theta energy: -97.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1024.228802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.228802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.228802 (E_RNA) where: Base-Base interactions energy: -693.977 where: short stacking energy: -295.270 Base-Backbone interact. energy: 1.992 local terms energy: -332.243109 where: bonds (distance) C4'-P energy: -61.095 bonds (distance) P-C4' energy: -56.697 flat angles C4'-P-C4' energy: -69.902 flat angles P-C4'-P energy: -48.776 tors. eta vs tors. theta energy: -95.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -968.441027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.441027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.441027 (E_RNA) where: Base-Base interactions energy: -673.983 where: short stacking energy: -254.499 Base-Backbone interact. energy: -2.325 local terms energy: -292.133585 where: bonds (distance) C4'-P energy: -60.052 bonds (distance) P-C4' energy: -62.151 flat angles C4'-P-C4' energy: -58.538 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -69.499 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: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -953.975696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.975696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.975696 (E_RNA) where: Base-Base interactions energy: -645.935 where: short stacking energy: -276.092 Base-Backbone interact. energy: -0.544 local terms energy: -307.496691 where: bonds (distance) C4'-P energy: -62.965 bonds (distance) P-C4' energy: -57.715 flat angles C4'-P-C4' energy: -60.006 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -78.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -743.022786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.022786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.022786 (E_RNA) where: Base-Base interactions energy: -455.455 where: short stacking energy: -223.105 Base-Backbone interact. energy: -0.865 local terms energy: -286.702550 where: bonds (distance) C4'-P energy: -46.203 bonds (distance) P-C4' energy: -61.428 flat angles C4'-P-C4' energy: -71.284 flat angles P-C4'-P energy: -49.078 tors. eta vs tors. theta energy: -58.710 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: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -729.869165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.869165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.869165 (E_RNA) where: Base-Base interactions energy: -466.428 where: short stacking energy: -218.155 Base-Backbone interact. energy: -1.635 local terms energy: -261.806116 where: bonds (distance) C4'-P energy: -55.783 bonds (distance) P-C4' energy: -64.781 flat angles C4'-P-C4' energy: -56.383 flat angles P-C4'-P energy: -30.063 tors. eta vs tors. theta energy: -54.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -625.919479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.919479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.919479 (E_RNA) where: Base-Base interactions energy: -407.638 where: short stacking energy: -178.632 Base-Backbone interact. energy: -1.262 local terms energy: -217.019446 where: bonds (distance) C4'-P energy: -53.086 bonds (distance) P-C4' energy: -54.556 flat angles C4'-P-C4' energy: -51.230 flat angles P-C4'-P energy: -31.305 tors. eta vs tors. theta energy: -26.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -490.448052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.448052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.448052 (E_RNA) where: Base-Base interactions energy: -257.236 where: short stacking energy: -147.956 Base-Backbone interact. energy: -0.080 local terms energy: -233.132557 where: bonds (distance) C4'-P energy: -63.206 bonds (distance) P-C4' energy: -55.963 flat angles C4'-P-C4' energy: -59.686 flat angles P-C4'-P energy: -31.194 tors. eta vs tors. theta energy: -23.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -427.826850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.826850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.826850 (E_RNA) where: Base-Base interactions energy: -235.844 where: short stacking energy: -115.886 Base-Backbone interact. energy: -0.817 local terms energy: -191.166153 where: bonds (distance) C4'-P energy: -46.293 bonds (distance) P-C4' energy: -51.128 flat angles C4'-P-C4' energy: -56.988 flat angles P-C4'-P energy: -25.604 tors. eta vs tors. theta energy: -11.153 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: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -256.507364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.507364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.507364 (E_RNA) where: Base-Base interactions energy: -97.829 where: short stacking energy: -68.386 Base-Backbone interact. energy: -1.241 local terms energy: -157.437150 where: bonds (distance) C4'-P energy: -52.403 bonds (distance) P-C4' energy: -40.489 flat angles C4'-P-C4' energy: -43.239 flat angles P-C4'-P energy: -30.838 tors. eta vs tors. theta energy: 9.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1021.310604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.310604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.310604 (E_RNA) where: Base-Base interactions energy: -678.416 where: short stacking energy: -305.783 Base-Backbone interact. energy: 0.229 local terms energy: -343.123520 where: bonds (distance) C4'-P energy: -62.598 bonds (distance) P-C4' energy: -65.567 flat angles C4'-P-C4' energy: -72.894 flat angles P-C4'-P energy: -45.047 tors. eta vs tors. theta energy: -97.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1023.234013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.234013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.234013 (E_RNA) where: Base-Base interactions energy: -707.187 where: short stacking energy: -288.753 Base-Backbone interact. energy: -1.237 local terms energy: -314.810390 where: bonds (distance) C4'-P energy: -64.418 bonds (distance) P-C4' energy: -49.754 flat angles C4'-P-C4' energy: -66.930 flat angles P-C4'-P energy: -42.532 tors. eta vs tors. theta energy: -91.176 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: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -951.170267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.170267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.170267 (E_RNA) where: Base-Base interactions energy: -653.823 where: short stacking energy: -260.289 Base-Backbone interact. energy: -0.718 local terms energy: -296.628930 where: bonds (distance) C4'-P energy: -60.310 bonds (distance) P-C4' energy: -64.347 flat angles C4'-P-C4' energy: -62.644 flat angles P-C4'-P energy: -37.077 tors. eta vs tors. theta energy: -72.250 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: 7 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -940.080819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.080819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.080819 (E_RNA) where: Base-Base interactions energy: -642.344 where: short stacking energy: -274.194 Base-Backbone interact. energy: -0.621 local terms energy: -297.115571 where: bonds (distance) C4'-P energy: -60.116 bonds (distance) P-C4' energy: -58.050 flat angles C4'-P-C4' energy: -51.755 flat angles P-C4'-P energy: -38.835 tors. eta vs tors. theta energy: -88.359 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: 1 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -719.337944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.337944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.337944 (E_RNA) where: Base-Base interactions energy: -439.900 where: short stacking energy: -195.936 Base-Backbone interact. energy: -1.901 local terms energy: -277.537227 where: bonds (distance) C4'-P energy: -48.844 bonds (distance) P-C4' energy: -60.299 flat angles C4'-P-C4' energy: -67.663 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: -59.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -725.375090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.375090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.375090 (E_RNA) where: Base-Base interactions energy: -469.476 where: short stacking energy: -208.911 Base-Backbone interact. energy: 1.951 local terms energy: -257.849519 where: bonds (distance) C4'-P energy: -53.926 bonds (distance) P-C4' energy: -57.033 flat angles C4'-P-C4' energy: -44.922 flat angles P-C4'-P energy: -42.128 tors. eta vs tors. theta energy: -59.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -624.131328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.131328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.131328 (E_RNA) where: Base-Base interactions energy: -390.583 where: short stacking energy: -166.167 Base-Backbone interact. energy: -2.608 local terms energy: -230.939944 where: bonds (distance) C4'-P energy: -59.047 bonds (distance) P-C4' energy: -44.890 flat angles C4'-P-C4' energy: -54.670 flat angles P-C4'-P energy: -42.339 tors. eta vs tors. theta energy: -29.994 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: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -476.638865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.638865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.638865 (E_RNA) where: Base-Base interactions energy: -264.285 where: short stacking energy: -159.891 Base-Backbone interact. energy: 1.949 local terms energy: -214.303202 where: bonds (distance) C4'-P energy: -42.097 bonds (distance) P-C4' energy: -48.710 flat angles C4'-P-C4' energy: -62.092 flat angles P-C4'-P energy: -28.107 tors. eta vs tors. theta energy: -33.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -493.235618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.235618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.235618 (E_RNA) where: Base-Base interactions energy: -297.018 where: short stacking energy: -147.455 Base-Backbone interact. energy: -1.132 local terms energy: -195.086363 where: bonds (distance) C4'-P energy: -42.274 bonds (distance) P-C4' energy: -50.151 flat angles C4'-P-C4' energy: -41.025 flat angles P-C4'-P energy: -37.685 tors. eta vs tors. theta energy: -23.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -273.555197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.555197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.555197 (E_RNA) where: Base-Base interactions energy: -89.870 where: short stacking energy: -71.721 Base-Backbone interact. energy: -1.758 local terms energy: -181.927417 where: bonds (distance) C4'-P energy: -40.485 bonds (distance) P-C4' energy: -56.159 flat angles C4'-P-C4' energy: -54.348 flat angles P-C4'-P energy: -35.461 tors. eta vs tors. theta energy: 4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1067.354320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.354320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.354320 (E_RNA) where: Base-Base interactions energy: -715.231 where: short stacking energy: -328.795 Base-Backbone interact. energy: -3.251 local terms energy: -348.871758 where: bonds (distance) C4'-P energy: -60.110 bonds (distance) P-C4' energy: -52.997 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -48.177 tors. eta vs tors. theta energy: -107.921 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: 2, replica: 10 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1019.868645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.868645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.868645 (E_RNA) where: Base-Base interactions energy: -698.023 where: short stacking energy: -278.884 Base-Backbone interact. energy: -1.296 local terms energy: -320.549196 where: bonds (distance) C4'-P energy: -61.266 bonds (distance) P-C4' energy: -60.258 flat angles C4'-P-C4' energy: -71.330 flat angles P-C4'-P energy: -38.232 tors. eta vs tors. theta energy: -89.463 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: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -983.125561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.125561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.125561 (E_RNA) where: Base-Base interactions energy: -662.872 where: short stacking energy: -284.008 Base-Backbone interact. energy: -1.696 local terms energy: -318.557114 where: bonds (distance) C4'-P energy: -62.332 bonds (distance) P-C4' energy: -54.414 flat angles C4'-P-C4' energy: -69.342 flat angles P-C4'-P energy: -48.565 tors. eta vs tors. theta energy: -83.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -946.835768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.835768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.835768 (E_RNA) where: Base-Base interactions energy: -654.236 where: short stacking energy: -268.618 Base-Backbone interact. energy: -0.555 local terms energy: -292.045611 where: bonds (distance) C4'-P energy: -49.640 bonds (distance) P-C4' energy: -58.187 flat angles C4'-P-C4' energy: -58.327 flat angles P-C4'-P energy: -42.436 tors. eta vs tors. theta energy: -83.455 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: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -743.459468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.459468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.459468 (E_RNA) where: Base-Base interactions energy: -454.844 where: short stacking energy: -228.409 Base-Backbone interact. energy: 0.659 local terms energy: -289.274211 where: bonds (distance) C4'-P energy: -53.406 bonds (distance) P-C4' energy: -56.519 flat angles C4'-P-C4' energy: -68.352 flat angles P-C4'-P energy: -39.798 tors. eta vs tors. theta energy: -71.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -706.753107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.753107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.753107 (E_RNA) where: Base-Base interactions energy: -465.857 where: short stacking energy: -211.978 Base-Backbone interact. energy: -1.402 local terms energy: -239.494119 where: bonds (distance) C4'-P energy: -56.668 bonds (distance) P-C4' energy: -46.708 flat angles C4'-P-C4' energy: -52.738 flat angles P-C4'-P energy: -23.369 tors. eta vs tors. theta energy: -60.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -604.205947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.205947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.205947 (E_RNA) where: Base-Base interactions energy: -345.633 where: short stacking energy: -169.977 Base-Backbone interact. energy: 2.915 local terms energy: -261.488443 where: bonds (distance) C4'-P energy: -57.625 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -61.725 flat angles P-C4'-P energy: -35.925 tors. eta vs tors. theta energy: -32.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -513.150681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.150681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.150681 (E_RNA) where: Base-Base interactions energy: -292.539 where: short stacking energy: -142.677 Base-Backbone interact. energy: -0.721 local terms energy: -219.890617 where: bonds (distance) C4'-P energy: -49.140 bonds (distance) P-C4' energy: -58.443 flat angles C4'-P-C4' energy: -57.026 flat angles P-C4'-P energy: -26.028 tors. eta vs tors. theta energy: -29.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -500.358361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.358361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.358361 (E_RNA) where: Base-Base interactions energy: -279.371 where: short stacking energy: -133.715 Base-Backbone interact. energy: -1.634 local terms energy: -219.353520 where: bonds (distance) C4'-P energy: -56.551 bonds (distance) P-C4' energy: -56.309 flat angles C4'-P-C4' energy: -60.836 flat angles P-C4'-P energy: -27.773 tors. eta vs tors. theta energy: -17.884 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: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -240.562582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.562582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.562582 (E_RNA) where: Base-Base interactions energy: -78.524 where: short stacking energy: -62.069 Base-Backbone interact. energy: 3.547 local terms energy: -165.585197 where: bonds (distance) C4'-P energy: -49.121 bonds (distance) P-C4' energy: -52.915 flat angles C4'-P-C4' energy: -47.559 flat angles P-C4'-P energy: -22.105 tors. eta vs tors. theta energy: 6.114 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: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1048.966139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.966139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.966139 (E_RNA) where: Base-Base interactions energy: -686.714 where: short stacking energy: -321.463 Base-Backbone interact. energy: -1.026 local terms energy: -361.226058 where: bonds (distance) C4'-P energy: -69.916 bonds (distance) P-C4' energy: -60.045 flat angles C4'-P-C4' energy: -70.507 flat angles P-C4'-P energy: -54.791 tors. eta vs tors. theta energy: -105.967 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: 7 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -990.117080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.117080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.117080 (E_RNA) where: Base-Base interactions energy: -665.507 where: short stacking energy: -297.068 Base-Backbone interact. energy: -0.348 local terms energy: -324.261862 where: bonds (distance) C4'-P energy: -51.083 bonds (distance) P-C4' energy: -71.145 flat angles C4'-P-C4' energy: -69.333 flat angles P-C4'-P energy: -45.586 tors. eta vs tors. theta energy: -87.114 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: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -995.274649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.274649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.274649 (E_RNA) where: Base-Base interactions energy: -675.757 where: short stacking energy: -283.624 Base-Backbone interact. energy: 0.998 local terms energy: -320.515726 where: bonds (distance) C4'-P energy: -60.223 bonds (distance) P-C4' energy: -63.469 flat angles C4'-P-C4' energy: -62.695 flat angles P-C4'-P energy: -42.700 tors. eta vs tors. theta energy: -91.429 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: 321 Temperature: 1.050000 Total energy: -942.266534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.266534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.266534 (E_RNA) where: Base-Base interactions energy: -642.235 where: short stacking energy: -289.867 Base-Backbone interact. energy: -2.650 local terms energy: -297.381946 where: bonds (distance) C4'-P energy: -58.428 bonds (distance) P-C4' energy: -50.526 flat angles C4'-P-C4' energy: -67.880 flat angles P-C4'-P energy: -35.360 tors. eta vs tors. theta energy: -85.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -739.996722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.996722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.996722 (E_RNA) where: Base-Base interactions energy: -474.360 where: short stacking energy: -212.167 Base-Backbone interact. energy: 1.875 local terms energy: -267.511891 where: bonds (distance) C4'-P energy: -57.393 bonds (distance) P-C4' energy: -56.268 flat angles C4'-P-C4' energy: -56.576 flat angles P-C4'-P energy: -43.203 tors. eta vs tors. theta energy: -54.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -718.686185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.686185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.686185 (E_RNA) where: Base-Base interactions energy: -451.976 where: short stacking energy: -215.631 Base-Backbone interact. energy: -1.055 local terms energy: -265.654811 where: bonds (distance) C4'-P energy: -55.475 bonds (distance) P-C4' energy: -53.392 flat angles C4'-P-C4' energy: -63.509 flat angles P-C4'-P energy: -42.952 tors. eta vs tors. theta energy: -50.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -597.367423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.367423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.367423 (E_RNA) where: Base-Base interactions energy: -352.607 where: short stacking energy: -171.371 Base-Backbone interact. energy: -0.180 local terms energy: -244.579714 where: bonds (distance) C4'-P energy: -45.624 bonds (distance) P-C4' energy: -64.435 flat angles C4'-P-C4' energy: -60.991 flat angles P-C4'-P energy: -29.286 tors. eta vs tors. theta energy: -44.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -489.011483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.011483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.011483 (E_RNA) where: Base-Base interactions energy: -275.385 where: short stacking energy: -153.762 Base-Backbone interact. energy: 3.168 local terms energy: -216.794963 where: bonds (distance) C4'-P energy: -53.469 bonds (distance) P-C4' energy: -54.827 flat angles C4'-P-C4' energy: -43.620 flat angles P-C4'-P energy: -36.374 tors. eta vs tors. theta energy: -28.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -516.449125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.449125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.449125 (E_RNA) where: Base-Base interactions energy: -316.879 where: short stacking energy: -148.667 Base-Backbone interact. energy: -1.085 local terms energy: -198.484908 where: bonds (distance) C4'-P energy: -46.370 bonds (distance) P-C4' energy: -52.612 flat angles C4'-P-C4' energy: -39.847 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -20.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -372.098978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.098978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.098978 (E_RNA) where: Base-Base interactions energy: -175.589 where: short stacking energy: -85.127 Base-Backbone interact. energy: 0.884 local terms energy: -197.394277 where: bonds (distance) C4'-P energy: -62.719 bonds (distance) P-C4' energy: -58.514 flat angles C4'-P-C4' energy: -57.979 flat angles P-C4'-P energy: -18.412 tors. eta vs tors. theta energy: 0.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1029.736191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.736191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.736191 (E_RNA) where: Base-Base interactions energy: -694.006 where: short stacking energy: -302.119 Base-Backbone interact. energy: -0.355 local terms energy: -335.375681 where: bonds (distance) C4'-P energy: -58.146 bonds (distance) P-C4' energy: -63.050 flat angles C4'-P-C4' energy: -74.743 flat angles P-C4'-P energy: -43.180 tors. eta vs tors. theta energy: -96.256 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: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1003.413481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.413481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.413481 (E_RNA) where: Base-Base interactions energy: -688.369 where: short stacking energy: -297.090 Base-Backbone interact. energy: -2.034 local terms energy: -313.010456 where: bonds (distance) C4'-P energy: -59.559 bonds (distance) P-C4' energy: -56.901 flat angles C4'-P-C4' energy: -62.301 flat angles P-C4'-P energy: -46.935 tors. eta vs tors. theta energy: -87.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -985.740873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.740873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.740873 (E_RNA) where: Base-Base interactions energy: -667.059 where: short stacking energy: -270.003 Base-Backbone interact. energy: 0.824 local terms energy: -319.505422 where: bonds (distance) C4'-P energy: -68.094 bonds (distance) P-C4' energy: -57.679 flat angles C4'-P-C4' energy: -64.163 flat angles P-C4'-P energy: -48.574 tors. eta vs tors. theta energy: -80.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -950.464567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.464567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.464567 (E_RNA) where: Base-Base interactions energy: -651.445 where: short stacking energy: -267.565 Base-Backbone interact. energy: -0.453 local terms energy: -298.566797 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -56.902 flat angles C4'-P-C4' energy: -63.227 flat angles P-C4'-P energy: -33.526 tors. eta vs tors. theta energy: -82.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -749.760289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.760289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.760289 (E_RNA) where: Base-Base interactions energy: -470.660 where: short stacking energy: -233.856 Base-Backbone interact. energy: 0.243 local terms energy: -279.343469 where: bonds (distance) C4'-P energy: -52.798 bonds (distance) P-C4' energy: -62.537 flat angles C4'-P-C4' energy: -64.045 flat angles P-C4'-P energy: -32.554 tors. eta vs tors. theta energy: -67.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -652.222751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.222751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.222751 (E_RNA) where: Base-Base interactions energy: -398.312 where: short stacking energy: -179.230 Base-Backbone interact. energy: -1.529 local terms energy: -252.381575 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -63.992 flat angles C4'-P-C4' energy: -57.928 flat angles P-C4'-P energy: -33.762 tors. eta vs tors. theta energy: -37.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -520.926315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.926315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.926315 (E_RNA) where: Base-Base interactions energy: -289.693 where: short stacking energy: -153.185 Base-Backbone interact. energy: -0.452 local terms energy: -230.782260 where: bonds (distance) C4'-P energy: -59.539 bonds (distance) P-C4' energy: -58.656 flat angles C4'-P-C4' energy: -57.024 flat angles P-C4'-P energy: -29.246 tors. eta vs tors. theta energy: -26.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -485.255413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.255413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.255413 (E_RNA) where: Base-Base interactions energy: -280.289 where: short stacking energy: -132.028 Base-Backbone interact. energy: 0.804 local terms energy: -205.770108 where: bonds (distance) C4'-P energy: -54.340 bonds (distance) P-C4' energy: -53.177 flat angles C4'-P-C4' energy: -56.127 flat angles P-C4'-P energy: -27.168 tors. eta vs tors. theta energy: -14.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -525.011988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.011988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.011988 (E_RNA) where: Base-Base interactions energy: -312.475 where: short stacking energy: -142.500 Base-Backbone interact. energy: -0.358 local terms energy: -212.178683 where: bonds (distance) C4'-P energy: -55.351 bonds (distance) P-C4' energy: -49.992 flat angles C4'-P-C4' energy: -46.217 flat angles P-C4'-P energy: -30.704 tors. eta vs tors. theta energy: -29.914 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: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -311.110775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.110775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.110775 (E_RNA) where: Base-Base interactions energy: -159.908 where: short stacking energy: -86.279 Base-Backbone interact. energy: -0.876 local terms energy: -150.326625 where: bonds (distance) C4'-P energy: -48.561 bonds (distance) P-C4' energy: -46.294 flat angles C4'-P-C4' energy: -43.806 flat angles P-C4'-P energy: -19.232 tors. eta vs tors. theta energy: 7.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1067.828886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.828886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.828886 (E_RNA) where: Base-Base interactions energy: -711.240 where: short stacking energy: -316.120 Base-Backbone interact. energy: -1.100 local terms energy: -355.488601 where: bonds (distance) C4'-P energy: -61.013 bonds (distance) P-C4' energy: -62.591 flat angles C4'-P-C4' energy: -79.287 flat angles P-C4'-P energy: -54.506 tors. eta vs tors. theta energy: -98.091 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: 2, replica: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1016.747540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.747540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.747540 (E_RNA) where: Base-Base interactions energy: -663.614 where: short stacking energy: -279.899 Base-Backbone interact. energy: -1.532 local terms energy: -351.602248 where: bonds (distance) C4'-P energy: -64.622 bonds (distance) P-C4' energy: -65.916 flat angles C4'-P-C4' energy: -73.323 flat angles P-C4'-P energy: -53.581 tors. eta vs tors. theta energy: -94.160 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: 323 Temperature: 1.000000 Total energy: -1002.589538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.589538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.589538 (E_RNA) where: Base-Base interactions energy: -680.382 where: short stacking energy: -284.271 Base-Backbone interact. energy: -1.238 local terms energy: -320.969218 where: bonds (distance) C4'-P energy: -59.837 bonds (distance) P-C4' energy: -65.983 flat angles C4'-P-C4' energy: -62.339 flat angles P-C4'-P energy: -45.295 tors. eta vs tors. theta energy: -87.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -927.007479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.007479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.007479 (E_RNA) where: Base-Base interactions energy: -621.350 where: short stacking energy: -268.917 Base-Backbone interact. energy: -0.507 local terms energy: -305.149968 where: bonds (distance) C4'-P energy: -62.996 bonds (distance) P-C4' energy: -56.333 flat angles C4'-P-C4' energy: -70.317 flat angles P-C4'-P energy: -41.174 tors. eta vs tors. theta energy: -74.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -745.752834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.752834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.752834 (E_RNA) where: Base-Base interactions energy: -475.372 where: short stacking energy: -186.357 Base-Backbone interact. energy: 2.112 local terms energy: -272.492895 where: bonds (distance) C4'-P energy: -53.146 bonds (distance) P-C4' energy: -59.885 flat angles C4'-P-C4' energy: -60.197 flat angles P-C4'-P energy: -45.043 tors. eta vs tors. theta energy: -54.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -675.548331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.548331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.548331 (E_RNA) where: Base-Base interactions energy: -415.787 where: short stacking energy: -196.523 Base-Backbone interact. energy: 2.607 local terms energy: -262.368534 where: bonds (distance) C4'-P energy: -61.045 bonds (distance) P-C4' energy: -58.498 flat angles C4'-P-C4' energy: -67.521 flat angles P-C4'-P energy: -34.380 tors. eta vs tors. theta energy: -40.925 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: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -526.437639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.437639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.437639 (E_RNA) where: Base-Base interactions energy: -285.008 where: short stacking energy: -152.453 Base-Backbone interact. energy: 2.503 local terms energy: -243.933157 where: bonds (distance) C4'-P energy: -53.950 bonds (distance) P-C4' energy: -58.162 flat angles C4'-P-C4' energy: -66.543 flat angles P-C4'-P energy: -30.402 tors. eta vs tors. theta energy: -34.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -528.102453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.102453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.102453 (E_RNA) where: Base-Base interactions energy: -287.409 where: short stacking energy: -139.869 Base-Backbone interact. energy: 2.304 local terms energy: -242.996864 where: bonds (distance) C4'-P energy: -62.768 bonds (distance) P-C4' energy: -54.315 flat angles C4'-P-C4' energy: -63.027 flat angles P-C4'-P energy: -34.566 tors. eta vs tors. theta energy: -28.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -450.978671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.978671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.978671 (E_RNA) where: Base-Base interactions energy: -243.234 where: short stacking energy: -117.677 Base-Backbone interact. energy: -0.703 local terms energy: -207.042037 where: bonds (distance) C4'-P energy: -51.695 bonds (distance) P-C4' energy: -66.196 flat angles C4'-P-C4' energy: -40.473 flat angles P-C4'-P energy: -33.620 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -254.848615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.848615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.848615 (E_RNA) where: Base-Base interactions energy: -76.056 where: short stacking energy: -58.636 Base-Backbone interact. energy: 9.341 local terms energy: -188.133119 where: bonds (distance) C4'-P energy: -43.578 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -48.979 flat angles P-C4'-P energy: -37.623 tors. eta vs tors. theta energy: 4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1052.496817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.496817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.496817 (E_RNA) where: Base-Base interactions energy: -710.634 where: short stacking energy: -307.419 Base-Backbone interact. energy: -0.479 local terms energy: -341.383421 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -76.192 flat angles P-C4'-P energy: -49.911 tors. eta vs tors. theta energy: -97.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1022.711609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.711609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.711609 (E_RNA) where: Base-Base interactions energy: -705.120 where: short stacking energy: -298.587 Base-Backbone interact. energy: -0.697 local terms energy: -316.894546 where: bonds (distance) C4'-P energy: -51.797 bonds (distance) P-C4' energy: -58.049 flat angles C4'-P-C4' energy: -64.436 flat angles P-C4'-P energy: -47.529 tors. eta vs tors. theta energy: -95.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -996.060273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.060273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.060273 (E_RNA) where: Base-Base interactions energy: -686.130 where: short stacking energy: -258.478 Base-Backbone interact. energy: 0.648 local terms energy: -310.578257 where: bonds (distance) C4'-P energy: -57.805 bonds (distance) P-C4' energy: -63.796 flat angles C4'-P-C4' energy: -66.497 flat angles P-C4'-P energy: -41.875 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: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -944.405985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.405985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.405985 (E_RNA) where: Base-Base interactions energy: -645.436 where: short stacking energy: -264.849 Base-Backbone interact. energy: -1.280 local terms energy: -297.690054 where: bonds (distance) C4'-P energy: -55.116 bonds (distance) P-C4' energy: -59.500 flat angles C4'-P-C4' energy: -56.316 flat angles P-C4'-P energy: -43.791 tors. eta vs tors. theta energy: -82.966 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: 324 Temperature: 1.100000 Total energy: -762.375760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.375760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.375760 (E_RNA) where: Base-Base interactions energy: -497.364 where: short stacking energy: -233.718 Base-Backbone interact. energy: -1.100 local terms energy: -263.912077 where: bonds (distance) C4'-P energy: -49.007 bonds (distance) P-C4' energy: -47.746 flat angles C4'-P-C4' energy: -61.944 flat angles P-C4'-P energy: -46.087 tors. eta vs tors. theta energy: -59.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -716.562837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.562837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.562837 (E_RNA) where: Base-Base interactions energy: -462.600 where: short stacking energy: -199.661 Base-Backbone interact. energy: -1.110 local terms energy: -252.853609 where: bonds (distance) C4'-P energy: -50.303 bonds (distance) P-C4' energy: -52.023 flat angles C4'-P-C4' energy: -63.584 flat angles P-C4'-P energy: -39.895 tors. eta vs tors. theta energy: -47.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -536.701998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.701998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.701998 (E_RNA) where: Base-Base interactions energy: -306.181 where: short stacking energy: -150.389 Base-Backbone interact. energy: -1.375 local terms energy: -229.145920 where: bonds (distance) C4'-P energy: -54.995 bonds (distance) P-C4' energy: -51.974 flat angles C4'-P-C4' energy: -59.472 flat angles P-C4'-P energy: -30.228 tors. eta vs tors. theta energy: -32.478 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: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -520.827775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.827775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.827775 (E_RNA) where: Base-Base interactions energy: -301.685 where: short stacking energy: -163.041 Base-Backbone interact. energy: -1.108 local terms energy: -218.034291 where: bonds (distance) C4'-P energy: -45.028 bonds (distance) P-C4' energy: -51.739 flat angles C4'-P-C4' energy: -49.067 flat angles P-C4'-P energy: -36.228 tors. eta vs tors. theta energy: -35.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -445.359910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.359910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.359910 (E_RNA) where: Base-Base interactions energy: -226.143 where: short stacking energy: -129.466 Base-Backbone interact. energy: 0.146 local terms energy: -219.362546 where: bonds (distance) C4'-P energy: -49.167 bonds (distance) P-C4' energy: -56.833 flat angles C4'-P-C4' energy: -61.199 flat angles P-C4'-P energy: -38.495 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -261.926986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.926986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.926986 (E_RNA) where: Base-Base interactions energy: -88.610 where: short stacking energy: -73.017 Base-Backbone interact. energy: 0.083 local terms energy: -173.399913 where: bonds (distance) C4'-P energy: -54.201 bonds (distance) P-C4' energy: -54.518 flat angles C4'-P-C4' energy: -38.161 flat angles P-C4'-P energy: -24.678 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1065.167239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.167239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.167239 (E_RNA) where: Base-Base interactions energy: -719.972 where: short stacking energy: -308.421 Base-Backbone interact. energy: -0.210 local terms energy: -344.985511 where: bonds (distance) C4'-P energy: -62.974 bonds (distance) P-C4' energy: -61.593 flat angles C4'-P-C4' energy: -75.830 flat angles P-C4'-P energy: -54.020 tors. eta vs tors. theta energy: -90.568 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: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1035.139787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.139787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.139787 (E_RNA) where: Base-Base interactions energy: -686.778 where: short stacking energy: -284.594 Base-Backbone interact. energy: -0.755 local terms energy: -347.606920 where: bonds (distance) C4'-P energy: -52.367 bonds (distance) P-C4' energy: -67.691 flat angles C4'-P-C4' energy: -78.691 flat angles P-C4'-P energy: -51.425 tors. eta vs tors. theta energy: -97.432 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: 325 Temperature: 1.000000 Total energy: -993.530346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.530346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.530346 (E_RNA) where: Base-Base interactions energy: -666.344 where: short stacking energy: -263.759 Base-Backbone interact. energy: -1.890 local terms energy: -325.296235 where: bonds (distance) C4'-P energy: -57.766 bonds (distance) P-C4' energy: -64.319 flat angles C4'-P-C4' energy: -72.287 flat angles P-C4'-P energy: -42.343 tors. eta vs tors. theta energy: -88.581 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: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -944.784878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.784878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.784878 (E_RNA) where: Base-Base interactions energy: -628.944 where: short stacking energy: -244.548 Base-Backbone interact. energy: -2.018 local terms energy: -313.823386 where: bonds (distance) C4'-P energy: -61.368 bonds (distance) P-C4' energy: -66.753 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -39.246 tors. eta vs tors. theta energy: -74.906 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: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -771.652009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.652009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.652009 (E_RNA) where: Base-Base interactions energy: -504.898 where: short stacking energy: -217.794 Base-Backbone interact. energy: -1.267 local terms energy: -265.486837 where: bonds (distance) C4'-P energy: -53.428 bonds (distance) P-C4' energy: -53.332 flat angles C4'-P-C4' energy: -56.229 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: -67.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -711.938017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.938017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.938017 (E_RNA) where: Base-Base interactions energy: -464.352 where: short stacking energy: -201.221 Base-Backbone interact. energy: 0.553 local terms energy: -248.139067 where: bonds (distance) C4'-P energy: -53.138 bonds (distance) P-C4' energy: -58.072 flat angles C4'-P-C4' energy: -63.128 flat angles P-C4'-P energy: -30.103 tors. eta vs tors. theta energy: -43.698 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: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -516.646618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.646618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.646618 (E_RNA) where: Base-Base interactions energy: -282.473 where: short stacking energy: -148.960 Base-Backbone interact. energy: 0.929 local terms energy: -235.102122 where: bonds (distance) C4'-P energy: -57.772 bonds (distance) P-C4' energy: -55.336 flat angles C4'-P-C4' energy: -56.965 flat angles P-C4'-P energy: -34.260 tors. eta vs tors. theta energy: -30.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -477.239655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.239655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.239655 (E_RNA) where: Base-Base interactions energy: -255.056 where: short stacking energy: -136.029 Base-Backbone interact. energy: -0.822 local terms energy: -221.361236 where: bonds (distance) C4'-P energy: -51.990 bonds (distance) P-C4' energy: -57.730 flat angles C4'-P-C4' energy: -59.756 flat angles P-C4'-P energy: -33.401 tors. eta vs tors. theta energy: -18.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -496.891215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.891215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.891215 (E_RNA) where: Base-Base interactions energy: -298.278 where: short stacking energy: -143.700 Base-Backbone interact. energy: 0.423 local terms energy: -199.035792 where: bonds (distance) C4'-P energy: -40.355 bonds (distance) P-C4' energy: -62.350 flat angles C4'-P-C4' energy: -44.565 flat angles P-C4'-P energy: -31.741 tors. eta vs tors. theta energy: -20.024 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: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -253.753702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.753702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.753702 (E_RNA) where: Base-Base interactions energy: -79.991 where: short stacking energy: -75.613 Base-Backbone interact. energy: 2.339 local terms energy: -176.101883 where: bonds (distance) C4'-P energy: -45.278 bonds (distance) P-C4' energy: -57.729 flat angles C4'-P-C4' energy: -42.929 flat angles P-C4'-P energy: -31.553 tors. eta vs tors. theta energy: 1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1045.075007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.075007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.075007 (E_RNA) where: Base-Base interactions energy: -697.017 where: short stacking energy: -302.905 Base-Backbone interact. energy: -1.921 local terms energy: -346.136903 where: bonds (distance) C4'-P energy: -70.469 bonds (distance) P-C4' energy: -66.148 flat angles C4'-P-C4' energy: -63.301 flat angles P-C4'-P energy: -47.638 tors. eta vs tors. theta energy: -98.581 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: 326 Temperature: 0.950000 Total energy: -1032.830861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.830861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.830861 (E_RNA) where: Base-Base interactions energy: -692.767 where: short stacking energy: -302.145 Base-Backbone interact. energy: -0.287 local terms energy: -339.776555 where: bonds (distance) C4'-P energy: -51.893 bonds (distance) P-C4' energy: -61.081 flat angles C4'-P-C4' energy: -71.769 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: -98.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -983.001942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.001942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.001942 (E_RNA) where: Base-Base interactions energy: -671.693 where: short stacking energy: -274.177 Base-Backbone interact. energy: -0.415 local terms energy: -310.893826 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -51.182 flat angles C4'-P-C4' energy: -69.564 flat angles P-C4'-P energy: -44.064 tors. eta vs tors. theta energy: -82.421 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: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -958.719651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.719651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.719651 (E_RNA) where: Base-Base interactions energy: -650.134 where: short stacking energy: -286.650 Base-Backbone interact. energy: -0.988 local terms energy: -307.597582 where: bonds (distance) C4'-P energy: -53.697 bonds (distance) P-C4' energy: -55.001 flat angles C4'-P-C4' energy: -58.303 flat angles P-C4'-P energy: -48.754 tors. eta vs tors. theta energy: -91.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -759.017231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.017231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.017231 (E_RNA) where: Base-Base interactions energy: -491.793 where: short stacking energy: -224.108 Base-Backbone interact. energy: 0.047 local terms energy: -267.271225 where: bonds (distance) C4'-P energy: -56.823 bonds (distance) P-C4' energy: -56.305 flat angles C4'-P-C4' energy: -53.107 flat angles P-C4'-P energy: -46.766 tors. eta vs tors. theta energy: -54.270 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: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -778.517814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.517814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.517814 (E_RNA) where: Base-Base interactions energy: -504.051 where: short stacking energy: -227.700 Base-Backbone interact. energy: 1.113 local terms energy: -275.580313 where: bonds (distance) C4'-P energy: -53.477 bonds (distance) P-C4' energy: -49.195 flat angles C4'-P-C4' energy: -72.499 flat angles P-C4'-P energy: -38.599 tors. eta vs tors. theta energy: -61.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -577.368473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.368473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.368473 (E_RNA) where: Base-Base interactions energy: -334.996 where: short stacking energy: -128.866 Base-Backbone interact. energy: -1.806 local terms energy: -240.566390 where: bonds (distance) C4'-P energy: -50.746 bonds (distance) P-C4' energy: -67.825 flat angles C4'-P-C4' energy: -58.403 flat angles P-C4'-P energy: -43.651 tors. eta vs tors. theta energy: -19.942 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: 8, replica: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -464.458359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.458359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.458359 (E_RNA) where: Base-Base interactions energy: -263.888 where: short stacking energy: -154.145 Base-Backbone interact. energy: -1.508 local terms energy: -199.062967 where: bonds (distance) C4'-P energy: -43.768 bonds (distance) P-C4' energy: -44.940 flat angles C4'-P-C4' energy: -58.995 flat angles P-C4'-P energy: -22.888 tors. eta vs tors. theta energy: -28.472 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: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -468.740076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.740076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.740076 (E_RNA) where: Base-Base interactions energy: -236.942 where: short stacking energy: -118.287 Base-Backbone interact. energy: -1.489 local terms energy: -230.308574 where: bonds (distance) C4'-P energy: -60.075 bonds (distance) P-C4' energy: -64.260 flat angles C4'-P-C4' energy: -55.308 flat angles P-C4'-P energy: -26.907 tors. eta vs tors. theta energy: -23.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -252.588297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.588297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.588297 (E_RNA) where: Base-Base interactions energy: -78.575 where: short stacking energy: -46.878 Base-Backbone interact. energy: -1.527 local terms energy: -172.486074 where: bonds (distance) C4'-P energy: -52.509 bonds (distance) P-C4' energy: -55.231 flat angles C4'-P-C4' energy: -50.105 flat angles P-C4'-P energy: -23.848 tors. eta vs tors. theta energy: 9.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1055.573224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.573224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.573224 (E_RNA) where: Base-Base interactions energy: -702.008 where: short stacking energy: -299.824 Base-Backbone interact. energy: 0.209 local terms energy: -353.774720 where: bonds (distance) C4'-P energy: -63.840 bonds (distance) P-C4' energy: -65.585 flat angles C4'-P-C4' energy: -71.682 flat angles P-C4'-P energy: -58.079 tors. eta vs tors. theta energy: -94.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1014.301753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.301753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.301753 (E_RNA) where: Base-Base interactions energy: -676.414 where: short stacking energy: -267.760 Base-Backbone interact. energy: 1.778 local terms energy: -339.665106 where: bonds (distance) C4'-P energy: -62.841 bonds (distance) P-C4' energy: -65.366 flat angles C4'-P-C4' energy: -74.337 flat angles P-C4'-P energy: -50.976 tors. eta vs tors. theta energy: -86.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -991.714920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.714920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.714920 (E_RNA) where: Base-Base interactions energy: -660.659 where: short stacking energy: -296.190 Base-Backbone interact. energy: -0.344 local terms energy: -330.711965 where: bonds (distance) C4'-P energy: -60.271 bonds (distance) P-C4' energy: -51.948 flat angles C4'-P-C4' energy: -71.785 flat angles P-C4'-P energy: -52.972 tors. eta vs tors. theta energy: -93.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -911.094000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.094000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.094000 (E_RNA) where: Base-Base interactions energy: -597.277 where: short stacking energy: -271.647 Base-Backbone interact. energy: -0.158 local terms energy: -313.658762 where: bonds (distance) C4'-P energy: -55.833 bonds (distance) P-C4' energy: -65.043 flat angles C4'-P-C4' energy: -65.245 flat angles P-C4'-P energy: -40.534 tors. eta vs tors. theta energy: -87.004 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: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -815.305789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.305789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.305789 (E_RNA) where: Base-Base interactions energy: -530.699 where: short stacking energy: -240.752 Base-Backbone interact. energy: 3.994 local terms energy: -288.600428 where: bonds (distance) C4'-P energy: -59.964 bonds (distance) P-C4' energy: -63.073 flat angles C4'-P-C4' energy: -58.238 flat angles P-C4'-P energy: -43.333 tors. eta vs tors. theta energy: -63.993 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: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -750.545898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.545898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.545898 (E_RNA) where: Base-Base interactions energy: -482.842 where: short stacking energy: -207.450 Base-Backbone interact. energy: -1.179 local terms energy: -266.524587 where: bonds (distance) C4'-P energy: -48.853 bonds (distance) P-C4' energy: -49.439 flat angles C4'-P-C4' energy: -73.012 flat angles P-C4'-P energy: -39.481 tors. eta vs tors. theta energy: -55.740 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: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -565.911204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.911204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.911204 (E_RNA) where: Base-Base interactions energy: -342.911 where: short stacking energy: -162.169 Base-Backbone interact. energy: -0.982 local terms energy: -222.018273 where: bonds (distance) C4'-P energy: -50.095 bonds (distance) P-C4' energy: -56.185 flat angles C4'-P-C4' energy: -49.552 flat angles P-C4'-P energy: -28.146 tors. eta vs tors. theta energy: -38.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -548.265105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.265105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.265105 (E_RNA) where: Base-Base interactions energy: -338.504 where: short stacking energy: -160.353 Base-Backbone interact. energy: 4.749 local terms energy: -214.510050 where: bonds (distance) C4'-P energy: -49.574 bonds (distance) P-C4' energy: -61.477 flat angles C4'-P-C4' energy: -55.057 flat angles P-C4'-P energy: -20.002 tors. eta vs tors. theta energy: -28.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -443.818551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.818551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.818551 (E_RNA) where: Base-Base interactions energy: -233.929 where: short stacking energy: -112.924 Base-Backbone interact. energy: -2.000 local terms energy: -207.889850 where: bonds (distance) C4'-P energy: -54.231 bonds (distance) P-C4' energy: -63.635 flat angles C4'-P-C4' energy: -38.694 flat angles P-C4'-P energy: -41.104 tors. eta vs tors. theta energy: -10.226 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: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -259.329230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.329230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.329230 (E_RNA) where: Base-Base interactions energy: -83.418 where: short stacking energy: -65.904 Base-Backbone interact. energy: -1.460 local terms energy: -174.450768 where: bonds (distance) C4'-P energy: -61.092 bonds (distance) P-C4' energy: -53.458 flat angles C4'-P-C4' energy: -39.519 flat angles P-C4'-P energy: -27.197 tors. eta vs tors. theta energy: 6.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1043.839733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.839733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.839733 (E_RNA) where: Base-Base interactions energy: -701.444 where: short stacking energy: -278.959 Base-Backbone interact. energy: -1.357 local terms energy: -341.039268 where: bonds (distance) C4'-P energy: -66.300 bonds (distance) P-C4' energy: -65.523 flat angles C4'-P-C4' energy: -73.603 flat angles P-C4'-P energy: -44.079 tors. eta vs tors. theta energy: -91.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -990.880543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.880543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.880543 (E_RNA) where: Base-Base interactions energy: -657.551 where: short stacking energy: -278.217 Base-Backbone interact. energy: -3.485 local terms energy: -329.844353 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -70.887 flat angles P-C4'-P energy: -50.812 tors. eta vs tors. theta energy: -88.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -952.577517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.577517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.577517 (E_RNA) where: Base-Base interactions energy: -635.384 where: short stacking energy: -259.572 Base-Backbone interact. energy: -0.768 local terms energy: -316.425757 where: bonds (distance) C4'-P energy: -53.333 bonds (distance) P-C4' energy: -66.754 flat angles C4'-P-C4' energy: -69.278 flat angles P-C4'-P energy: -45.499 tors. eta vs tors. theta energy: -81.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -964.856161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.856161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.856161 (E_RNA) where: Base-Base interactions energy: -639.552 where: short stacking energy: -272.905 Base-Backbone interact. energy: -0.363 local terms energy: -324.941683 where: bonds (distance) C4'-P energy: -55.730 bonds (distance) P-C4' energy: -68.760 flat angles C4'-P-C4' energy: -70.064 flat angles P-C4'-P energy: -39.854 tors. eta vs tors. theta energy: -90.534 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: 5, replica: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -823.242737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.242737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.242737 (E_RNA) where: Base-Base interactions energy: -560.866 where: short stacking energy: -253.167 Base-Backbone interact. energy: -0.979 local terms energy: -261.398316 where: bonds (distance) C4'-P energy: -44.940 bonds (distance) P-C4' energy: -58.729 flat angles C4'-P-C4' energy: -59.518 flat angles P-C4'-P energy: -31.979 tors. eta vs tors. theta energy: -66.234 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: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -739.229043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.229043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.229043 (E_RNA) where: Base-Base interactions energy: -456.302 where: short stacking energy: -202.718 Base-Backbone interact. energy: 0.032 local terms energy: -282.959341 where: bonds (distance) C4'-P energy: -61.527 bonds (distance) P-C4' energy: -56.071 flat angles C4'-P-C4' energy: -64.623 flat angles P-C4'-P energy: -36.661 tors. eta vs tors. theta energy: -64.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -569.145128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.145128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.145128 (E_RNA) where: Base-Base interactions energy: -318.932 where: short stacking energy: -147.635 Base-Backbone interact. energy: 0.982 local terms energy: -251.194923 where: bonds (distance) C4'-P energy: -49.140 bonds (distance) P-C4' energy: -67.312 flat angles C4'-P-C4' energy: -59.824 flat angles P-C4'-P energy: -39.057 tors. eta vs tors. theta energy: -35.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -543.449130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.449130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.449130 (E_RNA) where: Base-Base interactions energy: -337.833 where: short stacking energy: -164.226 Base-Backbone interact. energy: -1.398 local terms energy: -204.218087 where: bonds (distance) C4'-P energy: -52.983 bonds (distance) P-C4' energy: -56.359 flat angles C4'-P-C4' energy: -44.179 flat angles P-C4'-P energy: -26.802 tors. eta vs tors. theta energy: -23.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -401.896164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.896164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.896164 (E_RNA) where: Base-Base interactions energy: -202.082 where: short stacking energy: -129.182 Base-Backbone interact. energy: -0.879 local terms energy: -198.935336 where: bonds (distance) C4'-P energy: -55.550 bonds (distance) P-C4' energy: -57.052 flat angles C4'-P-C4' energy: -55.753 flat angles P-C4'-P energy: -25.084 tors. eta vs tors. theta energy: -5.496 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: 10, replica: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -251.873097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.873097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.873097 (E_RNA) where: Base-Base interactions energy: -74.759 where: short stacking energy: -67.011 Base-Backbone interact. energy: -0.880 local terms energy: -176.234067 where: bonds (distance) C4'-P energy: -48.350 bonds (distance) P-C4' energy: -53.165 flat angles C4'-P-C4' energy: -53.659 flat angles P-C4'-P energy: -31.624 tors. eta vs tors. theta energy: 10.565 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: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1050.476145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.476145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.476145 (E_RNA) where: Base-Base interactions energy: -713.734 where: short stacking energy: -298.371 Base-Backbone interact. energy: 0.194 local terms energy: -336.935894 where: bonds (distance) C4'-P energy: -65.548 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -62.646 flat angles P-C4'-P energy: -49.621 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: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1010.625667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.625667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.625667 (E_RNA) where: Base-Base interactions energy: -685.262 where: short stacking energy: -289.104 Base-Backbone interact. energy: 3.170 local terms energy: -328.533378 where: bonds (distance) C4'-P energy: -60.584 bonds (distance) P-C4' energy: -59.102 flat angles C4'-P-C4' energy: -72.084 flat angles P-C4'-P energy: -47.783 tors. eta vs tors. theta energy: -88.980 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: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -951.446427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.446427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.446427 (E_RNA) where: Base-Base interactions energy: -633.249 where: short stacking energy: -258.516 Base-Backbone interact. energy: -0.956 local terms energy: -317.241265 where: bonds (distance) C4'-P energy: -63.536 bonds (distance) P-C4' energy: -65.363 flat angles C4'-P-C4' energy: -68.840 flat angles P-C4'-P energy: -40.880 tors. eta vs tors. theta energy: -78.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -973.788187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.788187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.788187 (E_RNA) where: Base-Base interactions energy: -655.105 where: short stacking energy: -296.388 Base-Backbone interact. energy: -0.375 local terms energy: -318.308164 where: bonds (distance) C4'-P energy: -57.732 bonds (distance) P-C4' energy: -63.020 flat angles C4'-P-C4' energy: -66.617 flat angles P-C4'-P energy: -41.624 tors. eta vs tors. theta energy: -89.316 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: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -799.726826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.726826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.726826 (E_RNA) where: Base-Base interactions energy: -544.786 where: short stacking energy: -230.485 Base-Backbone interact. energy: -1.739 local terms energy: -253.201129 where: bonds (distance) C4'-P energy: -52.205 bonds (distance) P-C4' energy: -44.556 flat angles C4'-P-C4' energy: -65.368 flat angles P-C4'-P energy: -32.212 tors. eta vs tors. theta energy: -58.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -761.661276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.661276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.661276 (E_RNA) where: Base-Base interactions energy: -487.050 where: short stacking energy: -220.702 Base-Backbone interact. energy: -1.090 local terms energy: -273.520667 where: bonds (distance) C4'-P energy: -51.352 bonds (distance) P-C4' energy: -59.465 flat angles C4'-P-C4' energy: -57.040 flat angles P-C4'-P energy: -40.958 tors. eta vs tors. theta energy: -64.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -498.448918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.448918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.448918 (E_RNA) where: Base-Base interactions energy: -268.407 where: short stacking energy: -134.725 Base-Backbone interact. energy: -1.261 local terms energy: -228.781259 where: bonds (distance) C4'-P energy: -46.730 bonds (distance) P-C4' energy: -72.448 flat angles C4'-P-C4' energy: -50.801 flat angles P-C4'-P energy: -44.497 tors. eta vs tors. theta energy: -14.306 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: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -421.350218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.350218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.350218 (E_RNA) where: Base-Base interactions energy: -227.320 where: short stacking energy: -127.629 Base-Backbone interact. energy: 1.787 local terms energy: -195.817625 where: bonds (distance) C4'-P energy: -47.209 bonds (distance) P-C4' energy: -52.364 flat angles C4'-P-C4' energy: -54.064 flat angles P-C4'-P energy: -24.712 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: 9, replica: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -457.366864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.366864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.366864 (E_RNA) where: Base-Base interactions energy: -268.470 where: short stacking energy: -137.067 Base-Backbone interact. energy: 2.057 local terms energy: -190.953818 where: bonds (distance) C4'-P energy: -38.293 bonds (distance) P-C4' energy: -51.984 flat angles C4'-P-C4' energy: -44.896 flat angles P-C4'-P energy: -34.909 tors. eta vs tors. theta energy: -20.872 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: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -259.007148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.007148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.007148 (E_RNA) where: Base-Base interactions energy: -95.506 where: short stacking energy: -81.487 Base-Backbone interact. energy: 0.353 local terms energy: -163.854209 where: bonds (distance) C4'-P energy: -48.375 bonds (distance) P-C4' energy: -53.491 flat angles C4'-P-C4' energy: -46.836 flat angles P-C4'-P energy: -26.314 tors. eta vs tors. theta energy: 11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1044.450821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.450821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.450821 (E_RNA) where: Base-Base interactions energy: -713.621 where: short stacking energy: -312.981 Base-Backbone interact. energy: -0.510 local terms energy: -330.319445 where: bonds (distance) C4'-P energy: -56.444 bonds (distance) P-C4' energy: -66.235 flat angles C4'-P-C4' energy: -71.277 flat angles P-C4'-P energy: -47.894 tors. eta vs tors. theta energy: -88.470 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: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -993.822754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.822754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.822754 (E_RNA) where: Base-Base interactions energy: -677.557 where: short stacking energy: -297.952 Base-Backbone interact. energy: 0.333 local terms energy: -316.598137 where: bonds (distance) C4'-P energy: -60.662 bonds (distance) P-C4' energy: -58.277 flat angles C4'-P-C4' energy: -68.281 flat angles P-C4'-P energy: -40.846 tors. eta vs tors. theta energy: -88.532 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: 7 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -967.438952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.438952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.438952 (E_RNA) where: Base-Base interactions energy: -650.838 where: short stacking energy: -274.256 Base-Backbone interact. energy: -0.695 local terms energy: -315.906305 where: bonds (distance) C4'-P energy: -71.595 bonds (distance) P-C4' energy: -54.072 flat angles C4'-P-C4' energy: -63.520 flat angles P-C4'-P energy: -43.456 tors. eta vs tors. theta energy: -83.262 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: 4, replica: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -938.288280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.288280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.288280 (E_RNA) where: Base-Base interactions energy: -630.396 where: short stacking energy: -258.808 Base-Backbone interact. energy: -0.239 local terms energy: -307.653919 where: bonds (distance) C4'-P energy: -50.108 bonds (distance) P-C4' energy: -53.138 flat angles C4'-P-C4' energy: -63.056 flat angles P-C4'-P energy: -55.048 tors. eta vs tors. theta energy: -86.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -805.719343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.719343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.719343 (E_RNA) where: Base-Base interactions energy: -522.156 where: short stacking energy: -243.816 Base-Backbone interact. energy: -0.517 local terms energy: -283.046244 where: bonds (distance) C4'-P energy: -59.320 bonds (distance) P-C4' energy: -54.707 flat angles C4'-P-C4' energy: -63.432 flat angles P-C4'-P energy: -37.221 tors. eta vs tors. theta energy: -68.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -743.290319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.290319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.290319 (E_RNA) where: Base-Base interactions energy: -484.237 where: short stacking energy: -210.995 Base-Backbone interact. energy: 1.849 local terms energy: -260.902081 where: bonds (distance) C4'-P energy: -52.393 bonds (distance) P-C4' energy: -50.556 flat angles C4'-P-C4' energy: -63.567 flat angles P-C4'-P energy: -32.092 tors. eta vs tors. theta energy: -62.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -542.759954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.759954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.759954 (E_RNA) where: Base-Base interactions energy: -305.349 where: short stacking energy: -171.859 Base-Backbone interact. energy: 4.479 local terms energy: -241.889436 where: bonds (distance) C4'-P energy: -60.494 bonds (distance) P-C4' energy: -60.124 flat angles C4'-P-C4' energy: -57.930 flat angles P-C4'-P energy: -36.112 tors. eta vs tors. theta energy: -27.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -438.568452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.568452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.568452 (E_RNA) where: Base-Base interactions energy: -204.725 where: short stacking energy: -113.725 Base-Backbone interact. energy: -0.404 local terms energy: -233.439225 where: bonds (distance) C4'-P energy: -63.694 bonds (distance) P-C4' energy: -60.400 flat angles C4'-P-C4' energy: -55.665 flat angles P-C4'-P energy: -34.038 tors. eta vs tors. theta energy: -19.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -452.530761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.530761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.530761 (E_RNA) where: Base-Base interactions energy: -241.580 where: short stacking energy: -120.107 Base-Backbone interact. energy: -1.634 local terms energy: -209.317087 where: bonds (distance) C4'-P energy: -41.152 bonds (distance) P-C4' energy: -69.372 flat angles C4'-P-C4' energy: -48.282 flat angles P-C4'-P energy: -35.887 tors. eta vs tors. theta energy: -14.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -259.499767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.499767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.499767 (E_RNA) where: Base-Base interactions energy: -90.735 where: short stacking energy: -66.467 Base-Backbone interact. energy: 1.557 local terms energy: -170.321526 where: bonds (distance) C4'-P energy: -59.412 bonds (distance) P-C4' energy: -63.223 flat angles C4'-P-C4' energy: -37.932 flat angles P-C4'-P energy: -30.113 tors. eta vs tors. theta energy: 20.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1043.524123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.524123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.524123 (E_RNA) where: Base-Base interactions energy: -706.940 where: short stacking energy: -307.181 Base-Backbone interact. energy: -0.696 local terms energy: -335.888929 where: bonds (distance) C4'-P energy: -61.056 bonds (distance) P-C4' energy: -60.743 flat angles C4'-P-C4' energy: -68.169 flat angles P-C4'-P energy: -47.434 tors. eta vs tors. theta energy: -98.488 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: 7 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1012.857132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.857132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.857132 (E_RNA) where: Base-Base interactions energy: -678.906 where: short stacking energy: -283.781 Base-Backbone interact. energy: -0.666 local terms energy: -333.285004 where: bonds (distance) C4'-P energy: -55.443 bonds (distance) P-C4' energy: -72.606 flat angles C4'-P-C4' energy: -63.474 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: -91.662 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: 3, replica: 8 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -987.538755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.538755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.538755 (E_RNA) where: Base-Base interactions energy: -677.958 where: short stacking energy: -279.472 Base-Backbone interact. energy: -1.566 local terms energy: -308.015232 where: bonds (distance) C4'-P energy: -59.906 bonds (distance) P-C4' energy: -56.680 flat angles C4'-P-C4' energy: -65.117 flat angles P-C4'-P energy: -44.487 tors. eta vs tors. theta energy: -81.826 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: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -938.508140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.508140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.508140 (E_RNA) where: Base-Base interactions energy: -627.894 where: short stacking energy: -264.793 Base-Backbone interact. energy: -1.697 local terms energy: -308.916987 where: bonds (distance) C4'-P energy: -59.008 bonds (distance) P-C4' energy: -64.699 flat angles C4'-P-C4' energy: -67.554 flat angles P-C4'-P energy: -40.760 tors. eta vs tors. theta energy: -76.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -853.464114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.464114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.464114 (E_RNA) where: Base-Base interactions energy: -556.091 where: short stacking energy: -233.426 Base-Backbone interact. energy: -2.883 local terms energy: -294.490576 where: bonds (distance) C4'-P energy: -57.750 bonds (distance) P-C4' energy: -61.465 flat angles C4'-P-C4' energy: -59.003 flat angles P-C4'-P energy: -41.798 tors. eta vs tors. theta energy: -74.474 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: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -746.183202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.183202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.183202 (E_RNA) where: Base-Base interactions energy: -498.272 where: short stacking energy: -221.316 Base-Backbone interact. energy: -0.898 local terms energy: -247.013403 where: bonds (distance) C4'-P energy: -64.009 bonds (distance) P-C4' energy: -36.891 flat angles C4'-P-C4' energy: -56.995 flat angles P-C4'-P energy: -36.891 tors. eta vs tors. theta energy: -52.227 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: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -560.183163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.183163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.183163 (E_RNA) where: Base-Base interactions energy: -338.102 where: short stacking energy: -149.667 Base-Backbone interact. energy: -2.304 local terms energy: -219.777414 where: bonds (distance) C4'-P energy: -51.852 bonds (distance) P-C4' energy: -61.835 flat angles C4'-P-C4' energy: -51.138 flat angles P-C4'-P energy: -33.245 tors. eta vs tors. theta energy: -21.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -485.869183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.869183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.869183 (E_RNA) where: Base-Base interactions energy: -258.205 where: short stacking energy: -141.443 Base-Backbone interact. energy: 2.263 local terms energy: -229.927219 where: bonds (distance) C4'-P energy: -67.371 bonds (distance) P-C4' energy: -57.039 flat angles C4'-P-C4' energy: -57.931 flat angles P-C4'-P energy: -24.842 tors. eta vs tors. theta energy: -22.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -423.186942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.186942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.186942 (E_RNA) where: Base-Base interactions energy: -221.386 where: short stacking energy: -100.287 Base-Backbone interact. energy: -1.405 local terms energy: -200.396500 where: bonds (distance) C4'-P energy: -52.736 bonds (distance) P-C4' energy: -60.028 flat angles C4'-P-C4' energy: -50.767 flat angles P-C4'-P energy: -21.801 tors. eta vs tors. theta energy: -15.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -250.685982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.685982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.685982 (E_RNA) where: Base-Base interactions energy: -77.064 where: short stacking energy: -63.511 Base-Backbone interact. energy: 0.172 local terms energy: -173.793615 where: bonds (distance) C4'-P energy: -53.696 bonds (distance) P-C4' energy: -42.539 flat angles C4'-P-C4' energy: -45.794 flat angles P-C4'-P energy: -34.292 tors. eta vs tors. theta energy: 2.528 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: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1064.572744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.572744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.572744 (E_RNA) where: Base-Base interactions energy: -705.887 where: short stacking energy: -318.840 Base-Backbone interact. energy: -1.592 local terms energy: -357.093879 where: bonds (distance) C4'-P energy: -60.561 bonds (distance) P-C4' energy: -65.498 flat angles C4'-P-C4' energy: -75.168 flat angles P-C4'-P energy: -54.545 tors. eta vs tors. theta energy: -101.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1029.170230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.170230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.170230 (E_RNA) where: Base-Base interactions energy: -687.255 where: short stacking energy: -308.150 Base-Backbone interact. energy: -1.533 local terms energy: -340.382702 where: bonds (distance) C4'-P energy: -55.879 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -75.833 flat angles P-C4'-P energy: -48.543 tors. eta vs tors. theta energy: -97.684 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: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -974.617576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.617576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.617576 (E_RNA) where: Base-Base interactions energy: -667.023 where: short stacking energy: -278.226 Base-Backbone interact. energy: -0.123 local terms energy: -307.472023 where: bonds (distance) C4'-P energy: -57.672 bonds (distance) P-C4' energy: -61.391 flat angles C4'-P-C4' energy: -58.271 flat angles P-C4'-P energy: -45.998 tors. eta vs tors. theta energy: -84.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -923.609613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.609613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.609613 (E_RNA) where: Base-Base interactions energy: -620.625 where: short stacking energy: -270.976 Base-Backbone interact. energy: -0.840 local terms energy: -302.145279 where: bonds (distance) C4'-P energy: -48.915 bonds (distance) P-C4' energy: -66.914 flat angles C4'-P-C4' energy: -66.337 flat angles P-C4'-P energy: -44.525 tors. eta vs tors. theta energy: -75.454 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: 1 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -847.792329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.792329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.792329 (E_RNA) where: Base-Base interactions energy: -551.182 where: short stacking energy: -237.968 Base-Backbone interact. energy: -0.861 local terms energy: -295.749268 where: bonds (distance) C4'-P energy: -56.174 bonds (distance) P-C4' energy: -61.648 flat angles C4'-P-C4' energy: -64.193 flat angles P-C4'-P energy: -41.484 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: 6, replica: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -729.344051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.344051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.344051 (E_RNA) where: Base-Base interactions energy: -480.562 where: short stacking energy: -195.841 Base-Backbone interact. energy: -0.216 local terms energy: -248.566569 where: bonds (distance) C4'-P energy: -59.515 bonds (distance) P-C4' energy: -42.586 flat angles C4'-P-C4' energy: -51.530 flat angles P-C4'-P energy: -43.024 tors. eta vs tors. theta energy: -51.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -552.821797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.821797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.821797 (E_RNA) where: Base-Base interactions energy: -324.131 where: short stacking energy: -171.210 Base-Backbone interact. energy: -2.925 local terms energy: -225.766140 where: bonds (distance) C4'-P energy: -43.091 bonds (distance) P-C4' energy: -57.431 flat angles C4'-P-C4' energy: -56.796 flat angles P-C4'-P energy: -25.942 tors. eta vs tors. theta energy: -42.506 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: 8, replica: 6 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -487.730356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.730356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.730356 (E_RNA) where: Base-Base interactions energy: -278.633 where: short stacking energy: -128.337 Base-Backbone interact. energy: -2.229 local terms energy: -206.868070 where: bonds (distance) C4'-P energy: -53.202 bonds (distance) P-C4' energy: -57.092 flat angles C4'-P-C4' energy: -52.710 flat angles P-C4'-P energy: -27.418 tors. eta vs tors. theta energy: -16.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -433.653690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.653690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.653690 (E_RNA) where: Base-Base interactions energy: -226.823 where: short stacking energy: -128.524 Base-Backbone interact. energy: -1.061 local terms energy: -205.769504 where: bonds (distance) C4'-P energy: -51.352 bonds (distance) P-C4' energy: -41.760 flat angles C4'-P-C4' energy: -59.104 flat angles P-C4'-P energy: -31.938 tors. eta vs tors. theta energy: -21.616 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: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -282.725557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.725557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.725557 (E_RNA) where: Base-Base interactions energy: -98.743 where: short stacking energy: -69.870 Base-Backbone interact. energy: 1.623 local terms energy: -185.605717 where: bonds (distance) C4'-P energy: -57.551 bonds (distance) P-C4' energy: -59.732 flat angles C4'-P-C4' energy: -47.527 flat angles P-C4'-P energy: -24.261 tors. eta vs tors. theta energy: 3.464 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: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1044.948011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.948011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.948011 (E_RNA) where: Base-Base interactions energy: -708.404 where: short stacking energy: -321.702 Base-Backbone interact. energy: 0.711 local terms energy: -337.254819 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -72.278 flat angles C4'-P-C4' energy: -69.983 flat angles P-C4'-P energy: -44.964 tors. eta vs tors. theta energy: -96.830 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: 7 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1023.295388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.295388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.295388 (E_RNA) where: Base-Base interactions energy: -681.565 where: short stacking energy: -317.650 Base-Backbone interact. energy: -0.254 local terms energy: -341.475894 where: bonds (distance) C4'-P energy: -69.975 bonds (distance) P-C4' energy: -55.412 flat angles C4'-P-C4' energy: -62.703 flat angles P-C4'-P energy: -50.992 tors. eta vs tors. theta energy: -102.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -983.246832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.246832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.246832 (E_RNA) where: Base-Base interactions energy: -666.540 where: short stacking energy: -292.130 Base-Backbone interact. energy: -0.444 local terms energy: -316.263234 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -72.449 flat angles P-C4'-P energy: -41.514 tors. eta vs tors. theta energy: -85.495 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: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -921.194448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.194448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.194448 (E_RNA) where: Base-Base interactions energy: -629.192 where: short stacking energy: -260.492 Base-Backbone interact. energy: -0.798 local terms energy: -291.204721 where: bonds (distance) C4'-P energy: -47.597 bonds (distance) P-C4' energy: -55.120 flat angles C4'-P-C4' energy: -70.811 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: -76.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -822.036629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.036629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.036629 (E_RNA) where: Base-Base interactions energy: -532.964 where: short stacking energy: -221.622 Base-Backbone interact. energy: 0.934 local terms energy: -290.006718 where: bonds (distance) C4'-P energy: -56.959 bonds (distance) P-C4' energy: -67.006 flat angles C4'-P-C4' energy: -62.448 flat angles P-C4'-P energy: -36.302 tors. eta vs tors. theta energy: -67.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -784.719733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.719733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.719733 (E_RNA) where: Base-Base interactions energy: -504.970 where: short stacking energy: -240.715 Base-Backbone interact. energy: 1.440 local terms energy: -281.189819 where: bonds (distance) C4'-P energy: -50.776 bonds (distance) P-C4' energy: -53.729 flat angles C4'-P-C4' energy: -60.816 flat angles P-C4'-P energy: -46.067 tors. eta vs tors. theta energy: -69.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -525.073188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.073188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.073188 (E_RNA) where: Base-Base interactions energy: -291.412 where: short stacking energy: -142.864 Base-Backbone interact. energy: -0.533 local terms energy: -233.128375 where: bonds (distance) C4'-P energy: -54.817 bonds (distance) P-C4' energy: -67.654 flat angles C4'-P-C4' energy: -54.722 flat angles P-C4'-P energy: -31.204 tors. eta vs tors. theta energy: -24.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -473.523482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.523482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.523482 (E_RNA) where: Base-Base interactions energy: -260.398 where: short stacking energy: -150.405 Base-Backbone interact. energy: -0.870 local terms energy: -212.256076 where: bonds (distance) C4'-P energy: -51.620 bonds (distance) P-C4' energy: -53.317 flat angles C4'-P-C4' energy: -64.055 flat angles P-C4'-P energy: -34.025 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -436.092858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.092858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.092858 (E_RNA) where: Base-Base interactions energy: -233.897 where: short stacking energy: -112.441 Base-Backbone interact. energy: -0.724 local terms energy: -201.472697 where: bonds (distance) C4'-P energy: -48.645 bonds (distance) P-C4' energy: -62.042 flat angles C4'-P-C4' energy: -52.219 flat angles P-C4'-P energy: -32.138 tors. eta vs tors. theta energy: -6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -267.985960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.985960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.985960 (E_RNA) where: Base-Base interactions energy: -89.684 where: short stacking energy: -77.359 Base-Backbone interact. energy: 0.592 local terms energy: -178.893481 where: bonds (distance) C4'-P energy: -58.821 bonds (distance) P-C4' energy: -48.924 flat angles C4'-P-C4' energy: -44.100 flat angles P-C4'-P energy: -29.298 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: 1, replica: 5 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1031.115870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.115870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.115870 (E_RNA) where: Base-Base interactions energy: -686.967 where: short stacking energy: -305.709 Base-Backbone interact. energy: 1.420 local terms energy: -345.569131 where: bonds (distance) C4'-P energy: -74.577 bonds (distance) P-C4' energy: -62.329 flat angles C4'-P-C4' energy: -67.915 flat angles P-C4'-P energy: -47.856 tors. eta vs tors. theta energy: -92.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1030.358245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.358245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.358245 (E_RNA) where: Base-Base interactions energy: -683.380 where: short stacking energy: -299.645 Base-Backbone interact. energy: 0.114 local terms energy: -347.092120 where: bonds (distance) C4'-P energy: -66.254 bonds (distance) P-C4' energy: -63.420 flat angles C4'-P-C4' energy: -74.558 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -94.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -965.815907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.815907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.815907 (E_RNA) where: Base-Base interactions energy: -656.351 where: short stacking energy: -282.003 Base-Backbone interact. energy: -3.213 local terms energy: -306.251857 where: bonds (distance) C4'-P energy: -53.667 bonds (distance) P-C4' energy: -66.611 flat angles C4'-P-C4' energy: -66.693 flat angles P-C4'-P energy: -41.776 tors. eta vs tors. theta energy: -77.506 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: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -932.365196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.365196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.365196 (E_RNA) where: Base-Base interactions energy: -637.129 where: short stacking energy: -249.019 Base-Backbone interact. energy: -1.312 local terms energy: -293.924196 where: bonds (distance) C4'-P energy: -54.626 bonds (distance) P-C4' energy: -55.173 flat angles C4'-P-C4' energy: -69.704 flat angles P-C4'-P energy: -40.065 tors. eta vs tors. theta energy: -74.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -796.434025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.434025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.434025 (E_RNA) where: Base-Base interactions energy: -506.731 where: short stacking energy: -217.161 Base-Backbone interact. energy: -1.057 local terms energy: -288.646597 where: bonds (distance) C4'-P energy: -54.999 bonds (distance) P-C4' energy: -62.281 flat angles C4'-P-C4' energy: -66.409 flat angles P-C4'-P energy: -42.175 tors. eta vs tors. theta energy: -62.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -824.063551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.063551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.063551 (E_RNA) where: Base-Base interactions energy: -537.860 where: short stacking energy: -228.738 Base-Backbone interact. energy: -1.261 local terms energy: -284.942306 where: bonds (distance) C4'-P energy: -44.347 bonds (distance) P-C4' energy: -65.534 flat angles C4'-P-C4' energy: -68.455 flat angles P-C4'-P energy: -39.473 tors. eta vs tors. theta energy: -67.132 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: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -548.127873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.127873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.127873 (E_RNA) where: Base-Base interactions energy: -329.190 where: short stacking energy: -163.110 Base-Backbone interact. energy: -1.531 local terms energy: -217.407271 where: bonds (distance) C4'-P energy: -53.250 bonds (distance) P-C4' energy: -33.775 flat angles C4'-P-C4' energy: -64.564 flat angles P-C4'-P energy: -35.858 tors. eta vs tors. theta energy: -29.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -475.110292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.110292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.110292 (E_RNA) where: Base-Base interactions energy: -240.980 where: short stacking energy: -108.041 Base-Backbone interact. energy: 1.649 local terms energy: -235.779253 where: bonds (distance) C4'-P energy: -60.377 bonds (distance) P-C4' energy: -57.378 flat angles C4'-P-C4' energy: -55.411 flat angles P-C4'-P energy: -38.145 tors. eta vs tors. theta energy: -24.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -345.277211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.277211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.277211 (E_RNA) where: Base-Base interactions energy: -170.296 where: short stacking energy: -103.560 Base-Backbone interact. energy: 1.065 local terms energy: -176.045949 where: bonds (distance) C4'-P energy: -57.997 bonds (distance) P-C4' energy: -29.568 flat angles C4'-P-C4' energy: -50.134 flat angles P-C4'-P energy: -29.283 tors. eta vs tors. theta energy: -9.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -269.548730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.548730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.548730 (E_RNA) where: Base-Base interactions energy: -90.570 where: short stacking energy: -70.398 Base-Backbone interact. energy: -1.934 local terms energy: -177.044251 where: bonds (distance) C4'-P energy: -41.284 bonds (distance) P-C4' energy: -58.167 flat angles C4'-P-C4' energy: -42.626 flat angles P-C4'-P energy: -40.402 tors. eta vs tors. theta energy: 5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1039.643274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.643274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.643274 (E_RNA) where: Base-Base interactions energy: -678.417 where: short stacking energy: -317.991 Base-Backbone interact. energy: -2.203 local terms energy: -359.023202 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -67.850 flat angles C4'-P-C4' energy: -78.502 flat angles P-C4'-P energy: -47.485 tors. eta vs tors. theta energy: -102.316 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: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1055.332613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.332613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.332613 (E_RNA) where: Base-Base interactions energy: -712.819 where: short stacking energy: -317.629 Base-Backbone interact. energy: -0.253 local terms energy: -342.261388 where: bonds (distance) C4'-P energy: -61.411 bonds (distance) P-C4' energy: -61.266 flat angles C4'-P-C4' energy: -73.884 flat angles P-C4'-P energy: -44.636 tors. eta vs tors. theta energy: -101.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -951.162396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.162396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.162396 (E_RNA) where: Base-Base interactions energy: -647.676 where: short stacking energy: -270.239 Base-Backbone interact. energy: -0.670 local terms energy: -302.816711 where: bonds (distance) C4'-P energy: -52.318 bonds (distance) P-C4' energy: -59.989 flat angles C4'-P-C4' energy: -78.439 flat angles P-C4'-P energy: -37.615 tors. eta vs tors. theta energy: -74.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -952.369348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.369348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.369348 (E_RNA) where: Base-Base interactions energy: -650.442 where: short stacking energy: -272.169 Base-Backbone interact. energy: -0.567 local terms energy: -301.360074 where: bonds (distance) C4'-P energy: -56.464 bonds (distance) P-C4' energy: -62.840 flat angles C4'-P-C4' energy: -59.742 flat angles P-C4'-P energy: -42.469 tors. eta vs tors. theta energy: -79.845 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: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -795.178012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.178012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.178012 (E_RNA) where: Base-Base interactions energy: -515.983 where: short stacking energy: -223.126 Base-Backbone interact. energy: 4.277 local terms energy: -283.472498 where: bonds (distance) C4'-P energy: -51.481 bonds (distance) P-C4' energy: -53.499 flat angles C4'-P-C4' energy: -71.755 flat angles P-C4'-P energy: -41.745 tors. eta vs tors. theta energy: -64.993 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: 1 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -820.161709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.161709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.161709 (E_RNA) where: Base-Base interactions energy: -553.474 where: short stacking energy: -222.654 Base-Backbone interact. energy: -0.474 local terms energy: -266.214149 where: bonds (distance) C4'-P energy: -54.718 bonds (distance) P-C4' energy: -65.020 flat angles C4'-P-C4' energy: -55.947 flat angles P-C4'-P energy: -38.930 tors. eta vs tors. theta energy: -51.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -545.429440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.429440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.429440 (E_RNA) where: Base-Base interactions energy: -313.098 where: short stacking energy: -147.067 Base-Backbone interact. energy: -1.204 local terms energy: -231.127344 where: bonds (distance) C4'-P energy: -59.518 bonds (distance) P-C4' energy: -53.278 flat angles C4'-P-C4' energy: -57.619 flat angles P-C4'-P energy: -37.939 tors. eta vs tors. theta energy: -22.773 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: 6 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -491.691748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.691748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.691748 (E_RNA) where: Base-Base interactions energy: -274.037 where: short stacking energy: -130.911 Base-Backbone interact. energy: 0.167 local terms energy: -217.820885 where: bonds (distance) C4'-P energy: -62.015 bonds (distance) P-C4' energy: -51.130 flat angles C4'-P-C4' energy: -46.066 flat angles P-C4'-P energy: -30.947 tors. eta vs tors. theta energy: -27.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -332.121434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.121434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.121434 (E_RNA) where: Base-Base interactions energy: -152.114 where: short stacking energy: -84.012 Base-Backbone interact. energy: -1.048 local terms energy: -178.960330 where: bonds (distance) C4'-P energy: -47.069 bonds (distance) P-C4' energy: -60.604 flat angles C4'-P-C4' energy: -57.837 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -5.967 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: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -253.717130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.717130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.717130 (E_RNA) where: Base-Base interactions energy: -63.040 where: short stacking energy: -51.982 Base-Backbone interact. energy: -2.014 local terms energy: -188.663197 where: bonds (distance) C4'-P energy: -64.822 bonds (distance) P-C4' energy: -55.174 flat angles C4'-P-C4' energy: -45.797 flat angles P-C4'-P energy: -28.098 tors. eta vs tors. theta energy: 5.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1060.724914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.724914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.724914 (E_RNA) where: Base-Base interactions energy: -701.511 where: short stacking energy: -310.919 Base-Backbone interact. energy: -1.088 local terms energy: -358.126587 where: bonds (distance) C4'-P energy: -69.742 bonds (distance) P-C4' energy: -65.006 flat angles C4'-P-C4' energy: -71.579 flat angles P-C4'-P energy: -54.885 tors. eta vs tors. theta energy: -96.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1026.001716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.001716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.001716 (E_RNA) where: Base-Base interactions energy: -685.860 where: short stacking energy: -308.785 Base-Backbone interact. energy: -1.828 local terms energy: -338.313377 where: bonds (distance) C4'-P energy: -56.519 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -71.745 flat angles P-C4'-P energy: -46.264 tors. eta vs tors. theta energy: -101.476 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: 336 Temperature: 1.000000 Total energy: -1003.265085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.265085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.265085 (E_RNA) where: Base-Base interactions energy: -698.320 where: short stacking energy: -267.378 Base-Backbone interact. energy: 0.051 local terms energy: -304.996342 where: bonds (distance) C4'-P energy: -61.688 bonds (distance) P-C4' energy: -61.609 flat angles C4'-P-C4' energy: -60.631 flat angles P-C4'-P energy: -42.436 tors. eta vs tors. theta energy: -78.631 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: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -931.633329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.633329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.633329 (E_RNA) where: Base-Base interactions energy: -642.610 where: short stacking energy: -257.032 Base-Backbone interact. energy: 1.025 local terms energy: -290.048451 where: bonds (distance) C4'-P energy: -55.360 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -54.152 flat angles P-C4'-P energy: -41.030 tors. eta vs tors. theta energy: -75.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -847.954435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.954435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.954435 (E_RNA) where: Base-Base interactions energy: -571.730 where: short stacking energy: -259.931 Base-Backbone interact. energy: -0.810 local terms energy: -275.413854 where: bonds (distance) C4'-P energy: -54.985 bonds (distance) P-C4' energy: -58.711 flat angles C4'-P-C4' energy: -57.736 flat angles P-C4'-P energy: -32.337 tors. eta vs tors. theta energy: -71.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -791.441303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.441303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.441303 (E_RNA) where: Base-Base interactions energy: -502.531 where: short stacking energy: -224.076 Base-Backbone interact. energy: -1.151 local terms energy: -287.759439 where: bonds (distance) C4'-P energy: -57.609 bonds (distance) P-C4' energy: -60.133 flat angles C4'-P-C4' energy: -61.969 flat angles P-C4'-P energy: -42.184 tors. eta vs tors. theta energy: -65.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -583.971850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.971850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.971850 (E_RNA) where: Base-Base interactions energy: -346.570 where: short stacking energy: -160.965 Base-Backbone interact. energy: -0.845 local terms energy: -236.557382 where: bonds (distance) C4'-P energy: -62.954 bonds (distance) P-C4' energy: -53.173 flat angles C4'-P-C4' energy: -52.758 flat angles P-C4'-P energy: -36.410 tors. eta vs tors. theta energy: -31.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -486.635793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.635793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.635793 (E_RNA) where: Base-Base interactions energy: -262.101 where: short stacking energy: -148.383 Base-Backbone interact. energy: 1.151 local terms energy: -225.685904 where: bonds (distance) C4'-P energy: -58.080 bonds (distance) P-C4' energy: -53.399 flat angles C4'-P-C4' energy: -47.512 flat angles P-C4'-P energy: -37.159 tors. eta vs tors. theta energy: -29.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -339.897936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.897936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.897936 (E_RNA) where: Base-Base interactions energy: -155.608 where: short stacking energy: -82.207 Base-Backbone interact. energy: 3.081 local terms energy: -187.370962 where: bonds (distance) C4'-P energy: -62.254 bonds (distance) P-C4' energy: -44.453 flat angles C4'-P-C4' energy: -57.266 flat angles P-C4'-P energy: -29.177 tors. eta vs tors. theta energy: 5.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -268.263560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.263560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.263560 (E_RNA) where: Base-Base interactions energy: -110.661 where: short stacking energy: -86.567 Base-Backbone interact. energy: -0.322 local terms energy: -157.280767 where: bonds (distance) C4'-P energy: -39.523 bonds (distance) P-C4' energy: -57.798 flat angles C4'-P-C4' energy: -35.760 flat angles P-C4'-P energy: -23.161 tors. eta vs tors. theta energy: -1.039 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: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1051.990386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.990386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.990386 (E_RNA) where: Base-Base interactions energy: -701.923 where: short stacking energy: -304.322 Base-Backbone interact. energy: -0.643 local terms energy: -349.424120 where: bonds (distance) C4'-P energy: -62.738 bonds (distance) P-C4' energy: -69.191 flat angles C4'-P-C4' energy: -77.381 flat angles P-C4'-P energy: -51.018 tors. eta vs tors. theta energy: -89.097 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: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1031.026334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.026334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.026334 (E_RNA) where: Base-Base interactions energy: -702.221 where: short stacking energy: -288.569 Base-Backbone interact. energy: -0.592 local terms energy: -328.213468 where: bonds (distance) C4'-P energy: -62.477 bonds (distance) P-C4' energy: -62.037 flat angles C4'-P-C4' energy: -66.060 flat angles P-C4'-P energy: -49.421 tors. eta vs tors. theta energy: -88.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -983.755457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.755457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.755457 (E_RNA) where: Base-Base interactions energy: -669.828 where: short stacking energy: -275.094 Base-Backbone interact. energy: 0.205 local terms energy: -314.132426 where: bonds (distance) C4'-P energy: -58.514 bonds (distance) P-C4' energy: -61.682 flat angles C4'-P-C4' energy: -66.694 flat angles P-C4'-P energy: -41.994 tors. eta vs tors. theta energy: -85.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -925.337284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.337284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.337284 (E_RNA) where: Base-Base interactions energy: -637.356 where: short stacking energy: -246.582 Base-Backbone interact. energy: -3.136 local terms energy: -284.845250 where: bonds (distance) C4'-P energy: -54.154 bonds (distance) P-C4' energy: -56.859 flat angles C4'-P-C4' energy: -63.400 flat angles P-C4'-P energy: -35.860 tors. eta vs tors. theta energy: -74.572 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: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -868.946896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.946896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.946896 (E_RNA) where: Base-Base interactions energy: -569.696 where: short stacking energy: -243.175 Base-Backbone interact. energy: 5.797 local terms energy: -305.047794 where: bonds (distance) C4'-P energy: -64.175 bonds (distance) P-C4' energy: -53.546 flat angles C4'-P-C4' energy: -63.874 flat angles P-C4'-P energy: -45.336 tors. eta vs tors. theta energy: -78.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -765.823343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.823343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.823343 (E_RNA) where: Base-Base interactions energy: -498.035 where: short stacking energy: -238.549 Base-Backbone interact. energy: -0.729 local terms energy: -267.059212 where: bonds (distance) C4'-P energy: -52.128 bonds (distance) P-C4' energy: -57.879 flat angles C4'-P-C4' energy: -60.164 flat angles P-C4'-P energy: -34.134 tors. eta vs tors. theta energy: -62.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -605.586359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.586359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.586359 (E_RNA) where: Base-Base interactions energy: -364.370 where: short stacking energy: -178.717 Base-Backbone interact. energy: -0.642 local terms energy: -240.574735 where: bonds (distance) C4'-P energy: -54.634 bonds (distance) P-C4' energy: -50.504 flat angles C4'-P-C4' energy: -52.829 flat angles P-C4'-P energy: -42.466 tors. eta vs tors. theta energy: -40.143 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: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -467.194830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.194830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.194830 (E_RNA) where: Base-Base interactions energy: -260.843 where: short stacking energy: -150.152 Base-Backbone interact. energy: -1.513 local terms energy: -204.839686 where: bonds (distance) C4'-P energy: -34.797 bonds (distance) P-C4' energy: -59.877 flat angles C4'-P-C4' energy: -57.803 flat angles P-C4'-P energy: -32.464 tors. eta vs tors. theta energy: -19.898 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: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -353.759595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.759595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.759595 (E_RNA) where: Base-Base interactions energy: -174.565 where: short stacking energy: -117.418 Base-Backbone interact. energy: -1.160 local terms energy: -178.034449 where: bonds (distance) C4'-P energy: -43.503 bonds (distance) P-C4' energy: -46.241 flat angles C4'-P-C4' energy: -47.846 flat angles P-C4'-P energy: -34.929 tors. eta vs tors. theta energy: -5.515 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: 3 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -260.975640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.975640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.975640 (E_RNA) where: Base-Base interactions energy: -85.199 where: short stacking energy: -67.415 Base-Backbone interact. energy: -0.455 local terms energy: -175.322171 where: bonds (distance) C4'-P energy: -48.290 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -47.247 flat angles P-C4'-P energy: -26.286 tors. eta vs tors. theta energy: 10.017 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: 1, replica: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1058.521764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.521764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.521764 (E_RNA) where: Base-Base interactions energy: -722.135 where: short stacking energy: -308.358 Base-Backbone interact. energy: -1.116 local terms energy: -335.270132 where: bonds (distance) C4'-P energy: -59.892 bonds (distance) P-C4' energy: -65.985 flat angles C4'-P-C4' energy: -68.792 flat angles P-C4'-P energy: -48.842 tors. eta vs tors. theta energy: -91.760 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: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1018.388393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.388393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.388393 (E_RNA) where: Base-Base interactions energy: -689.044 where: short stacking energy: -299.521 Base-Backbone interact. energy: -1.142 local terms energy: -328.202316 where: bonds (distance) C4'-P energy: -55.760 bonds (distance) P-C4' energy: -56.114 flat angles C4'-P-C4' energy: -69.197 flat angles P-C4'-P energy: -49.727 tors. eta vs tors. theta energy: -97.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -983.539633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.539633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.539633 (E_RNA) where: Base-Base interactions energy: -681.416 where: short stacking energy: -259.418 Base-Backbone interact. energy: -1.678 local terms energy: -300.445752 where: bonds (distance) C4'-P energy: -59.054 bonds (distance) P-C4' energy: -67.058 flat angles C4'-P-C4' energy: -58.822 flat angles P-C4'-P energy: -39.728 tors. eta vs tors. theta energy: -75.783 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: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -923.081401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.081401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.081401 (E_RNA) where: Base-Base interactions energy: -604.386 where: short stacking energy: -263.101 Base-Backbone interact. energy: 0.492 local terms energy: -319.187137 where: bonds (distance) C4'-P energy: -67.729 bonds (distance) P-C4' energy: -63.123 flat angles C4'-P-C4' energy: -69.287 flat angles P-C4'-P energy: -37.871 tors. eta vs tors. theta energy: -81.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -856.373257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.373257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.373257 (E_RNA) where: Base-Base interactions energy: -571.466 where: short stacking energy: -241.713 Base-Backbone interact. energy: 0.758 local terms energy: -285.665338 where: bonds (distance) C4'-P energy: -49.424 bonds (distance) P-C4' energy: -59.604 flat angles C4'-P-C4' energy: -64.728 flat angles P-C4'-P energy: -46.046 tors. eta vs tors. theta energy: -65.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -762.629329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.629329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.629329 (E_RNA) where: Base-Base interactions energy: -501.784 where: short stacking energy: -223.347 Base-Backbone interact. energy: -2.291 local terms energy: -258.554121 where: bonds (distance) C4'-P energy: -40.642 bonds (distance) P-C4' energy: -61.552 flat angles C4'-P-C4' energy: -62.968 flat angles P-C4'-P energy: -37.641 tors. eta vs tors. theta energy: -55.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -529.157826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.157826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.157826 (E_RNA) where: Base-Base interactions energy: -298.413 where: short stacking energy: -149.946 Base-Backbone interact. energy: -0.981 local terms energy: -229.763241 where: bonds (distance) C4'-P energy: -52.666 bonds (distance) P-C4' energy: -54.208 flat angles C4'-P-C4' energy: -50.452 flat angles P-C4'-P energy: -43.998 tors. eta vs tors. theta energy: -28.440 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: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -509.527570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.527570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.527570 (E_RNA) where: Base-Base interactions energy: -285.756 where: short stacking energy: -136.197 Base-Backbone interact. energy: -0.873 local terms energy: -222.898065 where: bonds (distance) C4'-P energy: -65.514 bonds (distance) P-C4' energy: -51.109 flat angles C4'-P-C4' energy: -63.373 flat angles P-C4'-P energy: -22.383 tors. eta vs tors. theta energy: -20.519 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: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -401.754262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.754262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.754262 (E_RNA) where: Base-Base interactions energy: -204.797 where: short stacking energy: -101.065 Base-Backbone interact. energy: -0.572 local terms energy: -196.384747 where: bonds (distance) C4'-P energy: -54.125 bonds (distance) P-C4' energy: -61.202 flat angles C4'-P-C4' energy: -45.234 flat angles P-C4'-P energy: -27.738 tors. eta vs tors. theta energy: -8.085 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: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -278.172001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.172001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.172001 (E_RNA) where: Base-Base interactions energy: -103.785 where: short stacking energy: -74.063 Base-Backbone interact. energy: -0.662 local terms energy: -173.724512 where: bonds (distance) C4'-P energy: -50.592 bonds (distance) P-C4' energy: -59.128 flat angles C4'-P-C4' energy: -46.572 flat angles P-C4'-P energy: -25.048 tors. eta vs tors. theta energy: 7.615 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: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1073.312412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.312412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.312412 (E_RNA) where: Base-Base interactions energy: -710.671 where: short stacking energy: -308.775 Base-Backbone interact. energy: -0.522 local terms energy: -362.119540 where: bonds (distance) C4'-P energy: -71.595 bonds (distance) P-C4' energy: -68.693 flat angles C4'-P-C4' energy: -72.931 flat angles P-C4'-P energy: -46.902 tors. eta vs tors. theta energy: -101.999 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: 2, replica: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1029.923989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.923989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.923989 (E_RNA) where: Base-Base interactions energy: -709.674 where: short stacking energy: -311.132 Base-Backbone interact. energy: -1.888 local terms energy: -318.362147 where: bonds (distance) C4'-P energy: -51.678 bonds (distance) P-C4' energy: -59.732 flat angles C4'-P-C4' energy: -71.093 flat angles P-C4'-P energy: -45.997 tors. eta vs tors. theta energy: -89.863 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: 339 Temperature: 1.000000 Total energy: -987.945759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.945759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.945759 (E_RNA) where: Base-Base interactions energy: -671.202 where: short stacking energy: -261.850 Base-Backbone interact. energy: -0.169 local terms energy: -316.574936 where: bonds (distance) C4'-P energy: -60.409 bonds (distance) P-C4' energy: -62.332 flat angles C4'-P-C4' energy: -72.982 flat angles P-C4'-P energy: -43.877 tors. eta vs tors. theta energy: -76.974 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: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -937.855080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.855080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.855080 (E_RNA) where: Base-Base interactions energy: -633.745 where: short stacking energy: -267.854 Base-Backbone interact. energy: -0.962 local terms energy: -303.148084 where: bonds (distance) C4'-P energy: -53.879 bonds (distance) P-C4' energy: -67.624 flat angles C4'-P-C4' energy: -65.580 flat angles P-C4'-P energy: -33.966 tors. eta vs tors. theta energy: -82.099 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: 1 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -820.156456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.156456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.156456 (E_RNA) where: Base-Base interactions energy: -529.964 where: short stacking energy: -224.971 Base-Backbone interact. energy: -0.783 local terms energy: -289.409360 where: bonds (distance) C4'-P energy: -60.287 bonds (distance) P-C4' energy: -64.858 flat angles C4'-P-C4' energy: -69.090 flat angles P-C4'-P energy: -35.357 tors. eta vs tors. theta energy: -59.818 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: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -765.533863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.533863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.533863 (E_RNA) where: Base-Base interactions energy: -499.227 where: short stacking energy: -242.158 Base-Backbone interact. energy: -1.771 local terms energy: -264.536198 where: bonds (distance) C4'-P energy: -60.197 bonds (distance) P-C4' energy: -57.864 flat angles C4'-P-C4' energy: -55.658 flat angles P-C4'-P energy: -27.689 tors. eta vs tors. theta energy: -63.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -520.900481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.900481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.900481 (E_RNA) where: Base-Base interactions energy: -297.523 where: short stacking energy: -151.197 Base-Backbone interact. energy: -0.046 local terms energy: -223.331140 where: bonds (distance) C4'-P energy: -41.343 bonds (distance) P-C4' energy: -60.886 flat angles C4'-P-C4' energy: -56.455 flat angles P-C4'-P energy: -31.841 tors. eta vs tors. theta energy: -32.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -489.600517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.600517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.600517 (E_RNA) where: Base-Base interactions energy: -272.593 where: short stacking energy: -127.071 Base-Backbone interact. energy: 4.025 local terms energy: -221.032582 where: bonds (distance) C4'-P energy: -50.416 bonds (distance) P-C4' energy: -55.109 flat angles C4'-P-C4' energy: -59.827 flat angles P-C4'-P energy: -30.860 tors. eta vs tors. theta energy: -24.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -355.993317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.993317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.993317 (E_RNA) where: Base-Base interactions energy: -174.763 where: short stacking energy: -88.669 Base-Backbone interact. energy: 6.104 local terms energy: -187.334416 where: bonds (distance) C4'-P energy: -61.868 bonds (distance) P-C4' energy: -63.739 flat angles C4'-P-C4' energy: -45.994 flat angles P-C4'-P energy: -22.287 tors. eta vs tors. theta energy: 6.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -293.543609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.543609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.543609 (E_RNA) where: Base-Base interactions energy: -127.206 where: short stacking energy: -95.817 Base-Backbone interact. energy: -1.026 local terms energy: -165.311894 where: bonds (distance) C4'-P energy: -48.267 bonds (distance) P-C4' energy: -54.946 flat angles C4'-P-C4' energy: -42.028 flat angles P-C4'-P energy: -27.593 tors. eta vs tors. theta energy: 7.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1049.871682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.871682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.871682 (E_RNA) where: Base-Base interactions energy: -692.187 where: short stacking energy: -311.165 Base-Backbone interact. energy: -1.259 local terms energy: -356.426163 where: bonds (distance) C4'-P energy: -66.402 bonds (distance) P-C4' energy: -66.171 flat angles C4'-P-C4' energy: -75.784 flat angles P-C4'-P energy: -47.942 tors. eta vs tors. theta energy: -100.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1033.664716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.664716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.664716 (E_RNA) where: Base-Base interactions energy: -718.720 where: short stacking energy: -325.288 Base-Backbone interact. energy: -0.537 local terms energy: -314.407266 where: bonds (distance) C4'-P energy: -58.828 bonds (distance) P-C4' energy: -49.982 flat angles C4'-P-C4' energy: -62.308 flat angles P-C4'-P energy: -44.768 tors. eta vs tors. theta energy: -98.522 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: 3, replica: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -966.058024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.058024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.058024 (E_RNA) where: Base-Base interactions energy: -660.274 where: short stacking energy: -280.834 Base-Backbone interact. energy: -0.971 local terms energy: -304.813067 where: bonds (distance) C4'-P energy: -57.852 bonds (distance) P-C4' energy: -63.498 flat angles C4'-P-C4' energy: -64.833 flat angles P-C4'-P energy: -38.129 tors. eta vs tors. theta energy: -80.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -961.878208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.878208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.878208 (E_RNA) where: Base-Base interactions energy: -646.173 where: short stacking energy: -248.728 Base-Backbone interact. energy: -1.627 local terms energy: -314.078874 where: bonds (distance) C4'-P energy: -66.534 bonds (distance) P-C4' energy: -61.486 flat angles C4'-P-C4' energy: -62.107 flat angles P-C4'-P energy: -46.197 tors. eta vs tors. theta energy: -77.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -805.251681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.251681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.251681 (E_RNA) where: Base-Base interactions energy: -542.076 where: short stacking energy: -225.432 Base-Backbone interact. energy: 0.242 local terms energy: -263.417030 where: bonds (distance) C4'-P energy: -48.321 bonds (distance) P-C4' energy: -51.759 flat angles C4'-P-C4' energy: -56.843 flat angles P-C4'-P energy: -38.423 tors. eta vs tors. theta energy: -68.071 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: 1 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -791.043791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.043791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.043791 (E_RNA) where: Base-Base interactions energy: -520.242 where: short stacking energy: -219.738 Base-Backbone interact. energy: -1.729 local terms energy: -269.072686 where: bonds (distance) C4'-P energy: -53.102 bonds (distance) P-C4' energy: -60.633 flat angles C4'-P-C4' energy: -61.515 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -66.273 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: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -547.676707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.676707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.676707 (E_RNA) where: Base-Base interactions energy: -308.485 where: short stacking energy: -164.556 Base-Backbone interact. energy: -1.877 local terms energy: -237.314133 where: bonds (distance) C4'-P energy: -72.266 bonds (distance) P-C4' energy: -46.874 flat angles C4'-P-C4' energy: -52.685 flat angles P-C4'-P energy: -35.406 tors. eta vs tors. theta energy: -30.082 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: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -488.689932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.689932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.689932 (E_RNA) where: Base-Base interactions energy: -270.838 where: short stacking energy: -144.022 Base-Backbone interact. energy: -1.603 local terms energy: -216.248130 where: bonds (distance) C4'-P energy: -60.626 bonds (distance) P-C4' energy: -53.227 flat angles C4'-P-C4' energy: -50.774 flat angles P-C4'-P energy: -32.845 tors. eta vs tors. theta energy: -18.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -304.983503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.983503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.983503 (E_RNA) where: Base-Base interactions energy: -117.107 where: short stacking energy: -74.898 Base-Backbone interact. energy: 1.791 local terms energy: -189.667725 where: bonds (distance) C4'-P energy: -43.005 bonds (distance) P-C4' energy: -56.687 flat angles C4'-P-C4' energy: -46.216 flat angles P-C4'-P energy: -40.826 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -323.003316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.003316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.003316 (E_RNA) where: Base-Base interactions energy: -145.082 where: short stacking energy: -71.461 Base-Backbone interact. energy: -1.981 local terms energy: -175.940240 where: bonds (distance) C4'-P energy: -53.746 bonds (distance) P-C4' energy: -51.331 flat angles C4'-P-C4' energy: -48.044 flat angles P-C4'-P energy: -28.105 tors. eta vs tors. theta energy: 5.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1080.207884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.207884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.207884 (E_RNA) where: Base-Base interactions energy: -733.862 where: short stacking energy: -331.014 Base-Backbone interact. energy: -1.706 local terms energy: -344.639445 where: bonds (distance) C4'-P energy: -62.115 bonds (distance) P-C4' energy: -60.906 flat angles C4'-P-C4' energy: -71.675 flat angles P-C4'-P energy: -47.929 tors. eta vs tors. theta energy: -102.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1039.110741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.110741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.110741 (E_RNA) where: Base-Base interactions energy: -696.926 where: short stacking energy: -304.353 Base-Backbone interact. energy: -1.855 local terms energy: -340.329607 where: bonds (distance) C4'-P energy: -57.700 bonds (distance) P-C4' energy: -57.586 flat angles C4'-P-C4' energy: -69.709 flat angles P-C4'-P energy: -50.599 tors. eta vs tors. theta energy: -104.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -958.692787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.692787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.692787 (E_RNA) where: Base-Base interactions energy: -633.836 where: short stacking energy: -272.365 Base-Backbone interact. energy: -1.382 local terms energy: -323.474457 where: bonds (distance) C4'-P energy: -63.969 bonds (distance) P-C4' energy: -54.988 flat angles C4'-P-C4' energy: -67.644 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -90.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -986.193946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.193946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.193946 (E_RNA) where: Base-Base interactions energy: -681.524 where: short stacking energy: -270.059 Base-Backbone interact. energy: -3.159 local terms energy: -301.510291 where: bonds (distance) C4'-P energy: -49.457 bonds (distance) P-C4' energy: -65.244 flat angles C4'-P-C4' energy: -66.861 flat angles P-C4'-P energy: -47.935 tors. eta vs tors. theta energy: -72.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -843.285902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.285902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.285902 (E_RNA) where: Base-Base interactions energy: -553.955 where: short stacking energy: -238.010 Base-Backbone interact. energy: -1.918 local terms energy: -287.413171 where: bonds (distance) C4'-P energy: -46.891 bonds (distance) P-C4' energy: -66.568 flat angles C4'-P-C4' energy: -67.327 flat angles P-C4'-P energy: -42.101 tors. eta vs tors. theta energy: -64.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -814.735165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.735165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.735165 (E_RNA) where: Base-Base interactions energy: -522.330 where: short stacking energy: -222.841 Base-Backbone interact. energy: 0.856 local terms energy: -293.261610 where: bonds (distance) C4'-P energy: -64.266 bonds (distance) P-C4' energy: -56.974 flat angles C4'-P-C4' energy: -55.717 flat angles P-C4'-P energy: -45.576 tors. eta vs tors. theta energy: -70.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -533.956413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.956413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.956413 (E_RNA) where: Base-Base interactions energy: -308.388 where: short stacking energy: -171.478 Base-Backbone interact. energy: 0.785 local terms energy: -226.353311 where: bonds (distance) C4'-P energy: -47.820 bonds (distance) P-C4' energy: -52.590 flat angles C4'-P-C4' energy: -56.921 flat angles P-C4'-P energy: -27.623 tors. eta vs tors. theta energy: -41.398 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: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -474.887046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.887046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.887046 (E_RNA) where: Base-Base interactions energy: -271.568 where: short stacking energy: -152.858 Base-Backbone interact. energy: -1.044 local terms energy: -202.275101 where: bonds (distance) C4'-P energy: -58.685 bonds (distance) P-C4' energy: -51.982 flat angles C4'-P-C4' energy: -43.891 flat angles P-C4'-P energy: -17.764 tors. eta vs tors. theta energy: -29.953 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: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -279.159415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.159415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.159415 (E_RNA) where: Base-Base interactions energy: -101.705 where: short stacking energy: -83.785 Base-Backbone interact. energy: -0.463 local terms energy: -176.991813 where: bonds (distance) C4'-P energy: -59.354 bonds (distance) P-C4' energy: -46.314 flat angles C4'-P-C4' energy: -45.381 flat angles P-C4'-P energy: -27.204 tors. eta vs tors. theta energy: 1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -323.264120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.264120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.264120 (E_RNA) where: Base-Base interactions energy: -159.649 where: short stacking energy: -85.694 Base-Backbone interact. energy: -0.252 local terms energy: -163.363331 where: bonds (distance) C4'-P energy: -56.657 bonds (distance) P-C4' energy: -63.762 flat angles C4'-P-C4' energy: -34.146 flat angles P-C4'-P energy: -15.798 tors. eta vs tors. theta energy: 7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1063.299003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.299003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.299003 (E_RNA) where: Base-Base interactions energy: -729.531 where: short stacking energy: -316.660 Base-Backbone interact. energy: -0.314 local terms energy: -333.454063 where: bonds (distance) C4'-P energy: -55.690 bonds (distance) P-C4' energy: -52.303 flat angles C4'-P-C4' energy: -74.630 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -99.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1046.258986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.258986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.258986 (E_RNA) where: Base-Base interactions energy: -697.864 where: short stacking energy: -293.519 Base-Backbone interact. energy: -2.440 local terms energy: -345.955904 where: bonds (distance) C4'-P energy: -61.616 bonds (distance) P-C4' energy: -71.396 flat angles C4'-P-C4' energy: -69.977 flat angles P-C4'-P energy: -49.179 tors. eta vs tors. theta energy: -93.789 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: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -960.030113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.030113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.030113 (E_RNA) where: Base-Base interactions energy: -653.004 where: short stacking energy: -262.330 Base-Backbone interact. energy: -2.807 local terms energy: -304.218242 where: bonds (distance) C4'-P energy: -60.871 bonds (distance) P-C4' energy: -59.636 flat angles C4'-P-C4' energy: -62.600 flat angles P-C4'-P energy: -46.718 tors. eta vs tors. theta energy: -74.393 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: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -942.628199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.628199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.628199 (E_RNA) where: Base-Base interactions energy: -646.938 where: short stacking energy: -267.139 Base-Backbone interact. energy: -0.546 local terms energy: -295.144602 where: bonds (distance) C4'-P energy: -55.416 bonds (distance) P-C4' energy: -54.290 flat angles C4'-P-C4' energy: -57.630 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: -88.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -850.873931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.873931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.873931 (E_RNA) where: Base-Base interactions energy: -548.519 where: short stacking energy: -251.522 Base-Backbone interact. energy: -0.869 local terms energy: -301.485233 where: bonds (distance) C4'-P energy: -63.258 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -66.451 flat angles P-C4'-P energy: -43.023 tors. eta vs tors. theta energy: -63.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -787.221534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.221534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.221534 (E_RNA) where: Base-Base interactions energy: -517.499 where: short stacking energy: -214.378 Base-Backbone interact. energy: -2.491 local terms energy: -267.230817 where: bonds (distance) C4'-P energy: -57.402 bonds (distance) P-C4' energy: -60.159 flat angles C4'-P-C4' energy: -56.338 flat angles P-C4'-P energy: -37.781 tors. eta vs tors. theta energy: -55.551 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: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -497.522917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.522917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.522917 (E_RNA) where: Base-Base interactions energy: -271.423 where: short stacking energy: -148.674 Base-Backbone interact. energy: 0.428 local terms energy: -226.526968 where: bonds (distance) C4'-P energy: -50.287 bonds (distance) P-C4' energy: -57.834 flat angles C4'-P-C4' energy: -60.412 flat angles P-C4'-P energy: -25.441 tors. eta vs tors. theta energy: -32.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -502.250228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.250228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.250228 (E_RNA) where: Base-Base interactions energy: -249.454 where: short stacking energy: -133.360 Base-Backbone interact. energy: -0.252 local terms energy: -252.544251 where: bonds (distance) C4'-P energy: -62.273 bonds (distance) P-C4' energy: -59.447 flat angles C4'-P-C4' energy: -55.334 flat angles P-C4'-P energy: -41.223 tors. eta vs tors. theta energy: -34.267 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: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -378.410493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.410493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.410493 (E_RNA) where: Base-Base interactions energy: -205.451 where: short stacking energy: -104.444 Base-Backbone interact. energy: -2.358 local terms energy: -170.601726 where: bonds (distance) C4'-P energy: -44.855 bonds (distance) P-C4' energy: -49.927 flat angles C4'-P-C4' energy: -42.011 flat angles P-C4'-P energy: -29.382 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -307.258703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.258703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.258703 (E_RNA) where: Base-Base interactions energy: -134.960 where: short stacking energy: -68.638 Base-Backbone interact. energy: -0.449 local terms energy: -171.850254 where: bonds (distance) C4'-P energy: -48.198 bonds (distance) P-C4' energy: -55.730 flat angles C4'-P-C4' energy: -50.814 flat angles P-C4'-P energy: -15.759 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1055.446005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.446005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.446005 (E_RNA) where: Base-Base interactions energy: -709.275 where: short stacking energy: -306.216 Base-Backbone interact. energy: -0.909 local terms energy: -345.262606 where: bonds (distance) C4'-P energy: -65.348 bonds (distance) P-C4' energy: -63.452 flat angles C4'-P-C4' energy: -67.970 flat angles P-C4'-P energy: -48.465 tors. eta vs tors. theta energy: -100.027 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: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1055.061103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.061103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.061103 (E_RNA) where: Base-Base interactions energy: -709.254 where: short stacking energy: -306.977 Base-Backbone interact. energy: 0.370 local terms energy: -346.177749 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -65.483 flat angles C4'-P-C4' energy: -75.068 flat angles P-C4'-P energy: -46.212 tors. eta vs tors. theta energy: -96.455 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: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -972.336170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.336170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.336170 (E_RNA) where: Base-Base interactions energy: -674.425 where: short stacking energy: -277.702 Base-Backbone interact. energy: -0.994 local terms energy: -296.917294 where: bonds (distance) C4'-P energy: -53.448 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -63.146 flat angles P-C4'-P energy: -37.148 tors. eta vs tors. theta energy: -79.999 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: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -921.844015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.844015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.844015 (E_RNA) where: Base-Base interactions energy: -605.721 where: short stacking energy: -262.638 Base-Backbone interact. energy: -0.122 local terms energy: -316.000724 where: bonds (distance) C4'-P energy: -57.708 bonds (distance) P-C4' energy: -59.331 flat angles C4'-P-C4' energy: -68.185 flat angles P-C4'-P energy: -54.954 tors. eta vs tors. theta energy: -75.823 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: 1 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -835.909050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.909050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.909050 (E_RNA) where: Base-Base interactions energy: -563.800 where: short stacking energy: -248.857 Base-Backbone interact. energy: -1.699 local terms energy: -270.409982 where: bonds (distance) C4'-P energy: -52.532 bonds (distance) P-C4' energy: -57.498 flat angles C4'-P-C4' energy: -52.160 flat angles P-C4'-P energy: -35.766 tors. eta vs tors. theta energy: -72.455 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: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -762.300039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.300039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.300039 (E_RNA) where: Base-Base interactions energy: -491.100 where: short stacking energy: -212.007 Base-Backbone interact. energy: -0.149 local terms energy: -271.051808 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -54.734 flat angles C4'-P-C4' energy: -62.168 flat angles P-C4'-P energy: -38.533 tors. eta vs tors. theta energy: -54.703 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: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -521.839920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.839920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.839920 (E_RNA) where: Base-Base interactions energy: -295.631 where: short stacking energy: -159.970 Base-Backbone interact. energy: 3.082 local terms energy: -229.290404 where: bonds (distance) C4'-P energy: -47.056 bonds (distance) P-C4' energy: -64.840 flat angles C4'-P-C4' energy: -55.417 flat angles P-C4'-P energy: -27.938 tors. eta vs tors. theta energy: -34.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -509.726814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.726814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.726814 (E_RNA) where: Base-Base interactions energy: -280.327 where: short stacking energy: -133.913 Base-Backbone interact. energy: -1.218 local terms energy: -228.181110 where: bonds (distance) C4'-P energy: -53.266 bonds (distance) P-C4' energy: -51.805 flat angles C4'-P-C4' energy: -60.697 flat angles P-C4'-P energy: -39.779 tors. eta vs tors. theta energy: -22.633 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: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -365.804335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.804335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.804335 (E_RNA) where: Base-Base interactions energy: -167.758 where: short stacking energy: -98.456 Base-Backbone interact. energy: -1.417 local terms energy: -196.629420 where: bonds (distance) C4'-P energy: -55.117 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -57.465 flat angles P-C4'-P energy: -33.976 tors. eta vs tors. theta energy: 7.239 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: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -289.559438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.559438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.559438 (E_RNA) where: Base-Base interactions energy: -108.270 where: short stacking energy: -53.380 Base-Backbone interact. energy: 0.364 local terms energy: -181.653292 where: bonds (distance) C4'-P energy: -48.737 bonds (distance) P-C4' energy: -62.885 flat angles C4'-P-C4' energy: -58.278 flat angles P-C4'-P energy: -28.415 tors. eta vs tors. theta energy: 16.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1076.048709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.048709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.048709 (E_RNA) where: Base-Base interactions energy: -735.822 where: short stacking energy: -319.528 Base-Backbone interact. energy: -0.719 local terms energy: -339.507694 where: bonds (distance) C4'-P energy: -61.820 bonds (distance) P-C4' energy: -57.429 flat angles C4'-P-C4' energy: -68.593 flat angles P-C4'-P energy: -48.646 tors. eta vs tors. theta energy: -103.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1043.882404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.882404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.882404 (E_RNA) where: Base-Base interactions energy: -705.327 where: short stacking energy: -296.623 Base-Backbone interact. energy: -0.436 local terms energy: -338.119637 where: bonds (distance) C4'-P energy: -56.482 bonds (distance) P-C4' energy: -67.786 flat angles C4'-P-C4' energy: -69.274 flat angles P-C4'-P energy: -45.953 tors. eta vs tors. theta energy: -98.624 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: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -986.302511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.302511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.302511 (E_RNA) where: Base-Base interactions energy: -668.769 where: short stacking energy: -265.478 Base-Backbone interact. energy: -2.657 local terms energy: -314.875941 where: bonds (distance) C4'-P energy: -58.616 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -67.588 flat angles P-C4'-P energy: -37.888 tors. eta vs tors. theta energy: -85.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -914.191472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.191472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.191472 (E_RNA) where: Base-Base interactions energy: -609.274 where: short stacking energy: -250.451 Base-Backbone interact. energy: -0.849 local terms energy: -304.068132 where: bonds (distance) C4'-P energy: -52.767 bonds (distance) P-C4' energy: -64.967 flat angles C4'-P-C4' energy: -56.587 flat angles P-C4'-P energy: -40.041 tors. eta vs tors. theta energy: -89.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -826.196433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.196433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.196433 (E_RNA) where: Base-Base interactions energy: -532.870 where: short stacking energy: -223.205 Base-Backbone interact. energy: -1.245 local terms energy: -292.081860 where: bonds (distance) C4'-P energy: -56.742 bonds (distance) P-C4' energy: -66.150 flat angles C4'-P-C4' energy: -59.744 flat angles P-C4'-P energy: -42.431 tors. eta vs tors. theta energy: -67.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -736.380121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.380121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.380121 (E_RNA) where: Base-Base interactions energy: -478.842 where: short stacking energy: -203.343 Base-Backbone interact. energy: 0.190 local terms energy: -257.727592 where: bonds (distance) C4'-P energy: -50.135 bonds (distance) P-C4' energy: -68.893 flat angles C4'-P-C4' energy: -59.179 flat angles P-C4'-P energy: -27.113 tors. eta vs tors. theta energy: -52.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -538.437468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.437468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.437468 (E_RNA) where: Base-Base interactions energy: -322.455 where: short stacking energy: -166.417 Base-Backbone interact. energy: -0.138 local terms energy: -215.844850 where: bonds (distance) C4'-P energy: -52.575 bonds (distance) P-C4' energy: -45.768 flat angles C4'-P-C4' energy: -53.681 flat angles P-C4'-P energy: -33.303 tors. eta vs tors. theta energy: -30.517 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: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -531.174980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.174980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.174980 (E_RNA) where: Base-Base interactions energy: -299.801 where: short stacking energy: -157.789 Base-Backbone interact. energy: -0.549 local terms energy: -230.825254 where: bonds (distance) C4'-P energy: -46.894 bonds (distance) P-C4' energy: -63.109 flat angles C4'-P-C4' energy: -51.991 flat angles P-C4'-P energy: -41.101 tors. eta vs tors. theta energy: -27.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -339.559232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.559232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.559232 (E_RNA) where: Base-Base interactions energy: -169.031 where: short stacking energy: -95.653 Base-Backbone interact. energy: -2.631 local terms energy: -167.897550 where: bonds (distance) C4'-P energy: -47.721 bonds (distance) P-C4' energy: -44.298 flat angles C4'-P-C4' energy: -38.250 flat angles P-C4'-P energy: -35.550 tors. eta vs tors. theta energy: -2.078 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: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -259.146473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.146473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.146473 (E_RNA) where: Base-Base interactions energy: -89.995 where: short stacking energy: -63.007 Base-Backbone interact. energy: -1.386 local terms energy: -167.764841 where: bonds (distance) C4'-P energy: -60.806 bonds (distance) P-C4' energy: -51.180 flat angles C4'-P-C4' energy: -47.461 flat angles P-C4'-P energy: -21.187 tors. eta vs tors. theta energy: 12.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1097.374049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.374049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.374049 (E_RNA) where: Base-Base interactions energy: -764.510 where: short stacking energy: -318.490 Base-Backbone interact. energy: -2.102 local terms energy: -330.762080 where: bonds (distance) C4'-P energy: -56.024 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -65.547 flat angles P-C4'-P energy: -48.732 tors. eta vs tors. theta energy: -97.729 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: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1019.601168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.601168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.601168 (E_RNA) where: Base-Base interactions energy: -681.303 where: short stacking energy: -296.058 Base-Backbone interact. energy: -1.182 local terms energy: -337.116200 where: bonds (distance) C4'-P energy: -74.814 bonds (distance) P-C4' energy: -53.136 flat angles C4'-P-C4' energy: -65.334 flat angles P-C4'-P energy: -49.453 tors. eta vs tors. theta energy: -94.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -994.426871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.426871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.426871 (E_RNA) where: Base-Base interactions energy: -666.909 where: short stacking energy: -273.724 Base-Backbone interact. energy: 2.472 local terms energy: -329.989463 where: bonds (distance) C4'-P energy: -72.109 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -68.228 flat angles P-C4'-P energy: -42.363 tors. eta vs tors. theta energy: -88.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -914.189726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.189726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.189726 (E_RNA) where: Base-Base interactions energy: -599.145 where: short stacking energy: -256.201 Base-Backbone interact. energy: -0.374 local terms energy: -314.670224 where: bonds (distance) C4'-P energy: -62.273 bonds (distance) P-C4' energy: -58.070 flat angles C4'-P-C4' energy: -71.468 flat angles P-C4'-P energy: -45.986 tors. eta vs tors. theta energy: -76.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -852.989483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.989483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.989483 (E_RNA) where: Base-Base interactions energy: -547.623 where: short stacking energy: -230.663 Base-Backbone interact. energy: -1.233 local terms energy: -304.133720 where: bonds (distance) C4'-P energy: -61.118 bonds (distance) P-C4' energy: -59.466 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -44.840 tors. eta vs tors. theta energy: -70.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -761.989669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.989669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.989669 (E_RNA) where: Base-Base interactions energy: -467.712 where: short stacking energy: -208.882 Base-Backbone interact. energy: -0.676 local terms energy: -293.601995 where: bonds (distance) C4'-P energy: -59.779 bonds (distance) P-C4' energy: -59.232 flat angles C4'-P-C4' energy: -62.907 flat angles P-C4'-P energy: -45.454 tors. eta vs tors. theta energy: -66.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -536.663425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.663425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.663425 (E_RNA) where: Base-Base interactions energy: -309.897 where: short stacking energy: -144.820 Base-Backbone interact. energy: -0.849 local terms energy: -225.917259 where: bonds (distance) C4'-P energy: -48.915 bonds (distance) P-C4' energy: -53.643 flat angles C4'-P-C4' energy: -59.358 flat angles P-C4'-P energy: -46.505 tors. eta vs tors. theta energy: -17.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -492.990623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.990623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.990623 (E_RNA) where: Base-Base interactions energy: -258.519 where: short stacking energy: -137.488 Base-Backbone interact. energy: -0.499 local terms energy: -233.971859 where: bonds (distance) C4'-P energy: -64.693 bonds (distance) P-C4' energy: -59.999 flat angles C4'-P-C4' energy: -45.837 flat angles P-C4'-P energy: -29.031 tors. eta vs tors. theta energy: -34.411 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: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -357.991203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.991203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.991203 (E_RNA) where: Base-Base interactions energy: -158.282 where: short stacking energy: -84.174 Base-Backbone interact. energy: -0.939 local terms energy: -198.770282 where: bonds (distance) C4'-P energy: -46.803 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -50.133 flat angles P-C4'-P energy: -37.693 tors. eta vs tors. theta energy: -4.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -257.395985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.395985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.395985 (E_RNA) where: Base-Base interactions energy: -63.215 where: short stacking energy: -58.524 Base-Backbone interact. energy: 2.055 local terms energy: -196.235863 where: bonds (distance) C4'-P energy: -54.432 bonds (distance) P-C4' energy: -53.373 flat angles C4'-P-C4' energy: -56.896 flat angles P-C4'-P energy: -32.576 tors. eta vs tors. theta energy: 1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1112.247413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.247413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.247413 (E_RNA) where: Base-Base interactions energy: -754.772 where: short stacking energy: -326.795 Base-Backbone interact. energy: -1.628 local terms energy: -355.847589 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -67.462 flat angles C4'-P-C4' energy: -69.536 flat angles P-C4'-P energy: -54.322 tors. eta vs tors. theta energy: -99.572 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: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1038.624969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.624969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.624969 (E_RNA) where: Base-Base interactions energy: -691.776 where: short stacking energy: -299.699 Base-Backbone interact. energy: 0.681 local terms energy: -347.529860 where: bonds (distance) C4'-P energy: -65.628 bonds (distance) P-C4' energy: -60.132 flat angles C4'-P-C4' energy: -67.523 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -103.175 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: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -955.546455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.546455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.546455 (E_RNA) where: Base-Base interactions energy: -632.261 where: short stacking energy: -262.766 Base-Backbone interact. energy: -2.971 local terms energy: -320.314693 where: bonds (distance) C4'-P energy: -57.056 bonds (distance) P-C4' energy: -65.525 flat angles C4'-P-C4' energy: -70.181 flat angles P-C4'-P energy: -43.795 tors. eta vs tors. theta energy: -83.758 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: 4, replica: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -916.282627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.282627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.282627 (E_RNA) where: Base-Base interactions energy: -621.919 where: short stacking energy: -258.436 Base-Backbone interact. energy: -2.002 local terms energy: -292.361387 where: bonds (distance) C4'-P energy: -55.428 bonds (distance) P-C4' energy: -60.622 flat angles C4'-P-C4' energy: -56.458 flat angles P-C4'-P energy: -46.926 tors. eta vs tors. theta energy: -72.927 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: 1 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -830.477055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.477055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.477055 (E_RNA) where: Base-Base interactions energy: -555.445 where: short stacking energy: -238.376 Base-Backbone interact. energy: -3.168 local terms energy: -271.864608 where: bonds (distance) C4'-P energy: -44.041 bonds (distance) P-C4' energy: -61.088 flat angles C4'-P-C4' energy: -59.101 flat angles P-C4'-P energy: -36.858 tors. eta vs tors. theta energy: -70.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -810.984060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.984060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.984060 (E_RNA) where: Base-Base interactions energy: -513.246 where: short stacking energy: -225.093 Base-Backbone interact. energy: 1.207 local terms energy: -298.945484 where: bonds (distance) C4'-P energy: -58.976 bonds (distance) P-C4' energy: -55.638 flat angles C4'-P-C4' energy: -67.973 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -74.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -559.340155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.340155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.340155 (E_RNA) where: Base-Base interactions energy: -334.793 where: short stacking energy: -157.287 Base-Backbone interact. energy: -0.388 local terms energy: -224.159282 where: bonds (distance) C4'-P energy: -42.297 bonds (distance) P-C4' energy: -52.196 flat angles C4'-P-C4' energy: -64.916 flat angles P-C4'-P energy: -34.981 tors. eta vs tors. theta energy: -29.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -456.098719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.098719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.098719 (E_RNA) where: Base-Base interactions energy: -247.061 where: short stacking energy: -117.117 Base-Backbone interact. energy: 6.244 local terms energy: -215.281179 where: bonds (distance) C4'-P energy: -64.658 bonds (distance) P-C4' energy: -57.342 flat angles C4'-P-C4' energy: -44.073 flat angles P-C4'-P energy: -34.536 tors. eta vs tors. theta energy: -14.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -377.726734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.726734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.726734 (E_RNA) where: Base-Base interactions energy: -179.668 where: short stacking energy: -99.423 Base-Backbone interact. energy: 4.431 local terms energy: -202.489064 where: bonds (distance) C4'-P energy: -61.149 bonds (distance) P-C4' energy: -53.430 flat angles C4'-P-C4' energy: -53.966 flat angles P-C4'-P energy: -37.025 tors. eta vs tors. theta energy: 3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -270.130124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.130124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.130124 (E_RNA) where: Base-Base interactions energy: -104.273 where: short stacking energy: -79.966 Base-Backbone interact. energy: -3.052 local terms energy: -162.804930 where: bonds (distance) C4'-P energy: -47.840 bonds (distance) P-C4' energy: -43.110 flat angles C4'-P-C4' energy: -52.027 flat angles P-C4'-P energy: -28.838 tors. eta vs tors. theta energy: 9.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1111.223172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.223172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.223172 (E_RNA) where: Base-Base interactions energy: -770.778 where: short stacking energy: -328.255 Base-Backbone interact. energy: -0.011 local terms energy: -340.434153 where: bonds (distance) C4'-P energy: -61.310 bonds (distance) P-C4' energy: -53.669 flat angles C4'-P-C4' energy: -73.955 flat angles P-C4'-P energy: -53.793 tors. eta vs tors. theta energy: -97.708 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: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1030.184596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.184596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.184596 (E_RNA) where: Base-Base interactions energy: -691.434 where: short stacking energy: -288.038 Base-Backbone interact. energy: -1.225 local terms energy: -337.526118 where: bonds (distance) C4'-P energy: -61.063 bonds (distance) P-C4' energy: -60.627 flat angles C4'-P-C4' energy: -76.579 flat angles P-C4'-P energy: -45.956 tors. eta vs tors. theta energy: -93.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -938.385299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.385299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.385299 (E_RNA) where: Base-Base interactions energy: -631.377 where: short stacking energy: -266.608 Base-Backbone interact. energy: 5.228 local terms energy: -312.236690 where: bonds (distance) C4'-P energy: -66.580 bonds (distance) P-C4' energy: -69.197 flat angles C4'-P-C4' energy: -64.812 flat angles P-C4'-P energy: -32.329 tors. eta vs tors. theta energy: -79.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -932.325517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.325517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.325517 (E_RNA) where: Base-Base interactions energy: -632.372 where: short stacking energy: -253.006 Base-Backbone interact. energy: -2.101 local terms energy: -297.852468 where: bonds (distance) C4'-P energy: -59.276 bonds (distance) P-C4' energy: -62.552 flat angles C4'-P-C4' energy: -59.120 flat angles P-C4'-P energy: -40.378 tors. eta vs tors. theta energy: -76.526 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: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -838.554052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.554052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.554052 (E_RNA) where: Base-Base interactions energy: -539.735 where: short stacking energy: -234.551 Base-Backbone interact. energy: -1.419 local terms energy: -297.400315 where: bonds (distance) C4'-P energy: -61.943 bonds (distance) P-C4' energy: -63.131 flat angles C4'-P-C4' energy: -62.861 flat angles P-C4'-P energy: -39.500 tors. eta vs tors. theta energy: -69.965 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: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -794.704284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.704284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.704284 (E_RNA) where: Base-Base interactions energy: -522.350 where: short stacking energy: -217.916 Base-Backbone interact. energy: -1.324 local terms energy: -271.030951 where: bonds (distance) C4'-P energy: -59.453 bonds (distance) P-C4' energy: -47.143 flat angles C4'-P-C4' energy: -61.458 flat angles P-C4'-P energy: -36.497 tors. eta vs tors. theta energy: -66.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -546.606758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.606758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.606758 (E_RNA) where: Base-Base interactions energy: -321.012 where: short stacking energy: -152.607 Base-Backbone interact. energy: -0.611 local terms energy: -224.983067 where: bonds (distance) C4'-P energy: -60.583 bonds (distance) P-C4' energy: -48.635 flat angles C4'-P-C4' energy: -54.571 flat angles P-C4'-P energy: -31.157 tors. eta vs tors. theta energy: -30.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -492.572106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.572106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.572106 (E_RNA) where: Base-Base interactions energy: -289.952 where: short stacking energy: -149.114 Base-Backbone interact. energy: -0.781 local terms energy: -201.838320 where: bonds (distance) C4'-P energy: -54.217 bonds (distance) P-C4' energy: -34.380 flat angles C4'-P-C4' energy: -52.322 flat angles P-C4'-P energy: -33.489 tors. eta vs tors. theta energy: -27.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -356.090390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.090390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.090390 (E_RNA) where: Base-Base interactions energy: -148.141 where: short stacking energy: -96.510 Base-Backbone interact. energy: -0.888 local terms energy: -207.061654 where: bonds (distance) C4'-P energy: -62.228 bonds (distance) P-C4' energy: -51.558 flat angles C4'-P-C4' energy: -55.158 flat angles P-C4'-P energy: -28.670 tors. eta vs tors. theta energy: -9.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -248.035465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.035465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.035465 (E_RNA) where: Base-Base interactions energy: -69.020 where: short stacking energy: -58.565 Base-Backbone interact. energy: -1.014 local terms energy: -178.001081 where: bonds (distance) C4'-P energy: -67.716 bonds (distance) P-C4' energy: -60.033 flat angles C4'-P-C4' energy: -43.502 flat angles P-C4'-P energy: -28.814 tors. eta vs tors. theta energy: 22.064 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: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1105.535724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.535724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.535724 (E_RNA) where: Base-Base interactions energy: -752.722 where: short stacking energy: -326.896 Base-Backbone interact. energy: -1.176 local terms energy: -351.637443 where: bonds (distance) C4'-P energy: -61.505 bonds (distance) P-C4' energy: -62.649 flat angles C4'-P-C4' energy: -72.469 flat angles P-C4'-P energy: -52.492 tors. eta vs tors. theta energy: -102.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1028.186275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.186275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.186275 (E_RNA) where: Base-Base interactions energy: -707.022 where: short stacking energy: -300.529 Base-Backbone interact. energy: -1.193 local terms energy: -319.971346 where: bonds (distance) C4'-P energy: -60.161 bonds (distance) P-C4' energy: -53.924 flat angles C4'-P-C4' energy: -66.237 flat angles P-C4'-P energy: -43.788 tors. eta vs tors. theta energy: -95.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -972.445041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.445041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.445041 (E_RNA) where: Base-Base interactions energy: -675.701 where: short stacking energy: -266.448 Base-Backbone interact. energy: -3.526 local terms energy: -293.218026 where: bonds (distance) C4'-P energy: -52.345 bonds (distance) P-C4' energy: -61.707 flat angles C4'-P-C4' energy: -63.359 flat angles P-C4'-P energy: -40.588 tors. eta vs tors. theta energy: -75.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -949.243280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.243280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.243280 (E_RNA) where: Base-Base interactions energy: -639.520 where: short stacking energy: -264.715 Base-Backbone interact. energy: -0.914 local terms energy: -308.809368 where: bonds (distance) C4'-P energy: -53.690 bonds (distance) P-C4' energy: -65.657 flat angles C4'-P-C4' energy: -57.359 flat angles P-C4'-P energy: -53.383 tors. eta vs tors. theta energy: -78.721 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: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -836.908655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.908655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.908655 (E_RNA) where: Base-Base interactions energy: -571.089 where: short stacking energy: -268.637 Base-Backbone interact. energy: -1.284 local terms energy: -264.535438 where: bonds (distance) C4'-P energy: -47.422 bonds (distance) P-C4' energy: -57.275 flat angles C4'-P-C4' energy: -53.299 flat angles P-C4'-P energy: -33.366 tors. eta vs tors. theta energy: -73.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -773.298865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.298865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.298865 (E_RNA) where: Base-Base interactions energy: -529.779 where: short stacking energy: -226.710 Base-Backbone interact. energy: -1.670 local terms energy: -241.849897 where: bonds (distance) C4'-P energy: -40.892 bonds (distance) P-C4' energy: -52.318 flat angles C4'-P-C4' energy: -58.955 flat angles P-C4'-P energy: -31.693 tors. eta vs tors. theta energy: -57.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -543.415661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.415661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.415661 (E_RNA) where: Base-Base interactions energy: -303.328 where: short stacking energy: -154.391 Base-Backbone interact. energy: -2.478 local terms energy: -237.609912 where: bonds (distance) C4'-P energy: -57.444 bonds (distance) P-C4' energy: -56.515 flat angles C4'-P-C4' energy: -57.892 flat angles P-C4'-P energy: -31.666 tors. eta vs tors. theta energy: -34.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -492.814386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.814386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.814386 (E_RNA) where: Base-Base interactions energy: -280.674 where: short stacking energy: -141.996 Base-Backbone interact. energy: -1.064 local terms energy: -211.076459 where: bonds (distance) C4'-P energy: -55.940 bonds (distance) P-C4' energy: -41.374 flat angles C4'-P-C4' energy: -58.896 flat angles P-C4'-P energy: -29.894 tors. eta vs tors. theta energy: -24.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -346.157046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.157046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.157046 (E_RNA) where: Base-Base interactions energy: -173.410 where: short stacking energy: -83.993 Base-Backbone interact. energy: -0.635 local terms energy: -172.111918 where: bonds (distance) C4'-P energy: -44.138 bonds (distance) P-C4' energy: -62.982 flat angles C4'-P-C4' energy: -55.958 flat angles P-C4'-P energy: -13.574 tors. eta vs tors. theta energy: 4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -299.999025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.999025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.999025 (E_RNA) where: Base-Base interactions energy: -128.731 where: short stacking energy: -88.909 Base-Backbone interact. energy: -2.946 local terms energy: -168.321920 where: bonds (distance) C4'-P energy: -26.322 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -49.206 flat angles P-C4'-P energy: -28.378 tors. eta vs tors. theta energy: 0.494 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: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1113.461865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.461865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.461865 (E_RNA) where: Base-Base interactions energy: -744.550 where: short stacking energy: -325.417 Base-Backbone interact. energy: -1.392 local terms energy: -367.520303 where: bonds (distance) C4'-P energy: -70.325 bonds (distance) P-C4' energy: -63.568 flat angles C4'-P-C4' energy: -78.259 flat angles P-C4'-P energy: -49.784 tors. eta vs tors. theta energy: -105.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1032.384800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.384800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.384800 (E_RNA) where: Base-Base interactions energy: -709.784 where: short stacking energy: -297.980 Base-Backbone interact. energy: -1.179 local terms energy: -321.421653 where: bonds (distance) C4'-P energy: -60.913 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -66.244 flat angles P-C4'-P energy: -45.744 tors. eta vs tors. theta energy: -85.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -952.723230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.723230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.723230 (E_RNA) where: Base-Base interactions energy: -630.516 where: short stacking energy: -271.570 Base-Backbone interact. energy: -3.245 local terms energy: -318.962332 where: bonds (distance) C4'-P energy: -63.556 bonds (distance) P-C4' energy: -62.884 flat angles C4'-P-C4' energy: -66.964 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -78.336 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: 349 Temperature: 1.050000 Total energy: -932.976200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.976200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.976200 (E_RNA) where: Base-Base interactions energy: -633.940 where: short stacking energy: -265.823 Base-Backbone interact. energy: 0.489 local terms energy: -299.525498 where: bonds (distance) C4'-P energy: -58.725 bonds (distance) P-C4' energy: -58.420 flat angles C4'-P-C4' energy: -64.438 flat angles P-C4'-P energy: -41.832 tors. eta vs tors. theta energy: -76.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -802.273496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.273496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.273496 (E_RNA) where: Base-Base interactions energy: -532.876 where: short stacking energy: -220.669 Base-Backbone interact. energy: -0.133 local terms energy: -269.264122 where: bonds (distance) C4'-P energy: -53.000 bonds (distance) P-C4' energy: -47.141 flat angles C4'-P-C4' energy: -57.266 flat angles P-C4'-P energy: -47.485 tors. eta vs tors. theta energy: -64.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -830.794147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.794147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.794147 (E_RNA) where: Base-Base interactions energy: -554.005 where: short stacking energy: -240.101 Base-Backbone interact. energy: -1.517 local terms energy: -275.271828 where: bonds (distance) C4'-P energy: -55.855 bonds (distance) P-C4' energy: -60.148 flat angles C4'-P-C4' energy: -53.697 flat angles P-C4'-P energy: -33.714 tors. eta vs tors. theta energy: -71.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -586.695666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.695666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.695666 (E_RNA) where: Base-Base interactions energy: -338.284 where: short stacking energy: -174.825 Base-Backbone interact. energy: 0.145 local terms energy: -248.556263 where: bonds (distance) C4'-P energy: -53.862 bonds (distance) P-C4' energy: -61.944 flat angles C4'-P-C4' energy: -59.563 flat angles P-C4'-P energy: -25.599 tors. eta vs tors. theta energy: -47.589 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: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -497.677929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.677929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.677929 (E_RNA) where: Base-Base interactions energy: -295.169 where: short stacking energy: -136.449 Base-Backbone interact. energy: 0.389 local terms energy: -202.897483 where: bonds (distance) C4'-P energy: -48.097 bonds (distance) P-C4' energy: -55.428 flat angles C4'-P-C4' energy: -44.079 flat angles P-C4'-P energy: -30.243 tors. eta vs tors. theta energy: -25.051 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: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -353.468237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.468237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.468237 (E_RNA) where: Base-Base interactions energy: -193.716 where: short stacking energy: -97.738 Base-Backbone interact. energy: 0.258 local terms energy: -160.009724 where: bonds (distance) C4'-P energy: -37.958 bonds (distance) P-C4' energy: -46.334 flat angles C4'-P-C4' energy: -51.406 flat angles P-C4'-P energy: -31.781 tors. eta vs tors. theta energy: 7.469 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: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -253.532883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.532883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.532883 (E_RNA) where: Base-Base interactions energy: -88.632 where: short stacking energy: -75.635 Base-Backbone interact. energy: -0.027 local terms energy: -164.874021 where: bonds (distance) C4'-P energy: -43.363 bonds (distance) P-C4' energy: -42.879 flat angles C4'-P-C4' energy: -46.335 flat angles P-C4'-P energy: -37.125 tors. eta vs tors. theta energy: 4.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1089.700536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.700536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.700536 (E_RNA) where: Base-Base interactions energy: -725.856 where: short stacking energy: -310.324 Base-Backbone interact. energy: 0.320 local terms energy: -364.164234 where: bonds (distance) C4'-P energy: -70.007 bonds (distance) P-C4' energy: -65.523 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -53.173 tors. eta vs tors. theta energy: -99.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1034.734176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.734176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.734176 (E_RNA) where: Base-Base interactions energy: -698.202 where: short stacking energy: -307.999 Base-Backbone interact. energy: -0.126 local terms energy: -336.405570 where: bonds (distance) C4'-P energy: -59.675 bonds (distance) P-C4' energy: -68.823 flat angles C4'-P-C4' energy: -70.133 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -93.766 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: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -974.610788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.610788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.610788 (E_RNA) where: Base-Base interactions energy: -662.019 where: short stacking energy: -264.972 Base-Backbone interact. energy: -0.100 local terms energy: -312.491994 where: bonds (distance) C4'-P energy: -66.236 bonds (distance) P-C4' energy: -58.513 flat angles C4'-P-C4' energy: -63.758 flat angles P-C4'-P energy: -44.381 tors. eta vs tors. theta energy: -79.604 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: 4, replica: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -917.029058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.029058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.029058 (E_RNA) where: Base-Base interactions energy: -606.872 where: short stacking energy: -266.212 Base-Backbone interact. energy: -0.919 local terms energy: -309.238550 where: bonds (distance) C4'-P energy: -60.093 bonds (distance) P-C4' energy: -62.517 flat angles C4'-P-C4' energy: -60.452 flat angles P-C4'-P energy: -47.819 tors. eta vs tors. theta energy: -78.359 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: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -865.559757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.559757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.559757 (E_RNA) where: Base-Base interactions energy: -568.004 where: short stacking energy: -242.333 Base-Backbone interact. energy: -1.310 local terms energy: -296.245104 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -57.924 flat angles C4'-P-C4' energy: -64.370 flat angles P-C4'-P energy: -39.788 tors. eta vs tors. theta energy: -76.259 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: 350 Temperature: 1.150000 Total energy: -785.530794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.530794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.530794 (E_RNA) where: Base-Base interactions energy: -517.247 where: short stacking energy: -229.733 Base-Backbone interact. energy: -0.973 local terms energy: -267.310520 where: bonds (distance) C4'-P energy: -60.895 bonds (distance) P-C4' energy: -58.723 flat angles C4'-P-C4' energy: -42.664 flat angles P-C4'-P energy: -42.348 tors. eta vs tors. theta energy: -62.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -512.573371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.573371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.573371 (E_RNA) where: Base-Base interactions energy: -299.683 where: short stacking energy: -153.634 Base-Backbone interact. energy: -1.340 local terms energy: -211.550604 where: bonds (distance) C4'-P energy: -43.757 bonds (distance) P-C4' energy: -49.436 flat angles C4'-P-C4' energy: -46.021 flat angles P-C4'-P energy: -46.423 tors. eta vs tors. theta energy: -25.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -477.059766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.059766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.059766 (E_RNA) where: Base-Base interactions energy: -254.569 where: short stacking energy: -134.484 Base-Backbone interact. energy: 1.375 local terms energy: -223.865928 where: bonds (distance) C4'-P energy: -53.659 bonds (distance) P-C4' energy: -59.230 flat angles C4'-P-C4' energy: -48.211 flat angles P-C4'-P energy: -34.524 tors. eta vs tors. theta energy: -28.241 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: 3 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -262.741747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.741747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.741747 (E_RNA) where: Base-Base interactions energy: -102.492 where: short stacking energy: -88.231 Base-Backbone interact. energy: 7.088 local terms energy: -167.337915 where: bonds (distance) C4'-P energy: -59.140 bonds (distance) P-C4' energy: -48.652 flat angles C4'-P-C4' energy: -45.614 flat angles P-C4'-P energy: -20.548 tors. eta vs tors. theta energy: 6.617 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: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -320.331957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.331957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.331957 (E_RNA) where: Base-Base interactions energy: -154.251 where: short stacking energy: -80.954 Base-Backbone interact. energy: 0.666 local terms energy: -166.746832 where: bonds (distance) C4'-P energy: -53.061 bonds (distance) P-C4' energy: -51.713 flat angles C4'-P-C4' energy: -36.125 flat angles P-C4'-P energy: -24.125 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1076.553169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.553169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.553169 (E_RNA) where: Base-Base interactions energy: -728.622 where: short stacking energy: -311.425 Base-Backbone interact. energy: -1.026 local terms energy: -346.904706 where: bonds (distance) C4'-P energy: -58.985 bonds (distance) P-C4' energy: -67.476 flat angles C4'-P-C4' energy: -75.899 flat angles P-C4'-P energy: -48.892 tors. eta vs tors. theta energy: -95.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1043.278209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.278209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.278209 (E_RNA) where: Base-Base interactions energy: -701.871 where: short stacking energy: -300.460 Base-Backbone interact. energy: 0.138 local terms energy: -341.545606 where: bonds (distance) C4'-P energy: -67.246 bonds (distance) P-C4' energy: -61.439 flat angles C4'-P-C4' energy: -68.292 flat angles P-C4'-P energy: -54.139 tors. eta vs tors. theta energy: -90.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -986.318796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.318796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.318796 (E_RNA) where: Base-Base interactions energy: -663.849 where: short stacking energy: -279.210 Base-Backbone interact. energy: -0.853 local terms energy: -321.616430 where: bonds (distance) C4'-P energy: -50.833 bonds (distance) P-C4' energy: -63.786 flat angles C4'-P-C4' energy: -69.278 flat angles P-C4'-P energy: -52.000 tors. eta vs tors. theta energy: -85.720 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: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -938.052321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.052321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.052321 (E_RNA) where: Base-Base interactions energy: -633.692 where: short stacking energy: -268.171 Base-Backbone interact. energy: -0.617 local terms energy: -303.743589 where: bonds (distance) C4'-P energy: -57.686 bonds (distance) P-C4' energy: -62.310 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -40.600 tors. eta vs tors. theta energy: -82.002 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: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -862.906565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.906565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.906565 (E_RNA) where: Base-Base interactions energy: -581.543 where: short stacking energy: -246.640 Base-Backbone interact. energy: -2.874 local terms energy: -278.490025 where: bonds (distance) C4'-P energy: -57.674 bonds (distance) P-C4' energy: -48.656 flat angles C4'-P-C4' energy: -58.509 flat angles P-C4'-P energy: -34.400 tors. eta vs tors. theta energy: -79.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -745.380396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.380396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.380396 (E_RNA) where: Base-Base interactions energy: -471.064 where: short stacking energy: -210.938 Base-Backbone interact. energy: -1.348 local terms energy: -272.968842 where: bonds (distance) C4'-P energy: -63.945 bonds (distance) P-C4' energy: -52.198 flat angles C4'-P-C4' energy: -59.853 flat angles P-C4'-P energy: -35.310 tors. eta vs tors. theta energy: -61.662 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: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -544.803713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.803713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.803713 (E_RNA) where: Base-Base interactions energy: -308.607 where: short stacking energy: -165.812 Base-Backbone interact. energy: 1.711 local terms energy: -237.907811 where: bonds (distance) C4'-P energy: -56.019 bonds (distance) P-C4' energy: -54.994 flat angles C4'-P-C4' energy: -57.017 flat angles P-C4'-P energy: -28.882 tors. eta vs tors. theta energy: -40.997 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: 8, replica: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -492.424767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.424767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.424767 (E_RNA) where: Base-Base interactions energy: -276.536 where: short stacking energy: -162.056 Base-Backbone interact. energy: -0.674 local terms energy: -215.214368 where: bonds (distance) C4'-P energy: -56.581 bonds (distance) P-C4' energy: -52.631 flat angles C4'-P-C4' energy: -57.782 flat angles P-C4'-P energy: -25.062 tors. eta vs tors. theta energy: -23.159 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: 9, replica: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -275.871433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.871433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.871433 (E_RNA) where: Base-Base interactions energy: -90.191 where: short stacking energy: -71.690 Base-Backbone interact. energy: -0.467 local terms energy: -185.213893 where: bonds (distance) C4'-P energy: -62.085 bonds (distance) P-C4' energy: -64.928 flat angles C4'-P-C4' energy: -45.225 flat angles P-C4'-P energy: -25.597 tors. eta vs tors. theta energy: 12.621 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: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -310.416791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.416791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.416791 (E_RNA) where: Base-Base interactions energy: -126.182 where: short stacking energy: -76.244 Base-Backbone interact. energy: -2.634 local terms energy: -181.601291 where: bonds (distance) C4'-P energy: -59.105 bonds (distance) P-C4' energy: -52.018 flat angles C4'-P-C4' energy: -60.802 flat angles P-C4'-P energy: -15.355 tors. eta vs tors. theta energy: 5.678 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: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1078.154614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.154614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.154614 (E_RNA) where: Base-Base interactions energy: -747.155 where: short stacking energy: -328.576 Base-Backbone interact. energy: -0.587 local terms energy: -330.412338 where: bonds (distance) C4'-P energy: -55.254 bonds (distance) P-C4' energy: -58.838 flat angles C4'-P-C4' energy: -79.160 flat angles P-C4'-P energy: -40.821 tors. eta vs tors. theta energy: -96.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1037.537216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.537216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.537216 (E_RNA) where: Base-Base interactions energy: -711.383 where: short stacking energy: -314.212 Base-Backbone interact. energy: -0.468 local terms energy: -325.686389 where: bonds (distance) C4'-P energy: -58.247 bonds (distance) P-C4' energy: -63.969 flat angles C4'-P-C4' energy: -64.822 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -92.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -995.896320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.896320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.896320 (E_RNA) where: Base-Base interactions energy: -694.296 where: short stacking energy: -292.444 Base-Backbone interact. energy: -0.044 local terms energy: -301.557053 where: bonds (distance) C4'-P energy: -49.206 bonds (distance) P-C4' energy: -58.989 flat angles C4'-P-C4' energy: -61.659 flat angles P-C4'-P energy: -48.298 tors. eta vs tors. theta energy: -83.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -952.152245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.152245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.152245 (E_RNA) where: Base-Base interactions energy: -655.061 where: short stacking energy: -254.370 Base-Backbone interact. energy: -0.916 local terms energy: -296.175104 where: bonds (distance) C4'-P energy: -58.572 bonds (distance) P-C4' energy: -56.156 flat angles C4'-P-C4' energy: -64.168 flat angles P-C4'-P energy: -43.724 tors. eta vs tors. theta energy: -73.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -882.997957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.997957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.997957 (E_RNA) where: Base-Base interactions energy: -590.319 where: short stacking energy: -249.112 Base-Backbone interact. energy: -3.006 local terms energy: -289.672539 where: bonds (distance) C4'-P energy: -54.203 bonds (distance) P-C4' energy: -66.756 flat angles C4'-P-C4' energy: -50.984 flat angles P-C4'-P energy: -41.819 tors. eta vs tors. theta energy: -75.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -752.418518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.418518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.418518 (E_RNA) where: Base-Base interactions energy: -503.250 where: short stacking energy: -223.119 Base-Backbone interact. energy: 3.136 local terms energy: -252.304531 where: bonds (distance) C4'-P energy: -46.222 bonds (distance) P-C4' energy: -61.727 flat angles C4'-P-C4' energy: -53.438 flat angles P-C4'-P energy: -32.336 tors. eta vs tors. theta energy: -58.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -495.227480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.227480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.227480 (E_RNA) where: Base-Base interactions energy: -276.161 where: short stacking energy: -151.632 Base-Backbone interact. energy: -1.111 local terms energy: -217.955295 where: bonds (distance) C4'-P energy: -61.750 bonds (distance) P-C4' energy: -50.658 flat angles C4'-P-C4' energy: -61.510 flat angles P-C4'-P energy: -15.550 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: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -510.017635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.017635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.017635 (E_RNA) where: Base-Base interactions energy: -290.633 where: short stacking energy: -149.464 Base-Backbone interact. energy: -1.381 local terms energy: -218.003363 where: bonds (distance) C4'-P energy: -52.990 bonds (distance) P-C4' energy: -55.298 flat angles C4'-P-C4' energy: -54.039 flat angles P-C4'-P energy: -23.243 tors. eta vs tors. theta energy: -32.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -287.207411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.207411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.207411 (E_RNA) where: Base-Base interactions energy: -115.498 where: short stacking energy: -78.824 Base-Backbone interact. energy: -1.999 local terms energy: -169.709876 where: bonds (distance) C4'-P energy: -36.335 bonds (distance) P-C4' energy: -64.393 flat angles C4'-P-C4' energy: -46.483 flat angles P-C4'-P energy: -32.628 tors. eta vs tors. theta energy: 10.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -268.512695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.512695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.512695 (E_RNA) where: Base-Base interactions energy: -107.872 where: short stacking energy: -65.194 Base-Backbone interact. energy: -2.199 local terms energy: -158.441955 where: bonds (distance) C4'-P energy: -39.543 bonds (distance) P-C4' energy: -71.991 flat angles C4'-P-C4' energy: -51.687 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: 11.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1104.853759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.853759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.853759 (E_RNA) where: Base-Base interactions energy: -745.528 where: short stacking energy: -319.766 Base-Backbone interact. energy: -1.699 local terms energy: -357.626844 where: bonds (distance) C4'-P energy: -62.896 bonds (distance) P-C4' energy: -70.110 flat angles C4'-P-C4' energy: -71.589 flat angles P-C4'-P energy: -51.312 tors. eta vs tors. theta energy: -101.719 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: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1042.010311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.010311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.010311 (E_RNA) where: Base-Base interactions energy: -700.398 where: short stacking energy: -288.158 Base-Backbone interact. energy: -1.101 local terms energy: -340.510733 where: bonds (distance) C4'-P energy: -63.750 bonds (distance) P-C4' energy: -74.163 flat angles C4'-P-C4' energy: -69.047 flat angles P-C4'-P energy: -40.745 tors. eta vs tors. theta energy: -92.805 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: 3, replica: 2 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -975.156360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.156360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.156360 (E_RNA) where: Base-Base interactions energy: -674.654 where: short stacking energy: -265.732 Base-Backbone interact. energy: -1.800 local terms energy: -298.702629 where: bonds (distance) C4'-P energy: -49.092 bonds (distance) P-C4' energy: -57.608 flat angles C4'-P-C4' energy: -68.276 flat angles P-C4'-P energy: -45.122 tors. eta vs tors. theta energy: -78.605 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: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -957.548271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.548271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.548271 (E_RNA) where: Base-Base interactions energy: -653.937 where: short stacking energy: -253.747 Base-Backbone interact. energy: -2.308 local terms energy: -301.303451 where: bonds (distance) C4'-P energy: -64.122 bonds (distance) P-C4' energy: -56.566 flat angles C4'-P-C4' energy: -65.335 flat angles P-C4'-P energy: -37.382 tors. eta vs tors. theta energy: -77.898 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: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -880.950582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.950582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.950582 (E_RNA) where: Base-Base interactions energy: -591.827 where: short stacking energy: -249.935 Base-Backbone interact. energy: 2.378 local terms energy: -291.502136 where: bonds (distance) C4'-P energy: -53.133 bonds (distance) P-C4' energy: -51.904 flat angles C4'-P-C4' energy: -54.385 flat angles P-C4'-P energy: -49.217 tors. eta vs tors. theta energy: -82.863 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: 353 Temperature: 1.150000 Total energy: -775.250056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.250056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.250056 (E_RNA) where: Base-Base interactions energy: -492.212 where: short stacking energy: -223.969 Base-Backbone interact. energy: -1.182 local terms energy: -281.856808 where: bonds (distance) C4'-P energy: -58.231 bonds (distance) P-C4' energy: -64.021 flat angles C4'-P-C4' energy: -68.242 flat angles P-C4'-P energy: -35.958 tors. eta vs tors. theta energy: -55.404 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: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -504.547618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.547618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.547618 (E_RNA) where: Base-Base interactions energy: -263.588 where: short stacking energy: -135.627 Base-Backbone interact. energy: 1.401 local terms energy: -242.360211 where: bonds (distance) C4'-P energy: -64.318 bonds (distance) P-C4' energy: -63.051 flat angles C4'-P-C4' energy: -53.971 flat angles P-C4'-P energy: -37.034 tors. eta vs tors. theta energy: -23.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -527.645908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.645908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.645908 (E_RNA) where: Base-Base interactions energy: -315.693 where: short stacking energy: -172.709 Base-Backbone interact. energy: -0.540 local terms energy: -211.413009 where: bonds (distance) C4'-P energy: -53.498 bonds (distance) P-C4' energy: -49.017 flat angles C4'-P-C4' energy: -42.656 flat angles P-C4'-P energy: -37.542 tors. eta vs tors. theta energy: -28.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -277.313212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.313212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.313212 (E_RNA) where: Base-Base interactions energy: -111.674 where: short stacking energy: -102.959 Base-Backbone interact. energy: 4.599 local terms energy: -170.238825 where: bonds (distance) C4'-P energy: -43.090 bonds (distance) P-C4' energy: -44.152 flat angles C4'-P-C4' energy: -45.269 flat angles P-C4'-P energy: -30.924 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -259.486032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.486032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.486032 (E_RNA) where: Base-Base interactions energy: -99.588 where: short stacking energy: -80.827 Base-Backbone interact. energy: -0.255 local terms energy: -159.642386 where: bonds (distance) C4'-P energy: -50.616 bonds (distance) P-C4' energy: -31.501 flat angles C4'-P-C4' energy: -44.090 flat angles P-C4'-P energy: -34.546 tors. eta vs tors. theta energy: 1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1088.406734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.406734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.406734 (E_RNA) where: Base-Base interactions energy: -751.176 where: short stacking energy: -314.170 Base-Backbone interact. energy: -1.506 local terms energy: -335.725158 where: bonds (distance) C4'-P energy: -66.384 bonds (distance) P-C4' energy: -53.599 flat angles C4'-P-C4' energy: -71.807 flat angles P-C4'-P energy: -50.152 tors. eta vs tors. theta energy: -93.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1046.311409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.311409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.311409 (E_RNA) where: Base-Base interactions energy: -706.749 where: short stacking energy: -308.946 Base-Backbone interact. energy: -1.205 local terms energy: -338.356894 where: bonds (distance) C4'-P energy: -57.322 bonds (distance) P-C4' energy: -63.003 flat angles C4'-P-C4' energy: -67.331 flat angles P-C4'-P energy: -53.402 tors. eta vs tors. theta energy: -97.298 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: 354 Temperature: 1.000000 Total energy: -974.678704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.678704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.678704 (E_RNA) where: Base-Base interactions energy: -670.646 where: short stacking energy: -274.807 Base-Backbone interact. energy: -1.170 local terms energy: -302.863046 where: bonds (distance) C4'-P energy: -55.557 bonds (distance) P-C4' energy: -61.931 flat angles C4'-P-C4' energy: -65.262 flat angles P-C4'-P energy: -41.154 tors. eta vs tors. theta energy: -78.959 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: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -949.722198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.722198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.722198 (E_RNA) where: Base-Base interactions energy: -642.276 where: short stacking energy: -263.782 Base-Backbone interact. energy: -1.286 local terms energy: -306.160228 where: bonds (distance) C4'-P energy: -64.470 bonds (distance) P-C4' energy: -58.905 flat angles C4'-P-C4' energy: -69.985 flat angles P-C4'-P energy: -39.879 tors. eta vs tors. theta energy: -72.920 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: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -902.016718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.016718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.016718 (E_RNA) where: Base-Base interactions energy: -605.462 where: short stacking energy: -249.158 Base-Backbone interact. energy: -2.657 local terms energy: -293.897397 where: bonds (distance) C4'-P energy: -60.725 bonds (distance) P-C4' energy: -52.809 flat angles C4'-P-C4' energy: -68.884 flat angles P-C4'-P energy: -36.907 tors. eta vs tors. theta energy: -74.572 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: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -766.550324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.550324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.550324 (E_RNA) where: Base-Base interactions energy: -502.482 where: short stacking energy: -207.301 Base-Backbone interact. energy: -0.648 local terms energy: -263.420800 where: bonds (distance) C4'-P energy: -53.418 bonds (distance) P-C4' energy: -53.322 flat angles C4'-P-C4' energy: -54.077 flat angles P-C4'-P energy: -39.584 tors. eta vs tors. theta energy: -63.020 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: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -557.103307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.103307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.103307 (E_RNA) where: Base-Base interactions energy: -319.509 where: short stacking energy: -154.607 Base-Backbone interact. energy: 1.027 local terms energy: -238.621169 where: bonds (distance) C4'-P energy: -53.231 bonds (distance) P-C4' energy: -52.388 flat angles C4'-P-C4' energy: -58.351 flat angles P-C4'-P energy: -41.514 tors. eta vs tors. theta energy: -33.136 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: 6 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -482.657747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.657747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.657747 (E_RNA) where: Base-Base interactions energy: -293.334 where: short stacking energy: -136.238 Base-Backbone interact. energy: 1.028 local terms energy: -190.351912 where: bonds (distance) C4'-P energy: -49.987 bonds (distance) P-C4' energy: -53.088 flat angles C4'-P-C4' energy: -43.103 flat angles P-C4'-P energy: -24.558 tors. eta vs tors. theta energy: -19.616 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: 3 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -263.921099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.921099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.921099 (E_RNA) where: Base-Base interactions energy: -80.286 where: short stacking energy: -58.585 Base-Backbone interact. energy: -1.409 local terms energy: -182.225870 where: bonds (distance) C4'-P energy: -58.678 bonds (distance) P-C4' energy: -63.927 flat angles C4'-P-C4' energy: -47.801 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -258.752410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.752410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.752410 (E_RNA) where: Base-Base interactions energy: -96.550 where: short stacking energy: -70.471 Base-Backbone interact. energy: -1.099 local terms energy: -161.103648 where: bonds (distance) C4'-P energy: -61.016 bonds (distance) P-C4' energy: -51.357 flat angles C4'-P-C4' energy: -41.703 flat angles P-C4'-P energy: -21.119 tors. eta vs tors. theta energy: 14.092 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: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1082.259518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.259518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.259518 (E_RNA) where: Base-Base interactions energy: -739.214 where: short stacking energy: -311.872 Base-Backbone interact. energy: -0.726 local terms energy: -342.319484 where: bonds (distance) C4'-P energy: -54.007 bonds (distance) P-C4' energy: -72.466 flat angles C4'-P-C4' energy: -71.047 flat angles P-C4'-P energy: -50.077 tors. eta vs tors. theta energy: -94.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1045.546410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.546410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.546410 (E_RNA) where: Base-Base interactions energy: -712.843 where: short stacking energy: -314.221 Base-Backbone interact. energy: -1.440 local terms energy: -331.263788 where: bonds (distance) C4'-P energy: -57.799 bonds (distance) P-C4' energy: -58.914 flat angles C4'-P-C4' energy: -71.665 flat angles P-C4'-P energy: -49.540 tors. eta vs tors. theta energy: -93.346 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: 355 Temperature: 1.000000 Total energy: -1001.040909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.040909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.040909 (E_RNA) where: Base-Base interactions energy: -686.949 where: short stacking energy: -303.666 Base-Backbone interact. energy: -2.000 local terms energy: -312.091464 where: bonds (distance) C4'-P energy: -64.728 bonds (distance) P-C4' energy: -53.812 flat angles C4'-P-C4' energy: -71.106 flat angles P-C4'-P energy: -35.429 tors. eta vs tors. theta energy: -87.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -977.856118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.856118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.856118 (E_RNA) where: Base-Base interactions energy: -677.483 where: short stacking energy: -284.073 Base-Backbone interact. energy: -0.743 local terms energy: -299.630061 where: bonds (distance) C4'-P energy: -50.598 bonds (distance) P-C4' energy: -56.921 flat angles C4'-P-C4' energy: -68.371 flat angles P-C4'-P energy: -32.015 tors. eta vs tors. theta energy: -91.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -865.545809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.545809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.545809 (E_RNA) where: Base-Base interactions energy: -577.144 where: short stacking energy: -237.995 Base-Backbone interact. energy: 0.789 local terms energy: -289.190858 where: bonds (distance) C4'-P energy: -59.853 bonds (distance) P-C4' energy: -52.079 flat angles C4'-P-C4' energy: -68.458 flat angles P-C4'-P energy: -40.681 tors. eta vs tors. theta energy: -68.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -775.618110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.618110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.618110 (E_RNA) where: Base-Base interactions energy: -512.077 where: short stacking energy: -232.247 Base-Backbone interact. energy: -0.888 local terms energy: -262.653899 where: bonds (distance) C4'-P energy: -52.661 bonds (distance) P-C4' energy: -56.664 flat angles C4'-P-C4' energy: -55.776 flat angles P-C4'-P energy: -39.206 tors. eta vs tors. theta energy: -58.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -560.347356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.347356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.347356 (E_RNA) where: Base-Base interactions energy: -320.292 where: short stacking energy: -167.186 Base-Backbone interact. energy: -0.750 local terms energy: -239.305769 where: bonds (distance) C4'-P energy: -45.208 bonds (distance) P-C4' energy: -63.527 flat angles C4'-P-C4' energy: -58.899 flat angles P-C4'-P energy: -36.425 tors. eta vs tors. theta energy: -35.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -454.209741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.209741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.209741 (E_RNA) where: Base-Base interactions energy: -249.509 where: short stacking energy: -123.176 Base-Backbone interact. energy: -0.522 local terms energy: -204.178499 where: bonds (distance) C4'-P energy: -44.614 bonds (distance) P-C4' energy: -57.827 flat angles C4'-P-C4' energy: -53.392 flat angles P-C4'-P energy: -36.707 tors. eta vs tors. theta energy: -11.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -266.574367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.574367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.574367 (E_RNA) where: Base-Base interactions energy: -79.255 where: short stacking energy: -62.257 Base-Backbone interact. energy: -0.427 local terms energy: -186.892179 where: bonds (distance) C4'-P energy: -62.322 bonds (distance) P-C4' energy: -63.583 flat angles C4'-P-C4' energy: -40.411 flat angles P-C4'-P energy: -29.733 tors. eta vs tors. theta energy: 9.157 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: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -247.654258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.654258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.654258 (E_RNA) where: Base-Base interactions energy: -78.316 where: short stacking energy: -64.638 Base-Backbone interact. energy: -1.121 local terms energy: -168.217523 where: bonds (distance) C4'-P energy: -55.320 bonds (distance) P-C4' energy: -49.812 flat angles C4'-P-C4' energy: -55.245 flat angles P-C4'-P energy: -25.801 tors. eta vs tors. theta energy: 17.960 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: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1088.022762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.022762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.022762 (E_RNA) where: Base-Base interactions energy: -753.546 where: short stacking energy: -326.000 Base-Backbone interact. energy: -1.034 local terms energy: -333.442933 where: bonds (distance) C4'-P energy: -68.472 bonds (distance) P-C4' energy: -69.603 flat angles C4'-P-C4' energy: -71.904 flat angles P-C4'-P energy: -30.214 tors. eta vs tors. theta energy: -93.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1026.560707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.560707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.560707 (E_RNA) where: Base-Base interactions energy: -693.002 where: short stacking energy: -309.273 Base-Backbone interact. energy: -1.942 local terms energy: -331.616718 where: bonds (distance) C4'-P energy: -55.492 bonds (distance) P-C4' energy: -58.188 flat angles C4'-P-C4' energy: -74.498 flat angles P-C4'-P energy: -49.302 tors. eta vs tors. theta energy: -94.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1008.201603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.201603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.201603 (E_RNA) where: Base-Base interactions energy: -690.399 where: short stacking energy: -288.601 Base-Backbone interact. energy: -1.696 local terms energy: -316.106372 where: bonds (distance) C4'-P energy: -56.243 bonds (distance) P-C4' energy: -59.283 flat angles C4'-P-C4' energy: -64.653 flat angles P-C4'-P energy: -51.277 tors. eta vs tors. theta energy: -84.652 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: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -970.618298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.618298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.618298 (E_RNA) where: Base-Base interactions energy: -668.958 where: short stacking energy: -272.829 Base-Backbone interact. energy: -1.090 local terms energy: -300.570366 where: bonds (distance) C4'-P energy: -60.417 bonds (distance) P-C4' energy: -57.262 flat angles C4'-P-C4' energy: -63.525 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -72.628 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: 10 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -874.584909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.584909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.584909 (E_RNA) where: Base-Base interactions energy: -567.651 where: short stacking energy: -247.743 Base-Backbone interact. energy: -1.277 local terms energy: -305.656564 where: bonds (distance) C4'-P energy: -53.876 bonds (distance) P-C4' energy: -59.036 flat angles C4'-P-C4' energy: -64.276 flat angles P-C4'-P energy: -57.277 tors. eta vs tors. theta energy: -71.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -707.045294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.045294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.045294 (E_RNA) where: Base-Base interactions energy: -446.999 where: short stacking energy: -197.037 Base-Backbone interact. energy: 0.379 local terms energy: -260.425460 where: bonds (distance) C4'-P energy: -63.983 bonds (distance) P-C4' energy: -58.981 flat angles C4'-P-C4' energy: -57.794 flat angles P-C4'-P energy: -29.698 tors. eta vs tors. theta energy: -49.969 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: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -505.649312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.649312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.649312 (E_RNA) where: Base-Base interactions energy: -312.945 where: short stacking energy: -139.618 Base-Backbone interact. energy: 0.098 local terms energy: -192.802692 where: bonds (distance) C4'-P energy: -49.758 bonds (distance) P-C4' energy: -48.255 flat angles C4'-P-C4' energy: -59.104 flat angles P-C4'-P energy: -22.177 tors. eta vs tors. theta energy: -13.508 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: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -486.609810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.609810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.609810 (E_RNA) where: Base-Base interactions energy: -266.697 where: short stacking energy: -129.295 Base-Backbone interact. energy: -2.023 local terms energy: -217.889732 where: bonds (distance) C4'-P energy: -45.755 bonds (distance) P-C4' energy: -69.156 flat angles C4'-P-C4' energy: -47.249 flat angles P-C4'-P energy: -40.501 tors. eta vs tors. theta energy: -15.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -272.998061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.998061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.998061 (E_RNA) where: Base-Base interactions energy: -101.641 where: short stacking energy: -85.982 Base-Backbone interact. energy: -0.284 local terms energy: -171.072638 where: bonds (distance) C4'-P energy: -58.766 bonds (distance) P-C4' energy: -37.660 flat angles C4'-P-C4' energy: -47.967 flat angles P-C4'-P energy: -27.611 tors. eta vs tors. theta energy: 0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -238.629691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.629691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.629691 (E_RNA) where: Base-Base interactions energy: -96.412 where: short stacking energy: -67.421 Base-Backbone interact. energy: 1.426 local terms energy: -143.643315 where: bonds (distance) C4'-P energy: -55.293 bonds (distance) P-C4' energy: -43.290 flat angles C4'-P-C4' energy: -46.480 flat angles P-C4'-P energy: -13.916 tors. eta vs tors. theta energy: 15.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1100.523287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.523287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.523287 (E_RNA) where: Base-Base interactions energy: -747.763 where: short stacking energy: -333.674 Base-Backbone interact. energy: -0.568 local terms energy: -352.192129 where: bonds (distance) C4'-P energy: -68.260 bonds (distance) P-C4' energy: -61.458 flat angles C4'-P-C4' energy: -69.249 flat angles P-C4'-P energy: -49.069 tors. eta vs tors. theta energy: -104.155 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: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1044.745007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.745007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.745007 (E_RNA) where: Base-Base interactions energy: -698.449 where: short stacking energy: -285.277 Base-Backbone interact. energy: -1.594 local terms energy: -344.701779 where: bonds (distance) C4'-P energy: -67.365 bonds (distance) P-C4' energy: -63.523 flat angles C4'-P-C4' energy: -75.605 flat angles P-C4'-P energy: -51.070 tors. eta vs tors. theta energy: -87.137 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: 5 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -993.199451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.199451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.199451 (E_RNA) where: Base-Base interactions energy: -670.508 where: short stacking energy: -285.933 Base-Backbone interact. energy: -2.454 local terms energy: -320.237360 where: bonds (distance) C4'-P energy: -61.910 bonds (distance) P-C4' energy: -56.343 flat angles C4'-P-C4' energy: -66.921 flat angles P-C4'-P energy: -42.466 tors. eta vs tors. theta energy: -92.597 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: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -956.234222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.234222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.234222 (E_RNA) where: Base-Base interactions energy: -631.248 where: short stacking energy: -265.886 Base-Backbone interact. energy: -1.279 local terms energy: -323.707221 where: bonds (distance) C4'-P energy: -56.570 bonds (distance) P-C4' energy: -66.453 flat angles C4'-P-C4' energy: -76.710 flat angles P-C4'-P energy: -49.985 tors. eta vs tors. theta energy: -73.988 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: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -876.898978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.898978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.898978 (E_RNA) where: Base-Base interactions energy: -584.623 where: short stacking energy: -248.458 Base-Backbone interact. energy: 0.184 local terms energy: -292.459674 where: bonds (distance) C4'-P energy: -56.012 bonds (distance) P-C4' energy: -55.308 flat angles C4'-P-C4' energy: -66.831 flat angles P-C4'-P energy: -37.751 tors. eta vs tors. theta energy: -76.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -722.257180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.257180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.257180 (E_RNA) where: Base-Base interactions energy: -456.744 where: short stacking energy: -190.732 Base-Backbone interact. energy: -2.428 local terms energy: -263.085575 where: bonds (distance) C4'-P energy: -51.560 bonds (distance) P-C4' energy: -57.013 flat angles C4'-P-C4' energy: -63.953 flat angles P-C4'-P energy: -46.363 tors. eta vs tors. theta energy: -44.196 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: 357 Temperature: 1.200000 Total energy: -495.703856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.703856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.703856 (E_RNA) where: Base-Base interactions energy: -255.879 where: short stacking energy: -147.043 Base-Backbone interact. energy: 1.026 local terms energy: -240.850794 where: bonds (distance) C4'-P energy: -53.363 bonds (distance) P-C4' energy: -64.904 flat angles C4'-P-C4' energy: -57.893 flat angles P-C4'-P energy: -36.525 tors. eta vs tors. theta energy: -28.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -515.390349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.390349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.390349 (E_RNA) where: Base-Base interactions energy: -302.336 where: short stacking energy: -165.153 Base-Backbone interact. energy: -2.626 local terms energy: -210.427533 where: bonds (distance) C4'-P energy: -51.501 bonds (distance) P-C4' energy: -56.459 flat angles C4'-P-C4' energy: -47.708 flat angles P-C4'-P energy: -27.343 tors. eta vs tors. theta energy: -27.417 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: 9, replica: 9 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -270.377213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.377213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.377213 (E_RNA) where: Base-Base interactions energy: -98.070 where: short stacking energy: -78.151 Base-Backbone interact. energy: 0.690 local terms energy: -172.997374 where: bonds (distance) C4'-P energy: -50.593 bonds (distance) P-C4' energy: -62.556 flat angles C4'-P-C4' energy: -37.232 flat angles P-C4'-P energy: -32.757 tors. eta vs tors. theta energy: 10.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -315.309234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.309234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.309234 (E_RNA) where: Base-Base interactions energy: -126.921 where: short stacking energy: -72.644 Base-Backbone interact. energy: -1.471 local terms energy: -186.917227 where: bonds (distance) C4'-P energy: -56.192 bonds (distance) P-C4' energy: -62.750 flat angles C4'-P-C4' energy: -38.464 flat angles P-C4'-P energy: -28.882 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1108.671166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.671166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.671166 (E_RNA) where: Base-Base interactions energy: -755.694 where: short stacking energy: -328.024 Base-Backbone interact. energy: -1.052 local terms energy: -351.924890 where: bonds (distance) C4'-P energy: -65.662 bonds (distance) P-C4' energy: -63.511 flat angles C4'-P-C4' energy: -68.836 flat angles P-C4'-P energy: -48.944 tors. eta vs tors. theta energy: -104.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1022.434894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.434894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.434894 (E_RNA) where: Base-Base interactions energy: -689.063 where: short stacking energy: -298.285 Base-Backbone interact. energy: -1.046 local terms energy: -332.325419 where: bonds (distance) C4'-P energy: -58.172 bonds (distance) P-C4' energy: -66.089 flat angles C4'-P-C4' energy: -67.592 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -89.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -981.120061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.120061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.120061 (E_RNA) where: Base-Base interactions energy: -660.326 where: short stacking energy: -266.811 Base-Backbone interact. energy: 0.593 local terms energy: -321.387432 where: bonds (distance) C4'-P energy: -61.370 bonds (distance) P-C4' energy: -57.692 flat angles C4'-P-C4' energy: -71.906 flat angles P-C4'-P energy: -46.386 tors. eta vs tors. theta energy: -84.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -985.162441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.162441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.162441 (E_RNA) where: Base-Base interactions energy: -660.858 where: short stacking energy: -279.528 Base-Backbone interact. energy: 1.167 local terms energy: -325.471884 where: bonds (distance) C4'-P energy: -56.510 bonds (distance) P-C4' energy: -59.219 flat angles C4'-P-C4' energy: -67.701 flat angles P-C4'-P energy: -48.053 tors. eta vs tors. theta energy: -93.989 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: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -873.071356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.071356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.071356 (E_RNA) where: Base-Base interactions energy: -589.925 where: short stacking energy: -244.150 Base-Backbone interact. energy: -1.063 local terms energy: -282.082871 where: bonds (distance) C4'-P energy: -51.820 bonds (distance) P-C4' energy: -61.552 flat angles C4'-P-C4' energy: -51.798 flat angles P-C4'-P energy: -38.527 tors. eta vs tors. theta energy: -78.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -704.784917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.784917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.784917 (E_RNA) where: Base-Base interactions energy: -433.186 where: short stacking energy: -179.602 Base-Backbone interact. energy: -1.018 local terms energy: -270.581406 where: bonds (distance) C4'-P energy: -56.965 bonds (distance) P-C4' energy: -66.217 flat angles C4'-P-C4' energy: -65.456 flat angles P-C4'-P energy: -38.870 tors. eta vs tors. theta energy: -43.072 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: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -526.743251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.743251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.743251 (E_RNA) where: Base-Base interactions energy: -307.264 where: short stacking energy: -154.205 Base-Backbone interact. energy: -0.987 local terms energy: -218.492728 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -63.474 flat angles C4'-P-C4' energy: -54.294 flat angles P-C4'-P energy: -22.939 tors. eta vs tors. theta energy: -19.087 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: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -501.126122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.126122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.126122 (E_RNA) where: Base-Base interactions energy: -280.929 where: short stacking energy: -140.716 Base-Backbone interact. energy: -1.776 local terms energy: -218.421347 where: bonds (distance) C4'-P energy: -45.436 bonds (distance) P-C4' energy: -60.710 flat angles C4'-P-C4' energy: -58.328 flat angles P-C4'-P energy: -31.444 tors. eta vs tors. theta energy: -22.503 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: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -286.616917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.616917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.616917 (E_RNA) where: Base-Base interactions energy: -108.075 where: short stacking energy: -70.886 Base-Backbone interact. energy: -1.193 local terms energy: -177.349700 where: bonds (distance) C4'-P energy: -47.675 bonds (distance) P-C4' energy: -52.730 flat angles C4'-P-C4' energy: -40.433 flat angles P-C4'-P energy: -39.812 tors. eta vs tors. theta energy: 3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -263.703414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.703414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.703414 (E_RNA) where: Base-Base interactions energy: -100.416 where: short stacking energy: -79.662 Base-Backbone interact. energy: -1.146 local terms energy: -162.141917 where: bonds (distance) C4'-P energy: -45.622 bonds (distance) P-C4' energy: -43.641 flat angles C4'-P-C4' energy: -41.384 flat angles P-C4'-P energy: -31.752 tors. eta vs tors. theta energy: 0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1106.932285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.932285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.932285 (E_RNA) where: Base-Base interactions energy: -756.273 where: short stacking energy: -337.332 Base-Backbone interact. energy: -1.200 local terms energy: -349.459792 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -63.239 flat angles C4'-P-C4' energy: -72.886 flat angles P-C4'-P energy: -43.773 tors. eta vs tors. theta energy: -112.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1061.362158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.362158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.362158 (E_RNA) where: Base-Base interactions energy: -715.221 where: short stacking energy: -319.337 Base-Backbone interact. energy: -1.198 local terms energy: -344.942682 where: bonds (distance) C4'-P energy: -69.357 bonds (distance) P-C4' energy: -56.897 flat angles C4'-P-C4' energy: -74.178 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: -97.865 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: 359 Temperature: 1.000000 Total energy: -971.392290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.392290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.392290 (E_RNA) where: Base-Base interactions energy: -663.917 where: short stacking energy: -268.094 Base-Backbone interact. energy: -1.458 local terms energy: -306.017673 where: bonds (distance) C4'-P energy: -57.665 bonds (distance) P-C4' energy: -55.227 flat angles C4'-P-C4' energy: -66.521 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -80.317 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: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -948.971422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.971422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.971422 (E_RNA) where: Base-Base interactions energy: -627.636 where: short stacking energy: -270.410 Base-Backbone interact. energy: -1.134 local terms energy: -320.201443 where: bonds (distance) C4'-P energy: -60.012 bonds (distance) P-C4' energy: -62.882 flat angles C4'-P-C4' energy: -69.355 flat angles P-C4'-P energy: -49.055 tors. eta vs tors. theta energy: -78.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -885.646588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.646588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.646588 (E_RNA) where: Base-Base interactions energy: -586.279 where: short stacking energy: -247.411 Base-Backbone interact. energy: -0.555 local terms energy: -298.812526 where: bonds (distance) C4'-P energy: -58.387 bonds (distance) P-C4' energy: -61.290 flat angles C4'-P-C4' energy: -68.470 flat angles P-C4'-P energy: -37.480 tors. eta vs tors. theta energy: -73.185 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: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -734.738788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.738788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.738788 (E_RNA) where: Base-Base interactions energy: -478.896 where: short stacking energy: -214.979 Base-Backbone interact. energy: 2.090 local terms energy: -257.932514 where: bonds (distance) C4'-P energy: -51.415 bonds (distance) P-C4' energy: -35.197 flat angles C4'-P-C4' energy: -70.152 flat angles P-C4'-P energy: -39.400 tors. eta vs tors. theta energy: -61.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -562.139539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.139539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.139539 (E_RNA) where: Base-Base interactions energy: -320.518 where: short stacking energy: -174.361 Base-Backbone interact. energy: -0.039 local terms energy: -241.582472 where: bonds (distance) C4'-P energy: -63.776 bonds (distance) P-C4' energy: -53.006 flat angles C4'-P-C4' energy: -55.313 flat angles P-C4'-P energy: -41.489 tors. eta vs tors. theta energy: -27.997 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: 8, replica: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -506.252371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.252371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.252371 (E_RNA) where: Base-Base interactions energy: -284.727 where: short stacking energy: -148.090 Base-Backbone interact. energy: -0.652 local terms energy: -220.872522 where: bonds (distance) C4'-P energy: -55.600 bonds (distance) P-C4' energy: -58.842 flat angles C4'-P-C4' energy: -58.747 flat angles P-C4'-P energy: -24.240 tors. eta vs tors. theta energy: -23.443 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: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -286.444895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.444895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.444895 (E_RNA) where: Base-Base interactions energy: -95.451 where: short stacking energy: -76.908 Base-Backbone interact. energy: -0.490 local terms energy: -190.503393 where: bonds (distance) C4'-P energy: -52.726 bonds (distance) P-C4' energy: -54.929 flat angles C4'-P-C4' energy: -49.496 flat angles P-C4'-P energy: -31.779 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -285.440231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.440231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.440231 (E_RNA) where: Base-Base interactions energy: -111.346 where: short stacking energy: -72.353 Base-Backbone interact. energy: -2.096 local terms energy: -171.998447 where: bonds (distance) C4'-P energy: -59.301 bonds (distance) P-C4' energy: -39.118 flat angles C4'-P-C4' energy: -54.787 flat angles P-C4'-P energy: -41.495 tors. eta vs tors. theta energy: 22.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1099.578748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.578748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.578748 (E_RNA) where: Base-Base interactions energy: -741.500 where: short stacking energy: -310.182 Base-Backbone interact. energy: -3.082 local terms energy: -354.996880 where: bonds (distance) C4'-P energy: -58.453 bonds (distance) P-C4' energy: -72.129 flat angles C4'-P-C4' energy: -68.595 flat angles P-C4'-P energy: -49.516 tors. eta vs tors. theta energy: -106.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1015.889316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.889316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.889316 (E_RNA) where: Base-Base interactions energy: -691.862 where: short stacking energy: -290.946 Base-Backbone interact. energy: 0.012 local terms energy: -324.039129 where: bonds (distance) C4'-P energy: -66.500 bonds (distance) P-C4' energy: -64.636 flat angles C4'-P-C4' energy: -61.802 flat angles P-C4'-P energy: -46.593 tors. eta vs tors. theta energy: -84.508 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: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -983.261433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.261433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.261433 (E_RNA) where: Base-Base interactions energy: -658.462 where: short stacking energy: -296.208 Base-Backbone interact. energy: -1.955 local terms energy: -322.844509 where: bonds (distance) C4'-P energy: -63.509 bonds (distance) P-C4' energy: -53.001 flat angles C4'-P-C4' energy: -64.296 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -95.111 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: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -947.754606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.754606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.754606 (E_RNA) where: Base-Base interactions energy: -640.963 where: short stacking energy: -248.674 Base-Backbone interact. energy: -1.696 local terms energy: -305.095507 where: bonds (distance) C4'-P energy: -61.087 bonds (distance) P-C4' energy: -57.274 flat angles C4'-P-C4' energy: -68.794 flat angles P-C4'-P energy: -43.342 tors. eta vs tors. theta energy: -74.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -914.959098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.959098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.959098 (E_RNA) where: Base-Base interactions energy: -609.987 where: short stacking energy: -249.845 Base-Backbone interact. energy: -0.698 local terms energy: -304.274961 where: bonds (distance) C4'-P energy: -52.882 bonds (distance) P-C4' energy: -63.606 flat angles C4'-P-C4' energy: -67.511 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -79.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -720.769635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.769635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.769635 (E_RNA) where: Base-Base interactions energy: -468.599 where: short stacking energy: -201.797 Base-Backbone interact. energy: -1.791 local terms energy: -250.379669 where: bonds (distance) C4'-P energy: -58.815 bonds (distance) P-C4' energy: -46.443 flat angles C4'-P-C4' energy: -59.220 flat angles P-C4'-P energy: -37.241 tors. eta vs tors. theta energy: -48.661 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: 4 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -536.580674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.580674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.580674 (E_RNA) where: Base-Base interactions energy: -318.961 where: short stacking energy: -160.860 Base-Backbone interact. energy: 2.133 local terms energy: -219.752466 where: bonds (distance) C4'-P energy: -51.675 bonds (distance) P-C4' energy: -54.382 flat angles C4'-P-C4' energy: -57.415 flat angles P-C4'-P energy: -35.833 tors. eta vs tors. theta energy: -20.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -490.272080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.272080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.272080 (E_RNA) where: Base-Base interactions energy: -280.768 where: short stacking energy: -148.293 Base-Backbone interact. energy: -0.302 local terms energy: -209.202361 where: bonds (distance) C4'-P energy: -50.830 bonds (distance) P-C4' energy: -58.819 flat angles C4'-P-C4' energy: -60.402 flat angles P-C4'-P energy: -22.318 tors. eta vs tors. theta energy: -16.833 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: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -289.809035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.809035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.809035 (E_RNA) where: Base-Base interactions energy: -104.599 where: short stacking energy: -75.676 Base-Backbone interact. energy: 0.700 local terms energy: -185.909635 where: bonds (distance) C4'-P energy: -48.580 bonds (distance) P-C4' energy: -65.595 flat angles C4'-P-C4' energy: -40.432 flat angles P-C4'-P energy: -26.750 tors. eta vs tors. theta energy: -4.553 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: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -259.603125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.603125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.603125 (E_RNA) where: Base-Base interactions energy: -96.984 where: short stacking energy: -77.904 Base-Backbone interact. energy: -0.948 local terms energy: -161.671464 where: bonds (distance) C4'-P energy: -59.660 bonds (distance) P-C4' energy: -47.089 flat angles C4'-P-C4' energy: -42.079 flat angles P-C4'-P energy: -13.614 tors. eta vs tors. theta energy: 0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1098.546320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.546320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.546320 (E_RNA) where: Base-Base interactions energy: -749.532 where: short stacking energy: -318.819 Base-Backbone interact. energy: -2.538 local terms energy: -346.476336 where: bonds (distance) C4'-P energy: -56.321 bonds (distance) P-C4' energy: -61.860 flat angles C4'-P-C4' energy: -78.146 flat angles P-C4'-P energy: -47.670 tors. eta vs tors. theta energy: -102.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1016.639842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.639842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.639842 (E_RNA) where: Base-Base interactions energy: -679.943 where: short stacking energy: -289.419 Base-Backbone interact. energy: -0.666 local terms energy: -336.031004 where: bonds (distance) C4'-P energy: -55.723 bonds (distance) P-C4' energy: -64.936 flat angles C4'-P-C4' energy: -77.397 flat angles P-C4'-P energy: -44.660 tors. eta vs tors. theta energy: -93.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -962.078057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.078057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.078057 (E_RNA) where: Base-Base interactions energy: -668.747 where: short stacking energy: -302.315 Base-Backbone interact. energy: -0.596 local terms energy: -292.735301 where: bonds (distance) C4'-P energy: -50.520 bonds (distance) P-C4' energy: -51.370 flat angles C4'-P-C4' energy: -64.612 flat angles P-C4'-P energy: -39.294 tors. eta vs tors. theta energy: -86.939 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: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -947.838666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.838666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.838666 (E_RNA) where: Base-Base interactions energy: -647.082 where: short stacking energy: -278.246 Base-Backbone interact. energy: -0.463 local terms energy: -300.293338 where: bonds (distance) C4'-P energy: -55.334 bonds (distance) P-C4' energy: -48.410 flat angles C4'-P-C4' energy: -65.628 flat angles P-C4'-P energy: -50.538 tors. eta vs tors. theta energy: -80.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -897.980938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.980938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.980938 (E_RNA) where: Base-Base interactions energy: -618.720 where: short stacking energy: -245.689 Base-Backbone interact. energy: -0.638 local terms energy: -278.623005 where: bonds (distance) C4'-P energy: -51.313 bonds (distance) P-C4' energy: -53.170 flat angles C4'-P-C4' energy: -68.117 flat angles P-C4'-P energy: -35.517 tors. eta vs tors. theta energy: -70.505 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: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -734.335610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.335610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.335610 (E_RNA) where: Base-Base interactions energy: -476.682 where: short stacking energy: -191.516 Base-Backbone interact. energy: -0.357 local terms energy: -257.297152 where: bonds (distance) C4'-P energy: -53.753 bonds (distance) P-C4' energy: -57.815 flat angles C4'-P-C4' energy: -67.636 flat angles P-C4'-P energy: -31.398 tors. eta vs tors. theta energy: -46.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -524.257333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.257333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.257333 (E_RNA) where: Base-Base interactions energy: -306.110 where: short stacking energy: -135.801 Base-Backbone interact. energy: 1.250 local terms energy: -219.397728 where: bonds (distance) C4'-P energy: -50.687 bonds (distance) P-C4' energy: -60.752 flat angles C4'-P-C4' energy: -45.990 flat angles P-C4'-P energy: -39.800 tors. eta vs tors. theta energy: -22.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -493.430776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.430776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.430776 (E_RNA) where: Base-Base interactions energy: -286.985 where: short stacking energy: -143.034 Base-Backbone interact. energy: 1.483 local terms energy: -207.928650 where: bonds (distance) C4'-P energy: -36.761 bonds (distance) P-C4' energy: -54.006 flat angles C4'-P-C4' energy: -64.231 flat angles P-C4'-P energy: -21.209 tors. eta vs tors. theta energy: -31.722 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: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -301.474943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.474943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.474943 (E_RNA) where: Base-Base interactions energy: -98.952 where: short stacking energy: -79.575 Base-Backbone interact. energy: -2.167 local terms energy: -200.355638 where: bonds (distance) C4'-P energy: -62.273 bonds (distance) P-C4' energy: -65.508 flat angles C4'-P-C4' energy: -52.371 flat angles P-C4'-P energy: -27.940 tors. eta vs tors. theta energy: 7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -256.513932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.513932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.513932 (E_RNA) where: Base-Base interactions energy: -73.062 where: short stacking energy: -67.260 Base-Backbone interact. energy: -1.294 local terms energy: -182.157437 where: bonds (distance) C4'-P energy: -55.515 bonds (distance) P-C4' energy: -59.826 flat angles C4'-P-C4' energy: -47.563 flat angles P-C4'-P energy: -28.976 tors. eta vs tors. theta energy: 9.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1125.414751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.414751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.414751 (E_RNA) where: Base-Base interactions energy: -758.707 where: short stacking energy: -335.260 Base-Backbone interact. energy: 1.449 local terms energy: -368.156923 where: bonds (distance) C4'-P energy: -58.670 bonds (distance) P-C4' energy: -69.623 flat angles C4'-P-C4' energy: -73.481 flat angles P-C4'-P energy: -55.418 tors. eta vs tors. theta energy: -110.965 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: 2, replica: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1022.526005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.526005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.526005 (E_RNA) where: Base-Base interactions energy: -679.585 where: short stacking energy: -283.094 Base-Backbone interact. energy: -1.734 local terms energy: -341.206831 where: bonds (distance) C4'-P energy: -67.119 bonds (distance) P-C4' energy: -63.986 flat angles C4'-P-C4' energy: -76.112 flat angles P-C4'-P energy: -44.806 tors. eta vs tors. theta energy: -89.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1001.325123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.325123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.325123 (E_RNA) where: Base-Base interactions energy: -686.107 where: short stacking energy: -295.832 Base-Backbone interact. energy: -0.926 local terms energy: -314.292081 where: bonds (distance) C4'-P energy: -58.989 bonds (distance) P-C4' energy: -59.686 flat angles C4'-P-C4' energy: -65.381 flat angles P-C4'-P energy: -42.655 tors. eta vs tors. theta energy: -87.582 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: 4, replica: 5 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -932.797442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.797442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.797442 (E_RNA) where: Base-Base interactions energy: -638.483 where: short stacking energy: -270.277 Base-Backbone interact. energy: -0.102 local terms energy: -294.211967 where: bonds (distance) C4'-P energy: -57.494 bonds (distance) P-C4' energy: -57.940 flat angles C4'-P-C4' energy: -62.318 flat angles P-C4'-P energy: -38.336 tors. eta vs tors. theta energy: -78.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -898.863053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.863053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.863053 (E_RNA) where: Base-Base interactions energy: -606.989 where: short stacking energy: -264.596 Base-Backbone interact. energy: 1.186 local terms energy: -293.059674 where: bonds (distance) C4'-P energy: -51.146 bonds (distance) P-C4' energy: -53.759 flat angles C4'-P-C4' energy: -66.016 flat angles P-C4'-P energy: -46.062 tors. eta vs tors. theta energy: -76.076 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: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -705.032692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.032692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.032692 (E_RNA) where: Base-Base interactions energy: -448.736 where: short stacking energy: -186.622 Base-Backbone interact. energy: -1.253 local terms energy: -255.043397 where: bonds (distance) C4'-P energy: -53.471 bonds (distance) P-C4' energy: -69.969 flat angles C4'-P-C4' energy: -49.256 flat angles P-C4'-P energy: -27.825 tors. eta vs tors. theta energy: -54.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -529.585143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.585143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.585143 (E_RNA) where: Base-Base interactions energy: -286.452 where: short stacking energy: -161.943 Base-Backbone interact. energy: -0.569 local terms energy: -242.563809 where: bonds (distance) C4'-P energy: -56.421 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -58.182 flat angles P-C4'-P energy: -34.448 tors. eta vs tors. theta energy: -35.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -497.567718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.567718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.567718 (E_RNA) where: Base-Base interactions energy: -281.135 where: short stacking energy: -128.394 Base-Backbone interact. energy: -0.169 local terms energy: -216.264107 where: bonds (distance) C4'-P energy: -45.214 bonds (distance) P-C4' energy: -56.920 flat angles C4'-P-C4' energy: -56.382 flat angles P-C4'-P energy: -34.587 tors. eta vs tors. theta energy: -23.162 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: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -299.639803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.639803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.639803 (E_RNA) where: Base-Base interactions energy: -112.055 where: short stacking energy: -79.616 Base-Backbone interact. energy: -2.605 local terms energy: -184.980273 where: bonds (distance) C4'-P energy: -47.459 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -43.258 flat angles P-C4'-P energy: -24.273 tors. eta vs tors. theta energy: -12.574 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: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -259.133297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.133297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.133297 (E_RNA) where: Base-Base interactions energy: -100.589 where: short stacking energy: -82.632 Base-Backbone interact. energy: -0.928 local terms energy: -157.616325 where: bonds (distance) C4'-P energy: -45.447 bonds (distance) P-C4' energy: -50.414 flat angles C4'-P-C4' energy: -49.229 flat angles P-C4'-P energy: -24.357 tors. eta vs tors. theta energy: 11.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1110.304770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.304770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.304770 (E_RNA) where: Base-Base interactions energy: -749.526 where: short stacking energy: -335.900 Base-Backbone interact. energy: 1.287 local terms energy: -362.065982 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -68.455 flat angles C4'-P-C4' energy: -72.919 flat angles P-C4'-P energy: -51.392 tors. eta vs tors. theta energy: -110.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1012.479978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.479978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.479978 (E_RNA) where: Base-Base interactions energy: -675.877 where: short stacking energy: -290.155 Base-Backbone interact. energy: -0.452 local terms energy: -336.151629 where: bonds (distance) C4'-P energy: -64.270 bonds (distance) P-C4' energy: -68.517 flat angles C4'-P-C4' energy: -65.036 flat angles P-C4'-P energy: -50.037 tors. eta vs tors. theta energy: -88.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1015.823189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.823189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.823189 (E_RNA) where: Base-Base interactions energy: -673.425 where: short stacking energy: -276.730 Base-Backbone interact. energy: -1.637 local terms energy: -340.762055 where: bonds (distance) C4'-P energy: -66.141 bonds (distance) P-C4' energy: -63.020 flat angles C4'-P-C4' energy: -67.427 flat angles P-C4'-P energy: -47.386 tors. eta vs tors. theta energy: -96.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -932.102524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.102524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.102524 (E_RNA) where: Base-Base interactions energy: -628.823 where: short stacking energy: -274.886 Base-Backbone interact. energy: -0.818 local terms energy: -302.461113 where: bonds (distance) C4'-P energy: -56.646 bonds (distance) P-C4' energy: -56.486 flat angles C4'-P-C4' energy: -69.729 flat angles P-C4'-P energy: -43.692 tors. eta vs tors. theta energy: -75.908 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: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -878.090781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.090781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.090781 (E_RNA) where: Base-Base interactions energy: -586.065 where: short stacking energy: -254.297 Base-Backbone interact. energy: -1.607 local terms energy: -290.418523 where: bonds (distance) C4'-P energy: -54.614 bonds (distance) P-C4' energy: -54.840 flat angles C4'-P-C4' energy: -66.623 flat angles P-C4'-P energy: -42.156 tors. eta vs tors. theta energy: -72.185 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: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -722.974730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.974730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.974730 (E_RNA) where: Base-Base interactions energy: -476.604 where: short stacking energy: -202.052 Base-Backbone interact. energy: 0.582 local terms energy: -246.953595 where: bonds (distance) C4'-P energy: -57.903 bonds (distance) P-C4' energy: -50.593 flat angles C4'-P-C4' energy: -53.902 flat angles P-C4'-P energy: -33.137 tors. eta vs tors. theta energy: -51.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -509.403474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.403474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.403474 (E_RNA) where: Base-Base interactions energy: -289.623 where: short stacking energy: -148.404 Base-Backbone interact. energy: -2.169 local terms energy: -217.611736 where: bonds (distance) C4'-P energy: -56.469 bonds (distance) P-C4' energy: -54.409 flat angles C4'-P-C4' energy: -44.632 flat angles P-C4'-P energy: -31.331 tors. eta vs tors. theta energy: -30.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -486.254526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.254526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.254526 (E_RNA) where: Base-Base interactions energy: -273.327 where: short stacking energy: -151.891 Base-Backbone interact. energy: 1.917 local terms energy: -214.844687 where: bonds (distance) C4'-P energy: -56.131 bonds (distance) P-C4' energy: -57.573 flat angles C4'-P-C4' energy: -48.190 flat angles P-C4'-P energy: -30.873 tors. eta vs tors. theta energy: -22.077 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: 9 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -293.873384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.873384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.873384 (E_RNA) where: Base-Base interactions energy: -107.248 where: short stacking energy: -82.815 Base-Backbone interact. energy: -0.891 local terms energy: -185.733955 where: bonds (distance) C4'-P energy: -56.680 bonds (distance) P-C4' energy: -48.456 flat angles C4'-P-C4' energy: -51.218 flat angles P-C4'-P energy: -21.389 tors. eta vs tors. theta energy: -7.991 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: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -314.025939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.025939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.025939 (E_RNA) where: Base-Base interactions energy: -139.794 where: short stacking energy: -78.010 Base-Backbone interact. energy: -0.537 local terms energy: -173.695053 where: bonds (distance) C4'-P energy: -46.750 bonds (distance) P-C4' energy: -47.502 flat angles C4'-P-C4' energy: -46.537 flat angles P-C4'-P energy: -36.582 tors. eta vs tors. theta energy: 3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1121.695474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.695474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.695474 (E_RNA) where: Base-Base interactions energy: -755.426 where: short stacking energy: -323.104 Base-Backbone interact. energy: -0.631 local terms energy: -365.637484 where: bonds (distance) C4'-P energy: -64.582 bonds (distance) P-C4' energy: -70.319 flat angles C4'-P-C4' energy: -72.354 flat angles P-C4'-P energy: -52.803 tors. eta vs tors. theta energy: -105.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1017.207991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.207991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.207991 (E_RNA) where: Base-Base interactions energy: -682.687 where: short stacking energy: -281.960 Base-Backbone interact. energy: -0.381 local terms energy: -334.139802 where: bonds (distance) C4'-P energy: -59.976 bonds (distance) P-C4' energy: -67.000 flat angles C4'-P-C4' energy: -68.696 flat angles P-C4'-P energy: -48.611 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: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1022.724968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.724968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.724968 (E_RNA) where: Base-Base interactions energy: -697.636 where: short stacking energy: -291.940 Base-Backbone interact. energy: -1.066 local terms energy: -324.023684 where: bonds (distance) C4'-P energy: -65.100 bonds (distance) P-C4' energy: -57.857 flat angles C4'-P-C4' energy: -66.389 flat angles P-C4'-P energy: -41.767 tors. eta vs tors. theta energy: -92.911 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: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -957.481541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.481541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.481541 (E_RNA) where: Base-Base interactions energy: -634.904 where: short stacking energy: -277.052 Base-Backbone interact. energy: -0.745 local terms energy: -321.832064 where: bonds (distance) C4'-P energy: -54.602 bonds (distance) P-C4' energy: -64.205 flat angles C4'-P-C4' energy: -64.121 flat angles P-C4'-P energy: -42.952 tors. eta vs tors. theta energy: -95.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -827.193385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.193385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.193385 (E_RNA) where: Base-Base interactions energy: -559.081 where: short stacking energy: -237.455 Base-Backbone interact. energy: -1.174 local terms energy: -266.938253 where: bonds (distance) C4'-P energy: -45.276 bonds (distance) P-C4' energy: -53.084 flat angles C4'-P-C4' energy: -66.006 flat angles P-C4'-P energy: -38.613 tors. eta vs tors. theta energy: -63.959 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: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -769.642772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.642772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.642772 (E_RNA) where: Base-Base interactions energy: -475.175 where: short stacking energy: -206.013 Base-Backbone interact. energy: -0.959 local terms energy: -293.508601 where: bonds (distance) C4'-P energy: -58.065 bonds (distance) P-C4' energy: -62.633 flat angles C4'-P-C4' energy: -64.605 flat angles P-C4'-P energy: -52.547 tors. eta vs tors. theta energy: -55.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -512.604934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.604934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.604934 (E_RNA) where: Base-Base interactions energy: -289.803 where: short stacking energy: -169.025 Base-Backbone interact. energy: -0.577 local terms energy: -222.224947 where: bonds (distance) C4'-P energy: -54.383 bonds (distance) P-C4' energy: -57.917 flat angles C4'-P-C4' energy: -48.671 flat angles P-C4'-P energy: -27.606 tors. eta vs tors. theta energy: -33.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -483.661974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.661974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.661974 (E_RNA) where: Base-Base interactions energy: -275.390 where: short stacking energy: -122.611 Base-Backbone interact. energy: -1.931 local terms energy: -206.341055 where: bonds (distance) C4'-P energy: -54.026 bonds (distance) P-C4' energy: -56.687 flat angles C4'-P-C4' energy: -51.901 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -6.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -276.706975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.706975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.706975 (E_RNA) where: Base-Base interactions energy: -118.117 where: short stacking energy: -72.820 Base-Backbone interact. energy: -1.378 local terms energy: -157.212144 where: bonds (distance) C4'-P energy: -42.235 bonds (distance) P-C4' energy: -64.835 flat angles C4'-P-C4' energy: -45.535 flat angles P-C4'-P energy: -18.034 tors. eta vs tors. theta energy: 13.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -260.246656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.246656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.246656 (E_RNA) where: Base-Base interactions energy: -70.651 where: short stacking energy: -63.159 Base-Backbone interact. energy: 0.479 local terms energy: -190.075290 where: bonds (distance) C4'-P energy: -70.060 bonds (distance) P-C4' energy: -59.214 flat angles C4'-P-C4' energy: -51.290 flat angles P-C4'-P energy: -24.221 tors. eta vs tors. theta energy: 14.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1107.863285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.863285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.863285 (E_RNA) where: Base-Base interactions energy: -742.695 where: short stacking energy: -339.195 Base-Backbone interact. energy: -1.564 local terms energy: -363.604451 where: bonds (distance) C4'-P energy: -57.665 bonds (distance) P-C4' energy: -63.172 flat angles C4'-P-C4' energy: -68.416 flat angles P-C4'-P energy: -57.289 tors. eta vs tors. theta energy: -117.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1049.974599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.974599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.974599 (E_RNA) where: Base-Base interactions energy: -707.220 where: short stacking energy: -292.739 Base-Backbone interact. energy: 0.077 local terms energy: -342.832141 where: bonds (distance) C4'-P energy: -54.869 bonds (distance) P-C4' energy: -67.936 flat angles C4'-P-C4' energy: -77.769 flat angles P-C4'-P energy: -46.847 tors. eta vs tors. theta energy: -95.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1012.547254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.547254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.547254 (E_RNA) where: Base-Base interactions energy: -678.417 where: short stacking energy: -273.451 Base-Backbone interact. energy: -1.174 local terms energy: -332.956380 where: bonds (distance) C4'-P energy: -60.812 bonds (distance) P-C4' energy: -67.742 flat angles C4'-P-C4' energy: -66.777 flat angles P-C4'-P energy: -46.806 tors. eta vs tors. theta energy: -90.820 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: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -950.229394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.229394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.229394 (E_RNA) where: Base-Base interactions energy: -634.835 where: short stacking energy: -276.209 Base-Backbone interact. energy: -0.111 local terms energy: -315.283321 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -65.326 flat angles C4'-P-C4' energy: -62.882 flat angles P-C4'-P energy: -42.949 tors. eta vs tors. theta energy: -83.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -808.886083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.886083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.886083 (E_RNA) where: Base-Base interactions energy: -554.838 where: short stacking energy: -247.735 Base-Backbone interact. energy: -2.509 local terms energy: -251.538256 where: bonds (distance) C4'-P energy: -50.603 bonds (distance) P-C4' energy: -42.439 flat angles C4'-P-C4' energy: -54.079 flat angles P-C4'-P energy: -42.674 tors. eta vs tors. theta energy: -61.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -741.894898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.894898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.894898 (E_RNA) where: Base-Base interactions energy: -475.451 where: short stacking energy: -208.505 Base-Backbone interact. energy: -1.562 local terms energy: -264.881617 where: bonds (distance) C4'-P energy: -58.398 bonds (distance) P-C4' energy: -55.371 flat angles C4'-P-C4' energy: -66.862 flat angles P-C4'-P energy: -33.507 tors. eta vs tors. theta energy: -50.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -495.195458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.195458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.195458 (E_RNA) where: Base-Base interactions energy: -258.530 where: short stacking energy: -139.984 Base-Backbone interact. energy: -2.377 local terms energy: -234.288114 where: bonds (distance) C4'-P energy: -57.525 bonds (distance) P-C4' energy: -53.236 flat angles C4'-P-C4' energy: -67.353 flat angles P-C4'-P energy: -41.632 tors. eta vs tors. theta energy: -14.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -518.828957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.828957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.828957 (E_RNA) where: Base-Base interactions energy: -299.062 where: short stacking energy: -149.539 Base-Backbone interact. energy: 2.202 local terms energy: -221.969335 where: bonds (distance) C4'-P energy: -54.939 bonds (distance) P-C4' energy: -54.933 flat angles C4'-P-C4' energy: -46.109 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: -24.662 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: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -277.693713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.693713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.693713 (E_RNA) where: Base-Base interactions energy: -104.929 where: short stacking energy: -82.872 Base-Backbone interact. energy: 2.294 local terms energy: -175.058393 where: bonds (distance) C4'-P energy: -51.269 bonds (distance) P-C4' energy: -47.832 flat angles C4'-P-C4' energy: -52.716 flat angles P-C4'-P energy: -33.089 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: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -256.262864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.262864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.262864 (E_RNA) where: Base-Base interactions energy: -85.431 where: short stacking energy: -65.897 Base-Backbone interact. energy: -0.813 local terms energy: -170.018780 where: bonds (distance) C4'-P energy: -42.172 bonds (distance) P-C4' energy: -59.402 flat angles C4'-P-C4' energy: -38.475 flat angles P-C4'-P energy: -31.363 tors. eta vs tors. theta energy: 1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1058.684578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.684578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.684578 (E_RNA) where: Base-Base interactions energy: -708.796 where: short stacking energy: -308.612 Base-Backbone interact. energy: 0.453 local terms energy: -350.341340 where: bonds (distance) C4'-P energy: -62.881 bonds (distance) P-C4' energy: -65.672 flat angles C4'-P-C4' energy: -72.781 flat angles P-C4'-P energy: -52.451 tors. eta vs tors. theta energy: -96.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1098.503079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.503079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.503079 (E_RNA) where: Base-Base interactions energy: -757.022 where: short stacking energy: -333.116 Base-Backbone interact. energy: -0.913 local terms energy: -340.568499 where: bonds (distance) C4'-P energy: -53.248 bonds (distance) P-C4' energy: -67.575 flat angles C4'-P-C4' energy: -67.184 flat angles P-C4'-P energy: -43.668 tors. eta vs tors. theta energy: -108.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1004.332803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.332803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.332803 (E_RNA) where: Base-Base interactions energy: -680.370 where: short stacking energy: -266.392 Base-Backbone interact. energy: -0.814 local terms energy: -323.148757 where: bonds (distance) C4'-P energy: -60.219 bonds (distance) P-C4' energy: -56.979 flat angles C4'-P-C4' energy: -64.338 flat angles P-C4'-P energy: -51.618 tors. eta vs tors. theta energy: -89.994 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: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -933.496317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.496317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.496317 (E_RNA) where: Base-Base interactions energy: -627.259 where: short stacking energy: -284.975 Base-Backbone interact. energy: -1.073 local terms energy: -305.163726 where: bonds (distance) C4'-P energy: -51.138 bonds (distance) P-C4' energy: -55.459 flat angles C4'-P-C4' energy: -66.556 flat angles P-C4'-P energy: -52.482 tors. eta vs tors. theta energy: -79.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -865.940654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.940654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.940654 (E_RNA) where: Base-Base interactions energy: -597.628 where: short stacking energy: -246.588 Base-Backbone interact. energy: -0.890 local terms energy: -267.422368 where: bonds (distance) C4'-P energy: -48.560 bonds (distance) P-C4' energy: -54.092 flat angles C4'-P-C4' energy: -54.684 flat angles P-C4'-P energy: -40.070 tors. eta vs tors. theta energy: -70.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -738.882245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.882245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.882245 (E_RNA) where: Base-Base interactions energy: -475.340 where: short stacking energy: -204.127 Base-Backbone interact. energy: -1.071 local terms energy: -262.471441 where: bonds (distance) C4'-P energy: -56.301 bonds (distance) P-C4' energy: -58.392 flat angles C4'-P-C4' energy: -58.977 flat angles P-C4'-P energy: -35.543 tors. eta vs tors. theta energy: -53.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -524.066429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.066429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.066429 (E_RNA) where: Base-Base interactions energy: -285.354 where: short stacking energy: -154.729 Base-Backbone interact. energy: -1.406 local terms energy: -237.306799 where: bonds (distance) C4'-P energy: -52.830 bonds (distance) P-C4' energy: -58.080 flat angles C4'-P-C4' energy: -56.662 flat angles P-C4'-P energy: -45.276 tors. eta vs tors. theta energy: -24.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -498.813172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.813172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.813172 (E_RNA) where: Base-Base interactions energy: -271.906 where: short stacking energy: -139.676 Base-Backbone interact. energy: 1.088 local terms energy: -227.995783 where: bonds (distance) C4'-P energy: -58.269 bonds (distance) P-C4' energy: -53.943 flat angles C4'-P-C4' energy: -49.969 flat angles P-C4'-P energy: -41.385 tors. eta vs tors. theta energy: -24.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -270.628833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.628833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.628833 (E_RNA) where: Base-Base interactions energy: -110.234 where: short stacking energy: -94.724 Base-Backbone interact. energy: 1.194 local terms energy: -161.588899 where: bonds (distance) C4'-P energy: -49.269 bonds (distance) P-C4' energy: -48.872 flat angles C4'-P-C4' energy: -34.334 flat angles P-C4'-P energy: -34.646 tors. eta vs tors. theta energy: 5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -271.400866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.400866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.400866 (E_RNA) where: Base-Base interactions energy: -96.883 where: short stacking energy: -77.515 Base-Backbone interact. energy: -0.793 local terms energy: -173.725348 where: bonds (distance) C4'-P energy: -49.261 bonds (distance) P-C4' energy: -49.872 flat angles C4'-P-C4' energy: -51.775 flat angles P-C4'-P energy: -19.733 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1072.720021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.720021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.720021 (E_RNA) where: Base-Base interactions energy: -717.048 where: short stacking energy: -326.525 Base-Backbone interact. energy: -0.905 local terms energy: -354.766432 where: bonds (distance) C4'-P energy: -69.055 bonds (distance) P-C4' energy: -64.967 flat angles C4'-P-C4' energy: -76.307 flat angles P-C4'-P energy: -46.509 tors. eta vs tors. theta energy: -97.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1109.068552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.068552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.068552 (E_RNA) where: Base-Base interactions energy: -758.181 where: short stacking energy: -340.568 Base-Backbone interact. energy: -1.729 local terms energy: -349.159065 where: bonds (distance) C4'-P energy: -59.714 bonds (distance) P-C4' energy: -60.996 flat angles C4'-P-C4' energy: -67.658 flat angles P-C4'-P energy: -53.105 tors. eta vs tors. theta energy: -107.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -995.038754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.038754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.038754 (E_RNA) where: Base-Base interactions energy: -667.485 where: short stacking energy: -285.522 Base-Backbone interact. energy: -1.064 local terms energy: -326.489977 where: bonds (distance) C4'-P energy: -60.317 bonds (distance) P-C4' energy: -62.145 flat angles C4'-P-C4' energy: -71.413 flat angles P-C4'-P energy: -41.414 tors. eta vs tors. theta energy: -91.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -887.676778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.676778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.676778 (E_RNA) where: Base-Base interactions energy: -591.291 where: short stacking energy: -246.931 Base-Backbone interact. energy: -0.530 local terms energy: -295.856490 where: bonds (distance) C4'-P energy: -56.068 bonds (distance) P-C4' energy: -66.164 flat angles C4'-P-C4' energy: -65.919 flat angles P-C4'-P energy: -32.685 tors. eta vs tors. theta energy: -75.021 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: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -872.047390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.047390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.047390 (E_RNA) where: Base-Base interactions energy: -577.707 where: short stacking energy: -239.659 Base-Backbone interact. energy: -1.650 local terms energy: -292.690347 where: bonds (distance) C4'-P energy: -63.636 bonds (distance) P-C4' energy: -54.094 flat angles C4'-P-C4' energy: -66.157 flat angles P-C4'-P energy: -39.698 tors. eta vs tors. theta energy: -69.104 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: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -732.830641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.830641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.830641 (E_RNA) where: Base-Base interactions energy: -465.551 where: short stacking energy: -205.974 Base-Backbone interact. energy: -1.719 local terms energy: -265.561289 where: bonds (distance) C4'-P energy: -59.289 bonds (distance) P-C4' energy: -59.177 flat angles C4'-P-C4' energy: -60.928 flat angles P-C4'-P energy: -32.016 tors. eta vs tors. theta energy: -54.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -517.299704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.299704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.299704 (E_RNA) where: Base-Base interactions energy: -316.361 where: short stacking energy: -144.929 Base-Backbone interact. energy: -0.392 local terms energy: -200.546456 where: bonds (distance) C4'-P energy: -61.574 bonds (distance) P-C4' energy: -51.998 flat angles C4'-P-C4' energy: -45.596 flat angles P-C4'-P energy: -29.761 tors. eta vs tors. theta energy: -11.618 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: 6 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -473.565340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.565340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.565340 (E_RNA) where: Base-Base interactions energy: -286.699 where: short stacking energy: -125.209 Base-Backbone interact. energy: 9.532 local terms energy: -196.398225 where: bonds (distance) C4'-P energy: -42.651 bonds (distance) P-C4' energy: -65.233 flat angles C4'-P-C4' energy: -41.964 flat angles P-C4'-P energy: -29.799 tors. eta vs tors. theta energy: -16.752 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: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -292.074038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.074038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.074038 (E_RNA) where: Base-Base interactions energy: -93.342 where: short stacking energy: -83.239 Base-Backbone interact. energy: 1.281 local terms energy: -200.013344 where: bonds (distance) C4'-P energy: -55.994 bonds (distance) P-C4' energy: -69.919 flat angles C4'-P-C4' energy: -40.625 flat angles P-C4'-P energy: -37.203 tors. eta vs tors. theta energy: 3.728 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: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -260.627101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.627101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.627101 (E_RNA) where: Base-Base interactions energy: -83.782 where: short stacking energy: -69.250 Base-Backbone interact. energy: -1.209 local terms energy: -175.636661 where: bonds (distance) C4'-P energy: -49.186 bonds (distance) P-C4' energy: -55.647 flat angles C4'-P-C4' energy: -44.941 flat angles P-C4'-P energy: -32.097 tors. eta vs tors. theta energy: 6.235 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: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1112.502031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.502031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.502031 (E_RNA) where: Base-Base interactions energy: -759.630 where: short stacking energy: -337.085 Base-Backbone interact. energy: -1.351 local terms energy: -351.520267 where: bonds (distance) C4'-P energy: -62.059 bonds (distance) P-C4' energy: -58.726 flat angles C4'-P-C4' energy: -79.949 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -104.759 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: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1027.358541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.358541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.358541 (E_RNA) where: Base-Base interactions energy: -705.618 where: short stacking energy: -296.044 Base-Backbone interact. energy: 0.280 local terms energy: -322.020175 where: bonds (distance) C4'-P energy: -59.930 bonds (distance) P-C4' energy: -62.085 flat angles C4'-P-C4' energy: -65.120 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: -91.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -982.495836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.495836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.495836 (E_RNA) where: Base-Base interactions energy: -672.625 where: short stacking energy: -285.553 Base-Backbone interact. energy: 1.741 local terms energy: -311.612198 where: bonds (distance) C4'-P energy: -53.199 bonds (distance) P-C4' energy: -64.453 flat angles C4'-P-C4' energy: -57.092 flat angles P-C4'-P energy: -45.454 tors. eta vs tors. theta energy: -91.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -869.933270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.933270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.933270 (E_RNA) where: Base-Base interactions energy: -569.141 where: short stacking energy: -236.215 Base-Backbone interact. energy: -1.140 local terms energy: -299.652803 where: bonds (distance) C4'-P energy: -65.113 bonds (distance) P-C4' energy: -53.679 flat angles C4'-P-C4' energy: -64.924 flat angles P-C4'-P energy: -38.512 tors. eta vs tors. theta energy: -77.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -865.002013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.002013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.002013 (E_RNA) where: Base-Base interactions energy: -566.699 where: short stacking energy: -260.430 Base-Backbone interact. energy: -0.076 local terms energy: -298.226676 where: bonds (distance) C4'-P energy: -59.445 bonds (distance) P-C4' energy: -47.208 flat angles C4'-P-C4' energy: -68.667 flat angles P-C4'-P energy: -42.329 tors. eta vs tors. theta energy: -80.577 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: 368 Temperature: 1.150000 Total energy: -745.302984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.302984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.302984 (E_RNA) where: Base-Base interactions energy: -484.972 where: short stacking energy: -224.157 Base-Backbone interact. energy: 1.983 local terms energy: -262.313615 where: bonds (distance) C4'-P energy: -55.690 bonds (distance) P-C4' energy: -49.323 flat angles C4'-P-C4' energy: -59.744 flat angles P-C4'-P energy: -36.346 tors. eta vs tors. theta energy: -61.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -504.092566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.092566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.092566 (E_RNA) where: Base-Base interactions energy: -279.008 where: short stacking energy: -138.426 Base-Backbone interact. energy: -0.679 local terms energy: -224.405683 where: bonds (distance) C4'-P energy: -58.189 bonds (distance) P-C4' energy: -58.297 flat angles C4'-P-C4' energy: -51.667 flat angles P-C4'-P energy: -29.333 tors. eta vs tors. theta energy: -26.920 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: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -478.875794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.875794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.875794 (E_RNA) where: Base-Base interactions energy: -242.792 where: short stacking energy: -127.158 Base-Backbone interact. energy: -0.628 local terms energy: -235.456369 where: bonds (distance) C4'-P energy: -66.184 bonds (distance) P-C4' energy: -63.096 flat angles C4'-P-C4' energy: -59.146 flat angles P-C4'-P energy: -32.978 tors. eta vs tors. theta energy: -14.053 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: 9, replica: 9 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -283.864859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.864859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.864859 (E_RNA) where: Base-Base interactions energy: -82.042 where: short stacking energy: -75.584 Base-Backbone interact. energy: 0.722 local terms energy: -202.545037 where: bonds (distance) C4'-P energy: -64.430 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -61.430 flat angles P-C4'-P energy: -18.678 tors. eta vs tors. theta energy: 0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -252.382970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.382970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.382970 (E_RNA) where: Base-Base interactions energy: -85.721 where: short stacking energy: -63.206 Base-Backbone interact. energy: -0.355 local terms energy: -166.307253 where: bonds (distance) C4'-P energy: -51.417 bonds (distance) P-C4' energy: -57.739 flat angles C4'-P-C4' energy: -50.361 flat angles P-C4'-P energy: -25.355 tors. eta vs tors. theta energy: 18.565 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: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1115.048462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.048462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.048462 (E_RNA) where: Base-Base interactions energy: -746.652 where: short stacking energy: -336.748 Base-Backbone interact. energy: -0.298 local terms energy: -368.097869 where: bonds (distance) C4'-P energy: -58.754 bonds (distance) P-C4' energy: -68.289 flat angles C4'-P-C4' energy: -73.368 flat angles P-C4'-P energy: -56.291 tors. eta vs tors. theta energy: -111.395 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: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1014.772766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.772766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.772766 (E_RNA) where: Base-Base interactions energy: -661.664 where: short stacking energy: -287.115 Base-Backbone interact. energy: -2.488 local terms energy: -350.620595 where: bonds (distance) C4'-P energy: -71.586 bonds (distance) P-C4' energy: -63.245 flat angles C4'-P-C4' energy: -69.661 flat angles P-C4'-P energy: -53.776 tors. eta vs tors. theta energy: -92.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1015.265067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.265067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.265067 (E_RNA) where: Base-Base interactions energy: -683.467 where: short stacking energy: -275.680 Base-Backbone interact. energy: -1.274 local terms energy: -330.523606 where: bonds (distance) C4'-P energy: -58.971 bonds (distance) P-C4' energy: -68.063 flat angles C4'-P-C4' energy: -65.887 flat angles P-C4'-P energy: -49.691 tors. eta vs tors. theta energy: -87.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -897.153079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.153079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.153079 (E_RNA) where: Base-Base interactions energy: -602.164 where: short stacking energy: -252.733 Base-Backbone interact. energy: -2.097 local terms energy: -292.891651 where: bonds (distance) C4'-P energy: -63.191 bonds (distance) P-C4' energy: -51.573 flat angles C4'-P-C4' energy: -62.836 flat angles P-C4'-P energy: -36.625 tors. eta vs tors. theta energy: -78.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -864.092950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.092950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.092950 (E_RNA) where: Base-Base interactions energy: -581.620 where: short stacking energy: -247.854 Base-Backbone interact. energy: 0.732 local terms energy: -283.205646 where: bonds (distance) C4'-P energy: -59.767 bonds (distance) P-C4' energy: -44.903 flat angles C4'-P-C4' energy: -61.993 flat angles P-C4'-P energy: -49.650 tors. eta vs tors. theta energy: -66.892 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: 369 Temperature: 1.150000 Total energy: -743.538381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.538381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.538381 (E_RNA) where: Base-Base interactions energy: -466.850 where: short stacking energy: -217.033 Base-Backbone interact. energy: -1.396 local terms energy: -275.292024 where: bonds (distance) C4'-P energy: -64.591 bonds (distance) P-C4' energy: -65.470 flat angles C4'-P-C4' energy: -53.388 flat angles P-C4'-P energy: -44.367 tors. eta vs tors. theta energy: -47.477 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: 369 Temperature: 1.200000 Total energy: -503.790999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.790999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.790999 (E_RNA) where: Base-Base interactions energy: -267.010 where: short stacking energy: -145.082 Base-Backbone interact. energy: -0.605 local terms energy: -236.175990 where: bonds (distance) C4'-P energy: -61.648 bonds (distance) P-C4' energy: -60.046 flat angles C4'-P-C4' energy: -49.373 flat angles P-C4'-P energy: -42.195 tors. eta vs tors. theta energy: -22.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -480.766437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.766437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.766437 (E_RNA) where: Base-Base interactions energy: -263.115 where: short stacking energy: -128.411 Base-Backbone interact. energy: 1.551 local terms energy: -219.202872 where: bonds (distance) C4'-P energy: -53.799 bonds (distance) P-C4' energy: -63.161 flat angles C4'-P-C4' energy: -62.323 flat angles P-C4'-P energy: -22.893 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: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -266.962763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.962763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.962763 (E_RNA) where: Base-Base interactions energy: -95.690 where: short stacking energy: -81.496 Base-Backbone interact. energy: -1.634 local terms energy: -169.638421 where: bonds (distance) C4'-P energy: -50.681 bonds (distance) P-C4' energy: -51.806 flat angles C4'-P-C4' energy: -42.273 flat angles P-C4'-P energy: -24.054 tors. eta vs tors. theta energy: -0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -258.426670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.426670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.426670 (E_RNA) where: Base-Base interactions energy: -76.727 where: short stacking energy: -39.264 Base-Backbone interact. energy: -2.048 local terms energy: -179.651103 where: bonds (distance) C4'-P energy: -53.749 bonds (distance) P-C4' energy: -57.795 flat angles C4'-P-C4' energy: -49.420 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: 19.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1118.994689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.994689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.994689 (E_RNA) where: Base-Base interactions energy: -754.911 where: short stacking energy: -339.430 Base-Backbone interact. energy: -1.380 local terms energy: -362.703198 where: bonds (distance) C4'-P energy: -57.407 bonds (distance) P-C4' energy: -62.782 flat angles C4'-P-C4' energy: -75.939 flat angles P-C4'-P energy: -56.134 tors. eta vs tors. theta energy: -110.441 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: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1021.123248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.123248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.123248 (E_RNA) where: Base-Base interactions energy: -688.976 where: short stacking energy: -304.722 Base-Backbone interact. energy: 0.398 local terms energy: -332.545003 where: bonds (distance) C4'-P energy: -66.191 bonds (distance) P-C4' energy: -55.046 flat angles C4'-P-C4' energy: -69.244 flat angles P-C4'-P energy: -46.787 tors. eta vs tors. theta energy: -95.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -995.647971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.647971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.647971 (E_RNA) where: Base-Base interactions energy: -677.518 where: short stacking energy: -281.331 Base-Backbone interact. energy: -0.071 local terms energy: -318.058416 where: bonds (distance) C4'-P energy: -68.670 bonds (distance) P-C4' energy: -56.681 flat angles C4'-P-C4' energy: -64.538 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -87.720 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: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -890.000709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.000709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.000709 (E_RNA) where: Base-Base interactions energy: -594.216 where: short stacking energy: -255.449 Base-Backbone interact. energy: 0.218 local terms energy: -296.003105 where: bonds (distance) C4'-P energy: -51.272 bonds (distance) P-C4' energy: -66.414 flat angles C4'-P-C4' energy: -57.919 flat angles P-C4'-P energy: -48.402 tors. eta vs tors. theta energy: -71.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -909.465651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.465651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.465651 (E_RNA) where: Base-Base interactions energy: -619.736 where: short stacking energy: -268.647 Base-Backbone interact. energy: -0.623 local terms energy: -289.105860 where: bonds (distance) C4'-P energy: -47.455 bonds (distance) P-C4' energy: -61.960 flat angles C4'-P-C4' energy: -70.256 flat angles P-C4'-P energy: -32.577 tors. eta vs tors. theta energy: -76.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -721.932891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.932891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.932891 (E_RNA) where: Base-Base interactions energy: -446.016 where: short stacking energy: -200.989 Base-Backbone interact. energy: 2.302 local terms energy: -278.219586 where: bonds (distance) C4'-P energy: -47.683 bonds (distance) P-C4' energy: -61.305 flat angles C4'-P-C4' energy: -64.662 flat angles P-C4'-P energy: -46.067 tors. eta vs tors. theta energy: -58.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -605.643637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.643637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.643637 (E_RNA) where: Base-Base interactions energy: -376.323 where: short stacking energy: -164.752 Base-Backbone interact. energy: -0.190 local terms energy: -229.131012 where: bonds (distance) C4'-P energy: -50.886 bonds (distance) P-C4' energy: -69.843 flat angles C4'-P-C4' energy: -48.578 flat angles P-C4'-P energy: -27.392 tors. eta vs tors. theta energy: -32.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -487.930249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.930249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.930249 (E_RNA) where: Base-Base interactions energy: -262.157 where: short stacking energy: -149.372 Base-Backbone interact. energy: -1.746 local terms energy: -224.026575 where: bonds (distance) C4'-P energy: -58.066 bonds (distance) P-C4' energy: -61.065 flat angles C4'-P-C4' energy: -46.094 flat angles P-C4'-P energy: -32.024 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: 9, replica: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -263.468595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.468595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.468595 (E_RNA) where: Base-Base interactions energy: -81.556 where: short stacking energy: -67.023 Base-Backbone interact. energy: 1.515 local terms energy: -183.426819 where: bonds (distance) C4'-P energy: -42.729 bonds (distance) P-C4' energy: -65.589 flat angles C4'-P-C4' energy: -51.744 flat angles P-C4'-P energy: -35.717 tors. eta vs tors. theta energy: 12.352 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: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -276.907704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.907704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.907704 (E_RNA) where: Base-Base interactions energy: -86.161 where: short stacking energy: -66.612 Base-Backbone interact. energy: 2.644 local terms energy: -193.391490 where: bonds (distance) C4'-P energy: -54.909 bonds (distance) P-C4' energy: -65.942 flat angles C4'-P-C4' energy: -49.183 flat angles P-C4'-P energy: -28.928 tors. eta vs tors. theta energy: 5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1105.202290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.202290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.202290 (E_RNA) where: Base-Base interactions energy: -743.504 where: short stacking energy: -345.194 Base-Backbone interact. energy: -1.374 local terms energy: -360.323440 where: bonds (distance) C4'-P energy: -64.398 bonds (distance) P-C4' energy: -60.603 flat angles C4'-P-C4' energy: -76.466 flat angles P-C4'-P energy: -49.043 tors. eta vs tors. theta energy: -109.813 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: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1033.443851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.443851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.443851 (E_RNA) where: Base-Base interactions energy: -698.058 where: short stacking energy: -300.721 Base-Backbone interact. energy: -0.275 local terms energy: -335.110030 where: bonds (distance) C4'-P energy: -72.112 bonds (distance) P-C4' energy: -52.188 flat angles C4'-P-C4' energy: -68.109 flat angles P-C4'-P energy: -49.095 tors. eta vs tors. theta energy: -93.606 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: 3, replica: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -987.321026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.321026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.321026 (E_RNA) where: Base-Base interactions energy: -655.483 where: short stacking energy: -264.516 Base-Backbone interact. energy: -1.334 local terms energy: -330.504936 where: bonds (distance) C4'-P energy: -60.235 bonds (distance) P-C4' energy: -58.805 flat angles C4'-P-C4' energy: -69.757 flat angles P-C4'-P energy: -50.780 tors. eta vs tors. theta energy: -90.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -912.076845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.076845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.076845 (E_RNA) where: Base-Base interactions energy: -578.109 where: short stacking energy: -254.557 Base-Backbone interact. energy: -0.296 local terms energy: -333.672242 where: bonds (distance) C4'-P energy: -63.225 bonds (distance) P-C4' energy: -66.659 flat angles C4'-P-C4' energy: -68.836 flat angles P-C4'-P energy: -54.942 tors. eta vs tors. theta energy: -80.011 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: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -833.635309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.635309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.635309 (E_RNA) where: Base-Base interactions energy: -553.675 where: short stacking energy: -230.988 Base-Backbone interact. energy: -0.231 local terms energy: -279.728673 where: bonds (distance) C4'-P energy: -51.432 bonds (distance) P-C4' energy: -55.664 flat angles C4'-P-C4' energy: -60.173 flat angles P-C4'-P energy: -47.282 tors. eta vs tors. theta energy: -65.177 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: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -777.618253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.618253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.618253 (E_RNA) where: Base-Base interactions energy: -515.401 where: short stacking energy: -235.725 Base-Backbone interact. energy: -1.200 local terms energy: -261.016869 where: bonds (distance) C4'-P energy: -54.856 bonds (distance) P-C4' energy: -53.010 flat angles C4'-P-C4' energy: -60.590 flat angles P-C4'-P energy: -36.643 tors. eta vs tors. theta energy: -55.918 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: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -609.854960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.854960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.854960 (E_RNA) where: Base-Base interactions energy: -385.219 where: short stacking energy: -167.846 Base-Backbone interact. energy: -2.344 local terms energy: -222.291880 where: bonds (distance) C4'-P energy: -51.405 bonds (distance) P-C4' energy: -54.524 flat angles C4'-P-C4' energy: -55.567 flat angles P-C4'-P energy: -27.814 tors. eta vs tors. theta energy: -32.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -462.748497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.748497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.748497 (E_RNA) where: Base-Base interactions energy: -236.934 where: short stacking energy: -124.896 Base-Backbone interact. energy: 0.100 local terms energy: -225.914989 where: bonds (distance) C4'-P energy: -52.032 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -55.255 flat angles P-C4'-P energy: -37.620 tors. eta vs tors. theta energy: -12.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -296.791445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.791445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.791445 (E_RNA) where: Base-Base interactions energy: -102.084 where: short stacking energy: -91.557 Base-Backbone interact. energy: -0.292 local terms energy: -194.415745 where: bonds (distance) C4'-P energy: -39.151 bonds (distance) P-C4' energy: -63.035 flat angles C4'-P-C4' energy: -57.273 flat angles P-C4'-P energy: -33.204 tors. eta vs tors. theta energy: -1.752 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: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -264.105625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.105625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.105625 (E_RNA) where: Base-Base interactions energy: -79.055 where: short stacking energy: -75.612 Base-Backbone interact. energy: -1.424 local terms energy: -183.626495 where: bonds (distance) C4'-P energy: -54.810 bonds (distance) P-C4' energy: -57.918 flat angles C4'-P-C4' energy: -54.556 flat angles P-C4'-P energy: -23.000 tors. eta vs tors. theta energy: 6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1143.146154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.146154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.146154 (E_RNA) where: Base-Base interactions energy: -773.560 where: short stacking energy: -335.395 Base-Backbone interact. energy: 1.219 local terms energy: -370.805194 where: bonds (distance) C4'-P energy: -65.259 bonds (distance) P-C4' energy: -69.342 flat angles C4'-P-C4' energy: -73.854 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: -107.967 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: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1045.427016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.427016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.427016 (E_RNA) where: Base-Base interactions energy: -710.200 where: short stacking energy: -308.752 Base-Backbone interact. energy: 0.533 local terms energy: -335.760451 where: bonds (distance) C4'-P energy: -64.893 bonds (distance) P-C4' energy: -60.229 flat angles C4'-P-C4' energy: -73.524 flat angles P-C4'-P energy: -40.275 tors. eta vs tors. theta energy: -96.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1021.742868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.742868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.742868 (E_RNA) where: Base-Base interactions energy: -701.764 where: short stacking energy: -277.801 Base-Backbone interact. energy: -0.001 local terms energy: -319.978478 where: bonds (distance) C4'-P energy: -64.536 bonds (distance) P-C4' energy: -62.504 flat angles C4'-P-C4' energy: -63.822 flat angles P-C4'-P energy: -48.264 tors. eta vs tors. theta energy: -80.853 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: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -921.230992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.230992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.230992 (E_RNA) where: Base-Base interactions energy: -626.993 where: short stacking energy: -272.657 Base-Backbone interact. energy: -0.458 local terms energy: -293.779771 where: bonds (distance) C4'-P energy: -53.741 bonds (distance) P-C4' energy: -58.044 flat angles C4'-P-C4' energy: -64.367 flat angles P-C4'-P energy: -39.806 tors. eta vs tors. theta energy: -77.822 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: 372 Temperature: 1.100000 Total energy: -850.260061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.260061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.260061 (E_RNA) where: Base-Base interactions energy: -553.750 where: short stacking energy: -240.950 Base-Backbone interact. energy: -1.983 local terms energy: -294.527523 where: bonds (distance) C4'-P energy: -61.034 bonds (distance) P-C4' energy: -55.233 flat angles C4'-P-C4' energy: -66.441 flat angles P-C4'-P energy: -37.099 tors. eta vs tors. theta energy: -74.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -773.507640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.507640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.507640 (E_RNA) where: Base-Base interactions energy: -495.992 where: short stacking energy: -216.524 Base-Backbone interact. energy: -2.124 local terms energy: -275.391689 where: bonds (distance) C4'-P energy: -57.689 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -58.142 flat angles P-C4'-P energy: -39.006 tors. eta vs tors. theta energy: -63.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -670.643937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.643937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.643937 (E_RNA) where: Base-Base interactions energy: -417.931 where: short stacking energy: -182.291 Base-Backbone interact. energy: -1.235 local terms energy: -251.478190 where: bonds (distance) C4'-P energy: -55.018 bonds (distance) P-C4' energy: -49.798 flat angles C4'-P-C4' energy: -59.417 flat angles P-C4'-P energy: -37.455 tors. eta vs tors. theta energy: -49.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -480.679401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.679401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.679401 (E_RNA) where: Base-Base interactions energy: -255.099 where: short stacking energy: -140.106 Base-Backbone interact. energy: 1.608 local terms energy: -227.188354 where: bonds (distance) C4'-P energy: -59.789 bonds (distance) P-C4' energy: -58.761 flat angles C4'-P-C4' energy: -53.601 flat angles P-C4'-P energy: -35.573 tors. eta vs tors. theta energy: -19.465 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: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -262.627386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.627386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.627386 (E_RNA) where: Base-Base interactions energy: -82.704 where: short stacking energy: -70.196 Base-Backbone interact. energy: -0.294 local terms energy: -179.628945 where: bonds (distance) C4'-P energy: -52.221 bonds (distance) P-C4' energy: -56.215 flat angles C4'-P-C4' energy: -39.196 flat angles P-C4'-P energy: -23.163 tors. eta vs tors. theta energy: -8.835 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: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -260.380328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.380328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.380328 (E_RNA) where: Base-Base interactions energy: -95.850 where: short stacking energy: -83.146 Base-Backbone interact. energy: 3.916 local terms energy: -168.446207 where: bonds (distance) C4'-P energy: -41.686 bonds (distance) P-C4' energy: -54.397 flat angles C4'-P-C4' energy: -52.980 flat angles P-C4'-P energy: -25.543 tors. eta vs tors. theta energy: 6.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1128.402808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.402808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.402808 (E_RNA) where: Base-Base interactions energy: -768.848 where: short stacking energy: -329.176 Base-Backbone interact. energy: -1.528 local terms energy: -358.026840 where: bonds (distance) C4'-P energy: -58.184 bonds (distance) P-C4' energy: -66.699 flat angles C4'-P-C4' energy: -77.289 flat angles P-C4'-P energy: -49.091 tors. eta vs tors. theta energy: -106.764 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: 373 Temperature: 0.950000 Total energy: -1066.232272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.232272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.232272 (E_RNA) where: Base-Base interactions energy: -719.072 where: short stacking energy: -317.553 Base-Backbone interact. energy: -0.639 local terms energy: -346.521980 where: bonds (distance) C4'-P energy: -56.422 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -74.397 flat angles P-C4'-P energy: -47.413 tors. eta vs tors. theta energy: -98.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -999.656335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.656335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.656335 (E_RNA) where: Base-Base interactions energy: -672.042 where: short stacking energy: -277.314 Base-Backbone interact. energy: -1.198 local terms energy: -326.416451 where: bonds (distance) C4'-P energy: -50.569 bonds (distance) P-C4' energy: -63.406 flat angles C4'-P-C4' energy: -67.933 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: -92.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -951.301982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.301982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.301982 (E_RNA) where: Base-Base interactions energy: -633.418 where: short stacking energy: -286.734 Base-Backbone interact. energy: -0.980 local terms energy: -316.904001 where: bonds (distance) C4'-P energy: -62.365 bonds (distance) P-C4' energy: -52.016 flat angles C4'-P-C4' energy: -65.157 flat angles P-C4'-P energy: -44.771 tors. eta vs tors. theta energy: -92.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -861.732822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.732822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.732822 (E_RNA) where: Base-Base interactions energy: -567.010 where: short stacking energy: -256.113 Base-Backbone interact. energy: -1.949 local terms energy: -292.774491 where: bonds (distance) C4'-P energy: -62.875 bonds (distance) P-C4' energy: -59.163 flat angles C4'-P-C4' energy: -56.829 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: -68.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -744.757177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.757177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.757177 (E_RNA) where: Base-Base interactions energy: -476.836 where: short stacking energy: -218.786 Base-Backbone interact. energy: 0.122 local terms energy: -268.043093 where: bonds (distance) C4'-P energy: -53.331 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -57.038 flat angles P-C4'-P energy: -36.553 tors. eta vs tors. theta energy: -65.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -582.887504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.887504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.887504 (E_RNA) where: Base-Base interactions energy: -328.493 where: short stacking energy: -153.228 Base-Backbone interact. energy: -2.643 local terms energy: -251.751621 where: bonds (distance) C4'-P energy: -45.098 bonds (distance) P-C4' energy: -66.522 flat angles C4'-P-C4' energy: -61.005 flat angles P-C4'-P energy: -40.605 tors. eta vs tors. theta energy: -38.522 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: 6 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -490.769670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.769670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.769670 (E_RNA) where: Base-Base interactions energy: -278.058 where: short stacking energy: -148.341 Base-Backbone interact. energy: 0.903 local terms energy: -213.614432 where: bonds (distance) C4'-P energy: -40.784 bonds (distance) P-C4' energy: -62.929 flat angles C4'-P-C4' energy: -47.943 flat angles P-C4'-P energy: -35.491 tors. eta vs tors. theta energy: -26.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -283.520267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.520267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.520267 (E_RNA) where: Base-Base interactions energy: -100.051 where: short stacking energy: -72.136 Base-Backbone interact. energy: -1.106 local terms energy: -182.363353 where: bonds (distance) C4'-P energy: -57.754 bonds (distance) P-C4' energy: -54.590 flat angles C4'-P-C4' energy: -39.667 flat angles P-C4'-P energy: -30.975 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -252.909342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.909342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.909342 (E_RNA) where: Base-Base interactions energy: -76.809 where: short stacking energy: -71.343 Base-Backbone interact. energy: 2.700 local terms energy: -178.801081 where: bonds (distance) C4'-P energy: -33.547 bonds (distance) P-C4' energy: -57.809 flat angles C4'-P-C4' energy: -42.482 flat angles P-C4'-P energy: -38.185 tors. eta vs tors. theta energy: -6.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1130.598679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.598679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.598679 (E_RNA) where: Base-Base interactions energy: -763.056 where: short stacking energy: -343.730 Base-Backbone interact. energy: 0.035 local terms energy: -367.577295 where: bonds (distance) C4'-P energy: -64.800 bonds (distance) P-C4' energy: -62.697 flat angles C4'-P-C4' energy: -74.792 flat angles P-C4'-P energy: -56.176 tors. eta vs tors. theta energy: -109.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1056.986189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.986189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.986189 (E_RNA) where: Base-Base interactions energy: -729.045 where: short stacking energy: -311.784 Base-Backbone interact. energy: 0.956 local terms energy: -328.898125 where: bonds (distance) C4'-P energy: -59.606 bonds (distance) P-C4' energy: -58.886 flat angles C4'-P-C4' energy: -71.100 flat angles P-C4'-P energy: -49.120 tors. eta vs tors. theta energy: -90.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -991.105022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.105022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.105022 (E_RNA) where: Base-Base interactions energy: -659.056 where: short stacking energy: -285.267 Base-Backbone interact. energy: -0.937 local terms energy: -331.112383 where: bonds (distance) C4'-P energy: -58.502 bonds (distance) P-C4' energy: -60.556 flat angles C4'-P-C4' energy: -74.862 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -96.179 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: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -921.998049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.998049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.998049 (E_RNA) where: Base-Base interactions energy: -611.847 where: short stacking energy: -270.505 Base-Backbone interact. energy: -0.091 local terms energy: -310.060457 where: bonds (distance) C4'-P energy: -61.050 bonds (distance) P-C4' energy: -60.381 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -37.556 tors. eta vs tors. theta energy: -85.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -768.397471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.397471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.397471 (E_RNA) where: Base-Base interactions energy: -502.690 where: short stacking energy: -208.374 Base-Backbone interact. energy: -0.642 local terms energy: -265.065446 where: bonds (distance) C4'-P energy: -52.133 bonds (distance) P-C4' energy: -49.325 flat angles C4'-P-C4' energy: -67.819 flat angles P-C4'-P energy: -40.873 tors. eta vs tors. theta energy: -54.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -773.516109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.516109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.516109 (E_RNA) where: Base-Base interactions energy: -497.977 where: short stacking energy: -220.904 Base-Backbone interact. energy: -2.262 local terms energy: -273.276725 where: bonds (distance) C4'-P energy: -57.575 bonds (distance) P-C4' energy: -63.346 flat angles C4'-P-C4' energy: -51.371 flat angles P-C4'-P energy: -44.647 tors. eta vs tors. theta energy: -56.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -622.256912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.256912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.256912 (E_RNA) where: Base-Base interactions energy: -366.974 where: short stacking energy: -180.278 Base-Backbone interact. energy: 1.894 local terms energy: -257.177086 where: bonds (distance) C4'-P energy: -52.449 bonds (distance) P-C4' energy: -65.211 flat angles C4'-P-C4' energy: -59.586 flat angles P-C4'-P energy: -41.458 tors. eta vs tors. theta energy: -38.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -480.799529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.799529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.799529 (E_RNA) where: Base-Base interactions energy: -259.579 where: short stacking energy: -129.346 Base-Backbone interact. energy: -1.495 local terms energy: -219.724924 where: bonds (distance) C4'-P energy: -40.224 bonds (distance) P-C4' energy: -56.899 flat angles C4'-P-C4' energy: -59.957 flat angles P-C4'-P energy: -39.348 tors. eta vs tors. theta energy: -23.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -287.637409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.637409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.637409 (E_RNA) where: Base-Base interactions energy: -131.723 where: short stacking energy: -74.941 Base-Backbone interact. energy: 3.327 local terms energy: -159.242079 where: bonds (distance) C4'-P energy: -41.435 bonds (distance) P-C4' energy: -56.029 flat angles C4'-P-C4' energy: -40.907 flat angles P-C4'-P energy: -31.567 tors. eta vs tors. theta energy: 10.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -257.993993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.993993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.993993 (E_RNA) where: Base-Base interactions energy: -99.285 where: short stacking energy: -72.496 Base-Backbone interact. energy: 1.462 local terms energy: -160.170623 where: bonds (distance) C4'-P energy: -48.139 bonds (distance) P-C4' energy: -50.881 flat angles C4'-P-C4' energy: -52.295 flat angles P-C4'-P energy: -16.740 tors. eta vs tors. theta energy: 7.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1129.605069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.605069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.605069 (E_RNA) where: Base-Base interactions energy: -775.503 where: short stacking energy: -337.643 Base-Backbone interact. energy: -1.142 local terms energy: -352.960230 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -68.440 flat angles C4'-P-C4' energy: -77.112 flat angles P-C4'-P energy: -44.848 tors. eta vs tors. theta energy: -106.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1035.981128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.981128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.981128 (E_RNA) where: Base-Base interactions energy: -700.118 where: short stacking energy: -304.992 Base-Backbone interact. energy: -1.320 local terms energy: -334.543088 where: bonds (distance) C4'-P energy: -53.900 bonds (distance) P-C4' energy: -63.738 flat angles C4'-P-C4' energy: -72.617 flat angles P-C4'-P energy: -51.455 tors. eta vs tors. theta energy: -92.834 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: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1003.999831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.999831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.999831 (E_RNA) where: Base-Base interactions energy: -678.693 where: short stacking energy: -293.504 Base-Backbone interact. energy: -0.640 local terms energy: -324.666607 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -65.198 flat angles C4'-P-C4' energy: -64.321 flat angles P-C4'-P energy: -48.592 tors. eta vs tors. theta energy: -88.670 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: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -896.109797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.109797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.109797 (E_RNA) where: Base-Base interactions energy: -590.967 where: short stacking energy: -255.197 Base-Backbone interact. energy: -1.207 local terms energy: -303.935716 where: bonds (distance) C4'-P energy: -57.863 bonds (distance) P-C4' energy: -60.928 flat angles C4'-P-C4' energy: -62.903 flat angles P-C4'-P energy: -47.176 tors. eta vs tors. theta energy: -75.066 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: 1 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -765.996099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.996099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.996099 (E_RNA) where: Base-Base interactions energy: -490.126 where: short stacking energy: -205.507 Base-Backbone interact. energy: 0.990 local terms energy: -276.860653 where: bonds (distance) C4'-P energy: -56.970 bonds (distance) P-C4' energy: -54.316 flat angles C4'-P-C4' energy: -64.126 flat angles P-C4'-P energy: -43.799 tors. eta vs tors. theta energy: -57.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -793.687683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.687683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.687683 (E_RNA) where: Base-Base interactions energy: -504.307 where: short stacking energy: -224.294 Base-Backbone interact. energy: 0.669 local terms energy: -290.049830 where: bonds (distance) C4'-P energy: -64.412 bonds (distance) P-C4' energy: -56.623 flat angles C4'-P-C4' energy: -62.558 flat angles P-C4'-P energy: -45.489 tors. eta vs tors. theta energy: -60.969 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: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -586.744104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.744104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.744104 (E_RNA) where: Base-Base interactions energy: -372.010 where: short stacking energy: -157.760 Base-Backbone interact. energy: 0.394 local terms energy: -215.128363 where: bonds (distance) C4'-P energy: -53.594 bonds (distance) P-C4' energy: -49.172 flat angles C4'-P-C4' energy: -58.887 flat angles P-C4'-P energy: -30.205 tors. eta vs tors. theta energy: -23.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -489.410918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.410918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.410918 (E_RNA) where: Base-Base interactions energy: -260.639 where: short stacking energy: -135.646 Base-Backbone interact. energy: -0.782 local terms energy: -227.990318 where: bonds (distance) C4'-P energy: -49.416 bonds (distance) P-C4' energy: -58.435 flat angles C4'-P-C4' energy: -54.387 flat angles P-C4'-P energy: -36.260 tors. eta vs tors. theta energy: -29.492 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: 3 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -303.533618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.533618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.533618 (E_RNA) where: Base-Base interactions energy: -122.319 where: short stacking energy: -81.416 Base-Backbone interact. energy: 0.794 local terms energy: -182.008418 where: bonds (distance) C4'-P energy: -51.000 bonds (distance) P-C4' energy: -63.559 flat angles C4'-P-C4' energy: -44.216 flat angles P-C4'-P energy: -28.392 tors. eta vs tors. theta energy: 5.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -271.122624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.122624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.122624 (E_RNA) where: Base-Base interactions energy: -77.638 where: short stacking energy: -75.911 Base-Backbone interact. energy: 0.141 local terms energy: -193.625686 where: bonds (distance) C4'-P energy: -54.110 bonds (distance) P-C4' energy: -58.414 flat angles C4'-P-C4' energy: -56.759 flat angles P-C4'-P energy: -25.886 tors. eta vs tors. theta energy: 1.542 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: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1129.023552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.023552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.023552 (E_RNA) where: Base-Base interactions energy: -775.520 where: short stacking energy: -353.903 Base-Backbone interact. energy: -0.284 local terms energy: -353.220380 where: bonds (distance) C4'-P energy: -65.341 bonds (distance) P-C4' energy: -60.891 flat angles C4'-P-C4' energy: -74.298 flat angles P-C4'-P energy: -45.432 tors. eta vs tors. theta energy: -107.259 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: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1050.481038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.481038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.481038 (E_RNA) where: Base-Base interactions energy: -719.756 where: short stacking energy: -315.788 Base-Backbone interact. energy: -0.921 local terms energy: -329.804054 where: bonds (distance) C4'-P energy: -61.275 bonds (distance) P-C4' energy: -55.922 flat angles C4'-P-C4' energy: -65.771 flat angles P-C4'-P energy: -47.338 tors. eta vs tors. theta energy: -99.498 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: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -993.629372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.629372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.629372 (E_RNA) where: Base-Base interactions energy: -677.838 where: short stacking energy: -273.580 Base-Backbone interact. energy: 0.405 local terms energy: -316.196029 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -54.218 flat angles C4'-P-C4' energy: -62.670 flat angles P-C4'-P energy: -46.812 tors. eta vs tors. theta energy: -87.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -886.218327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.218327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.218327 (E_RNA) where: Base-Base interactions energy: -589.122 where: short stacking energy: -251.789 Base-Backbone interact. energy: -1.063 local terms energy: -296.033704 where: bonds (distance) C4'-P energy: -55.033 bonds (distance) P-C4' energy: -63.442 flat angles C4'-P-C4' energy: -69.211 flat angles P-C4'-P energy: -38.075 tors. eta vs tors. theta energy: -70.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -761.409902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.409902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.409902 (E_RNA) where: Base-Base interactions energy: -478.662 where: short stacking energy: -210.826 Base-Backbone interact. energy: 2.058 local terms energy: -284.806223 where: bonds (distance) C4'-P energy: -65.098 bonds (distance) P-C4' energy: -65.838 flat angles C4'-P-C4' energy: -56.583 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -60.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -739.972453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.972453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.972453 (E_RNA) where: Base-Base interactions energy: -473.992 where: short stacking energy: -207.677 Base-Backbone interact. energy: -0.007 local terms energy: -265.973477 where: bonds (distance) C4'-P energy: -59.488 bonds (distance) P-C4' energy: -56.763 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -42.311 tors. eta vs tors. theta energy: -46.265 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: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -554.910426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.910426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.910426 (E_RNA) where: Base-Base interactions energy: -318.406 where: short stacking energy: -156.429 Base-Backbone interact. energy: -1.753 local terms energy: -234.751253 where: bonds (distance) C4'-P energy: -51.994 bonds (distance) P-C4' energy: -55.530 flat angles C4'-P-C4' energy: -65.760 flat angles P-C4'-P energy: -36.841 tors. eta vs tors. theta energy: -24.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -485.799395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.799395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.799395 (E_RNA) where: Base-Base interactions energy: -273.571 where: short stacking energy: -143.063 Base-Backbone interact. energy: -0.911 local terms energy: -211.317362 where: bonds (distance) C4'-P energy: -55.680 bonds (distance) P-C4' energy: -45.249 flat angles C4'-P-C4' energy: -41.729 flat angles P-C4'-P energy: -32.201 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: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -280.496734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.496734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.496734 (E_RNA) where: Base-Base interactions energy: -90.699 where: short stacking energy: -77.464 Base-Backbone interact. energy: -1.041 local terms energy: -188.756721 where: bonds (distance) C4'-P energy: -52.657 bonds (distance) P-C4' energy: -60.132 flat angles C4'-P-C4' energy: -51.529 flat angles P-C4'-P energy: -27.217 tors. eta vs tors. theta energy: 2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -290.843843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.843843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.843843 (E_RNA) where: Base-Base interactions energy: -103.443 where: short stacking energy: -83.118 Base-Backbone interact. energy: -1.038 local terms energy: -186.362101 where: bonds (distance) C4'-P energy: -54.290 bonds (distance) P-C4' energy: -59.374 flat angles C4'-P-C4' energy: -43.792 flat angles P-C4'-P energy: -30.474 tors. eta vs tors. theta energy: 1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1120.308114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.308114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.308114 (E_RNA) where: Base-Base interactions energy: -776.995 where: short stacking energy: -338.152 Base-Backbone interact. energy: -2.137 local terms energy: -341.175330 where: bonds (distance) C4'-P energy: -48.130 bonds (distance) P-C4' energy: -63.268 flat angles C4'-P-C4' energy: -71.622 flat angles P-C4'-P energy: -52.391 tors. eta vs tors. theta energy: -105.764 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: 377 Temperature: 0.950000 Total energy: -1067.159740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.159740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.159740 (E_RNA) where: Base-Base interactions energy: -709.757 where: short stacking energy: -298.407 Base-Backbone interact. energy: -1.225 local terms energy: -356.178483 where: bonds (distance) C4'-P energy: -61.661 bonds (distance) P-C4' energy: -67.043 flat angles C4'-P-C4' energy: -68.338 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -105.506 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: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -978.582485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.582485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.582485 (E_RNA) where: Base-Base interactions energy: -668.745 where: short stacking energy: -265.002 Base-Backbone interact. energy: 0.261 local terms energy: -310.098583 where: bonds (distance) C4'-P energy: -64.235 bonds (distance) P-C4' energy: -61.360 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -41.383 tors. eta vs tors. theta energy: -78.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -878.347833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.347833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.347833 (E_RNA) where: Base-Base interactions energy: -583.962 where: short stacking energy: -259.781 Base-Backbone interact. energy: -1.250 local terms energy: -293.135685 where: bonds (distance) C4'-P energy: -41.871 bonds (distance) P-C4' energy: -63.548 flat angles C4'-P-C4' energy: -56.387 flat angles P-C4'-P energy: -51.941 tors. eta vs tors. theta energy: -79.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -760.157462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.157462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.157462 (E_RNA) where: Base-Base interactions energy: -504.182 where: short stacking energy: -221.909 Base-Backbone interact. energy: 1.736 local terms energy: -257.712164 where: bonds (distance) C4'-P energy: -51.999 bonds (distance) P-C4' energy: -63.946 flat angles C4'-P-C4' energy: -51.515 flat angles P-C4'-P energy: -41.934 tors. eta vs tors. theta energy: -48.319 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: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -702.423503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.423503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.423503 (E_RNA) where: Base-Base interactions energy: -441.288 where: short stacking energy: -187.792 Base-Backbone interact. energy: -0.376 local terms energy: -260.759491 where: bonds (distance) C4'-P energy: -46.750 bonds (distance) P-C4' energy: -49.376 flat angles C4'-P-C4' energy: -67.732 flat angles P-C4'-P energy: -49.772 tors. eta vs tors. theta energy: -47.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -509.463389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.463389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.463389 (E_RNA) where: Base-Base interactions energy: -284.778 where: short stacking energy: -156.645 Base-Backbone interact. energy: -1.414 local terms energy: -223.271436 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -46.811 flat angles C4'-P-C4' energy: -60.880 flat angles P-C4'-P energy: -34.972 tors. eta vs tors. theta energy: -23.518 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: 6 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -463.710803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.710803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.710803 (E_RNA) where: Base-Base interactions energy: -247.904 where: short stacking energy: -133.112 Base-Backbone interact. energy: -2.786 local terms energy: -213.020088 where: bonds (distance) C4'-P energy: -54.107 bonds (distance) P-C4' energy: -62.193 flat angles C4'-P-C4' energy: -45.644 flat angles P-C4'-P energy: -28.322 tors. eta vs tors. theta energy: -22.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -272.032162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.032162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.032162 (E_RNA) where: Base-Base interactions energy: -108.286 where: short stacking energy: -78.726 Base-Backbone interact. energy: -1.248 local terms energy: -162.497929 where: bonds (distance) C4'-P energy: -45.144 bonds (distance) P-C4' energy: -49.190 flat angles C4'-P-C4' energy: -47.138 flat angles P-C4'-P energy: -33.482 tors. eta vs tors. theta energy: 12.456 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: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -255.926650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.926650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.926650 (E_RNA) where: Base-Base interactions energy: -85.585 where: short stacking energy: -75.407 Base-Backbone interact. energy: -0.272 local terms energy: -170.069682 where: bonds (distance) C4'-P energy: -50.992 bonds (distance) P-C4' energy: -61.905 flat angles C4'-P-C4' energy: -41.296 flat angles P-C4'-P energy: -32.932 tors. eta vs tors. theta energy: 17.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1118.754242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.754242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.754242 (E_RNA) where: Base-Base interactions energy: -751.356 where: short stacking energy: -329.699 Base-Backbone interact. energy: -1.015 local terms energy: -366.383202 where: bonds (distance) C4'-P energy: -65.942 bonds (distance) P-C4' energy: -69.021 flat angles C4'-P-C4' energy: -70.604 flat angles P-C4'-P energy: -50.099 tors. eta vs tors. theta energy: -110.717 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: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1059.124842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.124842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.124842 (E_RNA) where: Base-Base interactions energy: -723.168 where: short stacking energy: -311.046 Base-Backbone interact. energy: -0.556 local terms energy: -335.400119 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -61.187 flat angles C4'-P-C4' energy: -73.634 flat angles P-C4'-P energy: -37.565 tors. eta vs tors. theta energy: -96.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -993.513722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.513722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.513722 (E_RNA) where: Base-Base interactions energy: -671.776 where: short stacking energy: -286.064 Base-Backbone interact. energy: -0.982 local terms energy: -320.756040 where: bonds (distance) C4'-P energy: -66.779 bonds (distance) P-C4' energy: -55.876 flat angles C4'-P-C4' energy: -70.722 flat angles P-C4'-P energy: -39.815 tors. eta vs tors. theta energy: -87.564 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: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -893.924880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.924880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.924880 (E_RNA) where: Base-Base interactions energy: -576.751 where: short stacking energy: -252.611 Base-Backbone interact. energy: -0.949 local terms energy: -316.224719 where: bonds (distance) C4'-P energy: -60.684 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -64.530 flat angles P-C4'-P energy: -43.053 tors. eta vs tors. theta energy: -83.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -776.914963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.914963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.914963 (E_RNA) where: Base-Base interactions energy: -499.407 where: short stacking energy: -208.983 Base-Backbone interact. energy: -2.431 local terms energy: -275.077063 where: bonds (distance) C4'-P energy: -58.348 bonds (distance) P-C4' energy: -58.989 flat angles C4'-P-C4' energy: -64.375 flat angles P-C4'-P energy: -41.524 tors. eta vs tors. theta energy: -51.841 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: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -731.995476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.995476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.995476 (E_RNA) where: Base-Base interactions energy: -471.674 where: short stacking energy: -218.297 Base-Backbone interact. energy: 2.835 local terms energy: -263.156351 where: bonds (distance) C4'-P energy: -44.620 bonds (distance) P-C4' energy: -54.168 flat angles C4'-P-C4' energy: -63.525 flat angles P-C4'-P energy: -41.239 tors. eta vs tors. theta energy: -59.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -543.893641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.893641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.893641 (E_RNA) where: Base-Base interactions energy: -312.791 where: short stacking energy: -163.702 Base-Backbone interact. energy: 0.251 local terms energy: -231.353688 where: bonds (distance) C4'-P energy: -54.714 bonds (distance) P-C4' energy: -54.108 flat angles C4'-P-C4' energy: -56.436 flat angles P-C4'-P energy: -37.370 tors. eta vs tors. theta energy: -28.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -495.108279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.108279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.108279 (E_RNA) where: Base-Base interactions energy: -287.646 where: short stacking energy: -145.450 Base-Backbone interact. energy: -0.503 local terms energy: -206.959660 where: bonds (distance) C4'-P energy: -38.269 bonds (distance) P-C4' energy: -62.213 flat angles C4'-P-C4' energy: -49.559 flat angles P-C4'-P energy: -35.400 tors. eta vs tors. theta energy: -21.519 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: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -312.785915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.785915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.785915 (E_RNA) where: Base-Base interactions energy: -116.886 where: short stacking energy: -83.987 Base-Backbone interact. energy: -0.722 local terms energy: -195.177169 where: bonds (distance) C4'-P energy: -51.996 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -50.955 flat angles P-C4'-P energy: -29.945 tors. eta vs tors. theta energy: 1.127 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: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -278.140554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.140554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.140554 (E_RNA) where: Base-Base interactions energy: -92.659 where: short stacking energy: -69.966 Base-Backbone interact. energy: -0.887 local terms energy: -184.594562 where: bonds (distance) C4'-P energy: -53.579 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -45.489 flat angles P-C4'-P energy: -32.191 tors. eta vs tors. theta energy: 4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1108.038784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.038784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.038784 (E_RNA) where: Base-Base interactions energy: -746.443 where: short stacking energy: -321.778 Base-Backbone interact. energy: -0.975 local terms energy: -360.621524 where: bonds (distance) C4'-P energy: -62.408 bonds (distance) P-C4' energy: -65.371 flat angles C4'-P-C4' energy: -72.998 flat angles P-C4'-P energy: -49.582 tors. eta vs tors. theta energy: -110.262 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: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1015.565743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.565743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.565743 (E_RNA) where: Base-Base interactions energy: -693.990 where: short stacking energy: -287.594 Base-Backbone interact. energy: -0.180 local terms energy: -321.395477 where: bonds (distance) C4'-P energy: -56.267 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -71.036 flat angles P-C4'-P energy: -50.923 tors. eta vs tors. theta energy: -85.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1005.277904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.277904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.277904 (E_RNA) where: Base-Base interactions energy: -677.632 where: short stacking energy: -285.565 Base-Backbone interact. energy: -1.461 local terms energy: -326.184619 where: bonds (distance) C4'-P energy: -59.443 bonds (distance) P-C4' energy: -52.518 flat angles C4'-P-C4' energy: -70.058 flat angles P-C4'-P energy: -48.949 tors. eta vs tors. theta energy: -95.216 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: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -906.655392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.655392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.655392 (E_RNA) where: Base-Base interactions energy: -595.020 where: short stacking energy: -254.906 Base-Backbone interact. energy: -0.483 local terms energy: -311.152192 where: bonds (distance) C4'-P energy: -55.202 bonds (distance) P-C4' energy: -66.206 flat angles C4'-P-C4' energy: -61.308 flat angles P-C4'-P energy: -42.179 tors. eta vs tors. theta energy: -86.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -777.832526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.832526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.832526 (E_RNA) where: Base-Base interactions energy: -500.902 where: short stacking energy: -220.587 Base-Backbone interact. energy: -0.459 local terms energy: -276.472001 where: bonds (distance) C4'-P energy: -56.108 bonds (distance) P-C4' energy: -63.776 flat angles C4'-P-C4' energy: -65.364 flat angles P-C4'-P energy: -35.720 tors. eta vs tors. theta energy: -55.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -770.097949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.097949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.097949 (E_RNA) where: Base-Base interactions energy: -498.469 where: short stacking energy: -223.306 Base-Backbone interact. energy: 1.511 local terms energy: -273.140713 where: bonds (distance) C4'-P energy: -51.285 bonds (distance) P-C4' energy: -53.273 flat angles C4'-P-C4' energy: -61.255 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -57.885 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: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -604.409551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.409551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.409551 (E_RNA) where: Base-Base interactions energy: -358.501 where: short stacking energy: -179.977 Base-Backbone interact. energy: 0.438 local terms energy: -246.347089 where: bonds (distance) C4'-P energy: -51.048 bonds (distance) P-C4' energy: -62.203 flat angles C4'-P-C4' energy: -55.723 flat angles P-C4'-P energy: -39.578 tors. eta vs tors. theta energy: -37.795 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: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -498.385245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.385245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.385245 (E_RNA) where: Base-Base interactions energy: -270.741 where: short stacking energy: -141.243 Base-Backbone interact. energy: -1.247 local terms energy: -226.397371 where: bonds (distance) C4'-P energy: -59.498 bonds (distance) P-C4' energy: -63.776 flat angles C4'-P-C4' energy: -47.664 flat angles P-C4'-P energy: -26.878 tors. eta vs tors. theta energy: -28.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -277.040962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.040962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.040962 (E_RNA) where: Base-Base interactions energy: -94.207 where: short stacking energy: -84.952 Base-Backbone interact. energy: -2.240 local terms energy: -180.594324 where: bonds (distance) C4'-P energy: -55.787 bonds (distance) P-C4' energy: -56.397 flat angles C4'-P-C4' energy: -52.384 flat angles P-C4'-P energy: -18.815 tors. eta vs tors. theta energy: 2.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -265.845818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.845818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.845818 (E_RNA) where: Base-Base interactions energy: -105.278 where: short stacking energy: -65.064 Base-Backbone interact. energy: -1.611 local terms energy: -158.956730 where: bonds (distance) C4'-P energy: -53.172 bonds (distance) P-C4' energy: -42.645 flat angles C4'-P-C4' energy: -39.613 flat angles P-C4'-P energy: -31.055 tors. eta vs tors. theta energy: 7.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1122.071660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.071660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.071660 (E_RNA) where: Base-Base interactions energy: -760.451 where: short stacking energy: -313.533 Base-Backbone interact. energy: -1.070 local terms energy: -360.550348 where: bonds (distance) C4'-P energy: -73.609 bonds (distance) P-C4' energy: -71.676 flat angles C4'-P-C4' energy: -57.831 flat angles P-C4'-P energy: -55.603 tors. eta vs tors. theta energy: -101.831 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: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1003.933385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.933385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.933385 (E_RNA) where: Base-Base interactions energy: -689.032 where: short stacking energy: -306.242 Base-Backbone interact. energy: 3.225 local terms energy: -318.126459 where: bonds (distance) C4'-P energy: -63.153 bonds (distance) P-C4' energy: -54.978 flat angles C4'-P-C4' energy: -58.849 flat angles P-C4'-P energy: -49.638 tors. eta vs tors. theta energy: -91.508 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: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1013.867605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.867605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.867605 (E_RNA) where: Base-Base interactions energy: -679.865 where: short stacking energy: -288.892 Base-Backbone interact. energy: -0.379 local terms energy: -333.623150 where: bonds (distance) C4'-P energy: -65.028 bonds (distance) P-C4' energy: -59.845 flat angles C4'-P-C4' energy: -70.802 flat angles P-C4'-P energy: -43.257 tors. eta vs tors. theta energy: -94.692 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: 4, replica: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -906.272803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.272803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.272803 (E_RNA) where: Base-Base interactions energy: -606.659 where: short stacking energy: -274.214 Base-Backbone interact. energy: 0.859 local terms energy: -300.472768 where: bonds (distance) C4'-P energy: -51.618 bonds (distance) P-C4' energy: -65.635 flat angles C4'-P-C4' energy: -58.943 flat angles P-C4'-P energy: -45.923 tors. eta vs tors. theta energy: -78.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -756.415762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.415762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.415762 (E_RNA) where: Base-Base interactions energy: -493.758 where: short stacking energy: -207.303 Base-Backbone interact. energy: -0.148 local terms energy: -262.510361 where: bonds (distance) C4'-P energy: -52.598 bonds (distance) P-C4' energy: -60.725 flat angles C4'-P-C4' energy: -48.171 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -63.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -773.084384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.084384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.084384 (E_RNA) where: Base-Base interactions energy: -505.377 where: short stacking energy: -210.678 Base-Backbone interact. energy: 4.396 local terms energy: -272.102523 where: bonds (distance) C4'-P energy: -57.822 bonds (distance) P-C4' energy: -52.846 flat angles C4'-P-C4' energy: -65.979 flat angles P-C4'-P energy: -36.546 tors. eta vs tors. theta energy: -58.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -567.904311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.904311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.904311 (E_RNA) where: Base-Base interactions energy: -310.344 where: short stacking energy: -167.338 Base-Backbone interact. energy: -1.564 local terms energy: -255.996744 where: bonds (distance) C4'-P energy: -51.755 bonds (distance) P-C4' energy: -59.581 flat angles C4'-P-C4' energy: -60.366 flat angles P-C4'-P energy: -44.051 tors. eta vs tors. theta energy: -40.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -473.428513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.428513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.428513 (E_RNA) where: Base-Base interactions energy: -251.243 where: short stacking energy: -123.207 Base-Backbone interact. energy: 1.759 local terms energy: -223.944856 where: bonds (distance) C4'-P energy: -57.771 bonds (distance) P-C4' energy: -61.803 flat angles C4'-P-C4' energy: -47.494 flat angles P-C4'-P energy: -42.579 tors. eta vs tors. theta energy: -14.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -275.001891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.001891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.001891 (E_RNA) where: Base-Base interactions energy: -106.942 where: short stacking energy: -65.276 Base-Backbone interact. energy: -2.653 local terms energy: -165.406112 where: bonds (distance) C4'-P energy: -50.996 bonds (distance) P-C4' energy: -62.225 flat angles C4'-P-C4' energy: -31.555 flat angles P-C4'-P energy: -22.611 tors. eta vs tors. theta energy: 1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -272.484140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.484140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.484140 (E_RNA) where: Base-Base interactions energy: -100.689 where: short stacking energy: -82.616 Base-Backbone interact. energy: -0.062 local terms energy: -171.733785 where: bonds (distance) C4'-P energy: -50.281 bonds (distance) P-C4' energy: -45.754 flat angles C4'-P-C4' energy: -53.532 flat angles P-C4'-P energy: -18.377 tors. eta vs tors. theta energy: -3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1099.837794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.837794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.837794 (E_RNA) where: Base-Base interactions energy: -738.408 where: short stacking energy: -327.460 Base-Backbone interact. energy: -0.197 local terms energy: -361.233240 where: bonds (distance) C4'-P energy: -66.223 bonds (distance) P-C4' energy: -67.015 flat angles C4'-P-C4' energy: -73.504 flat angles P-C4'-P energy: -47.730 tors. eta vs tors. theta energy: -106.761 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: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1005.170967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.170967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.170967 (E_RNA) where: Base-Base interactions energy: -684.219 where: short stacking energy: -285.507 Base-Backbone interact. energy: -0.948 local terms energy: -320.003866 where: bonds (distance) C4'-P energy: -51.492 bonds (distance) P-C4' energy: -64.374 flat angles C4'-P-C4' energy: -72.143 flat angles P-C4'-P energy: -45.674 tors. eta vs tors. theta energy: -86.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1039.055391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.055391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.055391 (E_RNA) where: Base-Base interactions energy: -689.194 where: short stacking energy: -297.028 Base-Backbone interact. energy: -1.658 local terms energy: -348.203158 where: bonds (distance) C4'-P energy: -66.413 bonds (distance) P-C4' energy: -59.151 flat angles C4'-P-C4' energy: -69.251 flat angles P-C4'-P energy: -51.113 tors. eta vs tors. theta energy: -102.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -875.274468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.274468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.274468 (E_RNA) where: Base-Base interactions energy: -581.867 where: short stacking energy: -264.919 Base-Backbone interact. energy: 0.243 local terms energy: -293.651087 where: bonds (distance) C4'-P energy: -55.873 bonds (distance) P-C4' energy: -62.032 flat angles C4'-P-C4' energy: -56.366 flat angles P-C4'-P energy: -41.391 tors. eta vs tors. theta energy: -77.989 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: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -780.912876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.912876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.912876 (E_RNA) where: Base-Base interactions energy: -499.667 where: short stacking energy: -229.352 Base-Backbone interact. energy: 0.089 local terms energy: -281.334086 where: bonds (distance) C4'-P energy: -58.065 bonds (distance) P-C4' energy: -61.115 flat angles C4'-P-C4' energy: -64.079 flat angles P-C4'-P energy: -44.957 tors. eta vs tors. theta energy: -53.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -781.689963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.689963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.689963 (E_RNA) where: Base-Base interactions energy: -519.300 where: short stacking energy: -235.217 Base-Backbone interact. energy: -0.003 local terms energy: -262.386878 where: bonds (distance) C4'-P energy: -46.354 bonds (distance) P-C4' energy: -60.094 flat angles C4'-P-C4' energy: -61.436 flat angles P-C4'-P energy: -34.782 tors. eta vs tors. theta energy: -59.721 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: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -567.430429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.430429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.430429 (E_RNA) where: Base-Base interactions energy: -343.062 where: short stacking energy: -150.821 Base-Backbone interact. energy: 1.209 local terms energy: -225.577137 where: bonds (distance) C4'-P energy: -45.970 bonds (distance) P-C4' energy: -57.420 flat angles C4'-P-C4' energy: -54.696 flat angles P-C4'-P energy: -38.802 tors. eta vs tors. theta energy: -28.689 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: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -494.040821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.040821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.040821 (E_RNA) where: Base-Base interactions energy: -270.946 where: short stacking energy: -132.572 Base-Backbone interact. energy: -1.578 local terms energy: -221.516662 where: bonds (distance) C4'-P energy: -58.313 bonds (distance) P-C4' energy: -44.032 flat angles C4'-P-C4' energy: -61.498 flat angles P-C4'-P energy: -32.432 tors. eta vs tors. theta energy: -25.242 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: 9, replica: 3 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -265.797849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.797849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.797849 (E_RNA) where: Base-Base interactions energy: -100.476 where: short stacking energy: -74.766 Base-Backbone interact. energy: -2.131 local terms energy: -163.190438 where: bonds (distance) C4'-P energy: -44.295 bonds (distance) P-C4' energy: -56.593 flat angles C4'-P-C4' energy: -36.191 flat angles P-C4'-P energy: -34.115 tors. eta vs tors. theta energy: 8.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -253.907584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.907584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.907584 (E_RNA) where: Base-Base interactions energy: -101.987 where: short stacking energy: -83.491 Base-Backbone interact. energy: -1.659 local terms energy: -150.261963 where: bonds (distance) C4'-P energy: -34.546 bonds (distance) P-C4' energy: -55.905 flat angles C4'-P-C4' energy: -37.407 flat angles P-C4'-P energy: -35.375 tors. eta vs tors. theta energy: 12.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1115.425313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.425313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.425313 (E_RNA) where: Base-Base interactions energy: -758.916 where: short stacking energy: -324.781 Base-Backbone interact. energy: -1.429 local terms energy: -355.080784 where: bonds (distance) C4'-P energy: -59.248 bonds (distance) P-C4' energy: -66.087 flat angles C4'-P-C4' energy: -79.447 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -103.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -989.406045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.406045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.406045 (E_RNA) where: Base-Base interactions energy: -648.303 where: short stacking energy: -260.097 Base-Backbone interact. energy: -0.780 local terms energy: -340.322179 where: bonds (distance) C4'-P energy: -66.223 bonds (distance) P-C4' energy: -62.993 flat angles C4'-P-C4' energy: -70.592 flat angles P-C4'-P energy: -52.611 tors. eta vs tors. theta energy: -87.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1024.509494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.509494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.509494 (E_RNA) where: Base-Base interactions energy: -689.365 where: short stacking energy: -289.976 Base-Backbone interact. energy: -1.846 local terms energy: -333.298329 where: bonds (distance) C4'-P energy: -63.342 bonds (distance) P-C4' energy: -61.760 flat angles C4'-P-C4' energy: -63.657 flat angles P-C4'-P energy: -51.149 tors. eta vs tors. theta energy: -93.391 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: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -864.277386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.277386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.277386 (E_RNA) where: Base-Base interactions energy: -587.195 where: short stacking energy: -240.433 Base-Backbone interact. energy: -1.093 local terms energy: -275.989656 where: bonds (distance) C4'-P energy: -54.238 bonds (distance) P-C4' energy: -63.473 flat angles C4'-P-C4' energy: -55.156 flat angles P-C4'-P energy: -38.336 tors. eta vs tors. theta energy: -64.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -811.843308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.843308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.843308 (E_RNA) where: Base-Base interactions energy: -541.312 where: short stacking energy: -236.395 Base-Backbone interact. energy: -0.606 local terms energy: -269.926007 where: bonds (distance) C4'-P energy: -60.405 bonds (distance) P-C4' energy: -63.881 flat angles C4'-P-C4' energy: -50.216 flat angles P-C4'-P energy: -38.239 tors. eta vs tors. theta energy: -57.185 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: 382 Temperature: 1.150000 Total energy: -752.090317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.090317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.090317 (E_RNA) where: Base-Base interactions energy: -477.577 where: short stacking energy: -228.565 Base-Backbone interact. energy: -0.140 local terms energy: -274.373080 where: bonds (distance) C4'-P energy: -46.152 bonds (distance) P-C4' energy: -63.663 flat angles C4'-P-C4' energy: -67.070 flat angles P-C4'-P energy: -40.554 tors. eta vs tors. theta energy: -56.934 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: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -593.374239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.374239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.374239 (E_RNA) where: Base-Base interactions energy: -359.167 where: short stacking energy: -173.697 Base-Backbone interact. energy: -1.017 local terms energy: -233.190364 where: bonds (distance) C4'-P energy: -51.928 bonds (distance) P-C4' energy: -61.468 flat angles C4'-P-C4' energy: -50.232 flat angles P-C4'-P energy: -32.518 tors. eta vs tors. theta energy: -37.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -479.755560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.755560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.755560 (E_RNA) where: Base-Base interactions energy: -269.897 where: short stacking energy: -126.193 Base-Backbone interact. energy: 0.078 local terms energy: -209.936460 where: bonds (distance) C4'-P energy: -52.819 bonds (distance) P-C4' energy: -54.734 flat angles C4'-P-C4' energy: -47.956 flat angles P-C4'-P energy: -29.522 tors. eta vs tors. theta energy: -24.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -310.880786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.880786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.880786 (E_RNA) where: Base-Base interactions energy: -137.151 where: short stacking energy: -93.972 Base-Backbone interact. energy: 0.699 local terms energy: -174.428859 where: bonds (distance) C4'-P energy: -57.527 bonds (distance) P-C4' energy: -56.979 flat angles C4'-P-C4' energy: -48.963 flat angles P-C4'-P energy: -18.943 tors. eta vs tors. theta energy: 7.982 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: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -265.046843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.046843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.046843 (E_RNA) where: Base-Base interactions energy: -104.477 where: short stacking energy: -93.863 Base-Backbone interact. energy: -1.646 local terms energy: -158.923766 where: bonds (distance) C4'-P energy: -39.051 bonds (distance) P-C4' energy: -50.716 flat angles C4'-P-C4' energy: -46.900 flat angles P-C4'-P energy: -18.036 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1126.808086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.808086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.808086 (E_RNA) where: Base-Base interactions energy: -761.371 where: short stacking energy: -336.796 Base-Backbone interact. energy: -0.445 local terms energy: -364.992409 where: bonds (distance) C4'-P energy: -70.976 bonds (distance) P-C4' energy: -66.043 flat angles C4'-P-C4' energy: -75.814 flat angles P-C4'-P energy: -44.434 tors. eta vs tors. theta energy: -107.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1025.525961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.525961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.525961 (E_RNA) where: Base-Base interactions energy: -690.455 where: short stacking energy: -284.820 Base-Backbone interact. energy: -0.731 local terms energy: -334.339845 where: bonds (distance) C4'-P energy: -60.236 bonds (distance) P-C4' energy: -65.252 flat angles C4'-P-C4' energy: -71.559 flat angles P-C4'-P energy: -53.271 tors. eta vs tors. theta energy: -84.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1002.939499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.939499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.939499 (E_RNA) where: Base-Base interactions energy: -676.615 where: short stacking energy: -296.639 Base-Backbone interact. energy: -0.283 local terms energy: -326.041710 where: bonds (distance) C4'-P energy: -52.050 bonds (distance) P-C4' energy: -55.166 flat angles C4'-P-C4' energy: -68.715 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: -99.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -837.524982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.524982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.524982 (E_RNA) where: Base-Base interactions energy: -558.691 where: short stacking energy: -220.761 Base-Backbone interact. energy: -0.317 local terms energy: -278.517754 where: bonds (distance) C4'-P energy: -64.614 bonds (distance) P-C4' energy: -60.214 flat angles C4'-P-C4' energy: -64.147 flat angles P-C4'-P energy: -31.082 tors. eta vs tors. theta energy: -58.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -824.451655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.451655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.451655 (E_RNA) where: Base-Base interactions energy: -529.450 where: short stacking energy: -241.291 Base-Backbone interact. energy: 0.757 local terms energy: -295.758348 where: bonds (distance) C4'-P energy: -73.635 bonds (distance) P-C4' energy: -57.138 flat angles C4'-P-C4' energy: -64.332 flat angles P-C4'-P energy: -41.816 tors. eta vs tors. theta energy: -58.836 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: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -778.740312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.740312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.740312 (E_RNA) where: Base-Base interactions energy: -500.983 where: short stacking energy: -217.562 Base-Backbone interact. energy: -4.380 local terms energy: -273.377594 where: bonds (distance) C4'-P energy: -56.390 bonds (distance) P-C4' energy: -51.745 flat angles C4'-P-C4' energy: -60.979 flat angles P-C4'-P energy: -45.754 tors. eta vs tors. theta energy: -58.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -582.731938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.731938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.731938 (E_RNA) where: Base-Base interactions energy: -352.322 where: short stacking energy: -153.878 Base-Backbone interact. energy: -2.734 local terms energy: -227.676081 where: bonds (distance) C4'-P energy: -54.022 bonds (distance) P-C4' energy: -52.946 flat angles C4'-P-C4' energy: -52.389 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -20.636 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: 8, replica: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -483.217348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.217348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.217348 (E_RNA) where: Base-Base interactions energy: -264.725 where: short stacking energy: -151.355 Base-Backbone interact. energy: -0.744 local terms energy: -217.748687 where: bonds (distance) C4'-P energy: -47.083 bonds (distance) P-C4' energy: -63.479 flat angles C4'-P-C4' energy: -42.845 flat angles P-C4'-P energy: -38.453 tors. eta vs tors. theta energy: -25.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -316.502187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.502187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.502187 (E_RNA) where: Base-Base interactions energy: -135.458 where: short stacking energy: -95.445 Base-Backbone interact. energy: 1.447 local terms energy: -182.491491 where: bonds (distance) C4'-P energy: -53.372 bonds (distance) P-C4' energy: -52.229 flat angles C4'-P-C4' energy: -43.725 flat angles P-C4'-P energy: -37.489 tors. eta vs tors. theta energy: 4.323 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: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -268.852347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.852347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.852347 (E_RNA) where: Base-Base interactions energy: -100.266 where: short stacking energy: -72.192 Base-Backbone interact. energy: 1.357 local terms energy: -169.943530 where: bonds (distance) C4'-P energy: -54.473 bonds (distance) P-C4' energy: -52.960 flat angles C4'-P-C4' energy: -43.452 flat angles P-C4'-P energy: -29.013 tors. eta vs tors. theta energy: 9.955 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: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1130.705452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.705452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.705452 (E_RNA) where: Base-Base interactions energy: -765.727 where: short stacking energy: -338.011 Base-Backbone interact. energy: -0.726 local terms energy: -364.252698 where: bonds (distance) C4'-P energy: -62.408 bonds (distance) P-C4' energy: -67.667 flat angles C4'-P-C4' energy: -77.423 flat angles P-C4'-P energy: -56.034 tors. eta vs tors. theta energy: -100.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1026.504342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.504342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.504342 (E_RNA) where: Base-Base interactions energy: -699.199 where: short stacking energy: -292.981 Base-Backbone interact. energy: -0.467 local terms energy: -326.838681 where: bonds (distance) C4'-P energy: -61.363 bonds (distance) P-C4' energy: -47.675 flat angles C4'-P-C4' energy: -73.289 flat angles P-C4'-P energy: -48.211 tors. eta vs tors. theta energy: -96.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1014.524572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.524572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.524572 (E_RNA) where: Base-Base interactions energy: -687.997 where: short stacking energy: -291.117 Base-Backbone interact. energy: -0.793 local terms energy: -325.734188 where: bonds (distance) C4'-P energy: -62.825 bonds (distance) P-C4' energy: -59.393 flat angles C4'-P-C4' energy: -64.503 flat angles P-C4'-P energy: -53.792 tors. eta vs tors. theta energy: -85.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -873.970822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.970822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.970822 (E_RNA) where: Base-Base interactions energy: -587.445 where: short stacking energy: -257.016 Base-Backbone interact. energy: 0.227 local terms energy: -286.753018 where: bonds (distance) C4'-P energy: -54.963 bonds (distance) P-C4' energy: -62.379 flat angles C4'-P-C4' energy: -55.630 flat angles P-C4'-P energy: -36.871 tors. eta vs tors. theta energy: -76.911 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: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -798.206619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.206619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.206619 (E_RNA) where: Base-Base interactions energy: -544.332 where: short stacking energy: -228.679 Base-Backbone interact. energy: -0.868 local terms energy: -253.007116 where: bonds (distance) C4'-P energy: -51.953 bonds (distance) P-C4' energy: -47.188 flat angles C4'-P-C4' energy: -53.331 flat angles P-C4'-P energy: -43.687 tors. eta vs tors. theta energy: -56.848 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: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -781.336043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.336043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.336043 (E_RNA) where: Base-Base interactions energy: -517.370 where: short stacking energy: -240.488 Base-Backbone interact. energy: -0.426 local terms energy: -263.539944 where: bonds (distance) C4'-P energy: -55.923 bonds (distance) P-C4' energy: -55.205 flat angles C4'-P-C4' energy: -53.799 flat angles P-C4'-P energy: -40.516 tors. eta vs tors. theta energy: -58.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -563.246690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.246690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.246690 (E_RNA) where: Base-Base interactions energy: -335.535 where: short stacking energy: -162.366 Base-Backbone interact. energy: -0.656 local terms energy: -227.055319 where: bonds (distance) C4'-P energy: -57.883 bonds (distance) P-C4' energy: -55.890 flat angles C4'-P-C4' energy: -54.651 flat angles P-C4'-P energy: -30.436 tors. eta vs tors. theta energy: -28.196 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: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -510.569270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.569270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.569270 (E_RNA) where: Base-Base interactions energy: -310.977 where: short stacking energy: -137.652 Base-Backbone interact. energy: -1.605 local terms energy: -197.987336 where: bonds (distance) C4'-P energy: -39.579 bonds (distance) P-C4' energy: -55.388 flat angles C4'-P-C4' energy: -50.308 flat angles P-C4'-P energy: -34.357 tors. eta vs tors. theta energy: -18.355 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: 3 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -281.783881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.783881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.783881 (E_RNA) where: Base-Base interactions energy: -80.605 where: short stacking energy: -71.438 Base-Backbone interact. energy: -0.112 local terms energy: -201.066547 where: bonds (distance) C4'-P energy: -57.635 bonds (distance) P-C4' energy: -57.378 flat angles C4'-P-C4' energy: -59.992 flat angles P-C4'-P energy: -30.217 tors. eta vs tors. theta energy: 4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -270.523482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.523482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.523482 (E_RNA) where: Base-Base interactions energy: -100.081 where: short stacking energy: -80.740 Base-Backbone interact. energy: 0.825 local terms energy: -171.267697 where: bonds (distance) C4'-P energy: -56.267 bonds (distance) P-C4' energy: -45.411 flat angles C4'-P-C4' energy: -55.120 flat angles P-C4'-P energy: -13.749 tors. eta vs tors. theta energy: -0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1114.091567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.091567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.091567 (E_RNA) where: Base-Base interactions energy: -762.515 where: short stacking energy: -334.967 Base-Backbone interact. energy: -0.143 local terms energy: -351.433772 where: bonds (distance) C4'-P energy: -59.580 bonds (distance) P-C4' energy: -65.706 flat angles C4'-P-C4' energy: -66.086 flat angles P-C4'-P energy: -53.005 tors. eta vs tors. theta energy: -107.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1018.901062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.901062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.901062 (E_RNA) where: Base-Base interactions energy: -696.106 where: short stacking energy: -298.158 Base-Backbone interact. energy: -1.911 local terms energy: -320.883184 where: bonds (distance) C4'-P energy: -64.008 bonds (distance) P-C4' energy: -56.506 flat angles C4'-P-C4' energy: -70.517 flat angles P-C4'-P energy: -46.138 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: 3, replica: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1028.786531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.786531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.786531 (E_RNA) where: Base-Base interactions energy: -678.395 where: short stacking energy: -298.376 Base-Backbone interact. energy: -2.099 local terms energy: -348.291955 where: bonds (distance) C4'-P energy: -59.483 bonds (distance) P-C4' energy: -62.487 flat angles C4'-P-C4' energy: -75.523 flat angles P-C4'-P energy: -49.342 tors. eta vs tors. theta energy: -101.458 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: 5 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -863.032640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.032640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.032640 (E_RNA) where: Base-Base interactions energy: -561.254 where: short stacking energy: -257.455 Base-Backbone interact. energy: -1.695 local terms energy: -300.083288 where: bonds (distance) C4'-P energy: -64.128 bonds (distance) P-C4' energy: -56.398 flat angles C4'-P-C4' energy: -57.058 flat angles P-C4'-P energy: -48.730 tors. eta vs tors. theta energy: -73.770 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: 1 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -826.568601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.568601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.568601 (E_RNA) where: Base-Base interactions energy: -527.482 where: short stacking energy: -227.039 Base-Backbone interact. energy: -0.237 local terms energy: -298.849498 where: bonds (distance) C4'-P energy: -62.770 bonds (distance) P-C4' energy: -63.209 flat angles C4'-P-C4' energy: -65.585 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: -69.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -765.486508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.486508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.486508 (E_RNA) where: Base-Base interactions energy: -494.379 where: short stacking energy: -223.946 Base-Backbone interact. energy: -0.677 local terms energy: -270.431140 where: bonds (distance) C4'-P energy: -49.562 bonds (distance) P-C4' energy: -65.212 flat angles C4'-P-C4' energy: -64.417 flat angles P-C4'-P energy: -33.557 tors. eta vs tors. theta energy: -57.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -562.997242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.997242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.997242 (E_RNA) where: Base-Base interactions energy: -324.791 where: short stacking energy: -171.943 Base-Backbone interact. energy: -1.006 local terms energy: -237.200873 where: bonds (distance) C4'-P energy: -55.260 bonds (distance) P-C4' energy: -65.194 flat angles C4'-P-C4' energy: -61.017 flat angles P-C4'-P energy: -22.818 tors. eta vs tors. theta energy: -32.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -462.406722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.406722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.406722 (E_RNA) where: Base-Base interactions energy: -256.287 where: short stacking energy: -134.912 Base-Backbone interact. energy: -1.996 local terms energy: -204.123717 where: bonds (distance) C4'-P energy: -51.819 bonds (distance) P-C4' energy: -55.108 flat angles C4'-P-C4' energy: -46.016 flat angles P-C4'-P energy: -33.920 tors. eta vs tors. theta energy: -17.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -316.351399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.351399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.351399 (E_RNA) where: Base-Base interactions energy: -138.852 where: short stacking energy: -74.194 Base-Backbone interact. energy: -1.132 local terms energy: -176.367654 where: bonds (distance) C4'-P energy: -60.336 bonds (distance) P-C4' energy: -60.354 flat angles C4'-P-C4' energy: -41.223 flat angles P-C4'-P energy: -28.961 tors. eta vs tors. theta energy: 14.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -265.077913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.077913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.077913 (E_RNA) where: Base-Base interactions energy: -88.898 where: short stacking energy: -75.081 Base-Backbone interact. energy: 2.139 local terms energy: -178.318901 where: bonds (distance) C4'-P energy: -59.267 bonds (distance) P-C4' energy: -42.889 flat angles C4'-P-C4' energy: -40.273 flat angles P-C4'-P energy: -37.512 tors. eta vs tors. theta energy: 1.621 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: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1129.374406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.374406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.374406 (E_RNA) where: Base-Base interactions energy: -767.469 where: short stacking energy: -339.088 Base-Backbone interact. energy: -0.244 local terms energy: -361.661653 where: bonds (distance) C4'-P energy: -61.757 bonds (distance) P-C4' energy: -71.822 flat angles C4'-P-C4' energy: -70.214 flat angles P-C4'-P energy: -49.223 tors. eta vs tors. theta energy: -108.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1006.493080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.493080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.493080 (E_RNA) where: Base-Base interactions energy: -672.781 where: short stacking energy: -297.431 Base-Backbone interact. energy: -0.344 local terms energy: -333.368189 where: bonds (distance) C4'-P energy: -58.316 bonds (distance) P-C4' energy: -62.416 flat angles C4'-P-C4' energy: -71.202 flat angles P-C4'-P energy: -52.150 tors. eta vs tors. theta energy: -89.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1032.451024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.451024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.451024 (E_RNA) where: Base-Base interactions energy: -692.038 where: short stacking energy: -298.336 Base-Backbone interact. energy: 0.095 local terms energy: -340.507968 where: bonds (distance) C4'-P energy: -63.067 bonds (distance) P-C4' energy: -54.135 flat angles C4'-P-C4' energy: -68.961 flat angles P-C4'-P energy: -54.192 tors. eta vs tors. theta energy: -100.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -878.578319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.578319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.578319 (E_RNA) where: Base-Base interactions energy: -570.224 where: short stacking energy: -246.710 Base-Backbone interact. energy: -0.978 local terms energy: -307.375991 where: bonds (distance) C4'-P energy: -63.144 bonds (distance) P-C4' energy: -63.175 flat angles C4'-P-C4' energy: -64.176 flat angles P-C4'-P energy: -43.732 tors. eta vs tors. theta energy: -73.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -808.700452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.700452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.700452 (E_RNA) where: Base-Base interactions energy: -516.092 where: short stacking energy: -209.444 Base-Backbone interact. energy: -1.269 local terms energy: -291.339516 where: bonds (distance) C4'-P energy: -55.361 bonds (distance) P-C4' energy: -67.424 flat angles C4'-P-C4' energy: -61.246 flat angles P-C4'-P energy: -38.885 tors. eta vs tors. theta energy: -68.424 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: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -739.409655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.409655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.409655 (E_RNA) where: Base-Base interactions energy: -477.815 where: short stacking energy: -211.241 Base-Backbone interact. energy: -0.345 local terms energy: -261.249183 where: bonds (distance) C4'-P energy: -56.825 bonds (distance) P-C4' energy: -57.158 flat angles C4'-P-C4' energy: -56.086 flat angles P-C4'-P energy: -35.701 tors. eta vs tors. theta energy: -55.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -541.559028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.559028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.559028 (E_RNA) where: Base-Base interactions energy: -311.250 where: short stacking energy: -163.420 Base-Backbone interact. energy: -1.083 local terms energy: -229.225640 where: bonds (distance) C4'-P energy: -55.506 bonds (distance) P-C4' energy: -52.949 flat angles C4'-P-C4' energy: -61.782 flat angles P-C4'-P energy: -31.138 tors. eta vs tors. theta energy: -27.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -507.727814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.727814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.727814 (E_RNA) where: Base-Base interactions energy: -273.488 where: short stacking energy: -144.830 Base-Backbone interact. energy: -1.215 local terms energy: -233.024604 where: bonds (distance) C4'-P energy: -57.314 bonds (distance) P-C4' energy: -58.729 flat angles C4'-P-C4' energy: -59.491 flat angles P-C4'-P energy: -28.798 tors. eta vs tors. theta energy: -28.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -390.210725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.210725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.210725 (E_RNA) where: Base-Base interactions energy: -207.357 where: short stacking energy: -113.824 Base-Backbone interact. energy: -0.457 local terms energy: -182.396801 where: bonds (distance) C4'-P energy: -44.047 bonds (distance) P-C4' energy: -54.677 flat angles C4'-P-C4' energy: -54.317 flat angles P-C4'-P energy: -25.661 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -263.236717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.236717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.236717 (E_RNA) where: Base-Base interactions energy: -98.221 where: short stacking energy: -81.697 Base-Backbone interact. energy: 0.191 local terms energy: -165.206249 where: bonds (distance) C4'-P energy: -51.632 bonds (distance) P-C4' energy: -53.011 flat angles C4'-P-C4' energy: -45.876 flat angles P-C4'-P energy: -26.872 tors. eta vs tors. theta energy: 12.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1124.242514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.242514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.242514 (E_RNA) where: Base-Base interactions energy: -776.307 where: short stacking energy: -344.935 Base-Backbone interact. energy: -0.565 local terms energy: -347.370339 where: bonds (distance) C4'-P energy: -57.066 bonds (distance) P-C4' energy: -60.267 flat angles C4'-P-C4' energy: -73.562 flat angles P-C4'-P energy: -47.495 tors. eta vs tors. theta energy: -108.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1055.192420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.192420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.192420 (E_RNA) where: Base-Base interactions energy: -709.894 where: short stacking energy: -306.453 Base-Backbone interact. energy: -0.846 local terms energy: -344.451626 where: bonds (distance) C4'-P energy: -60.784 bonds (distance) P-C4' energy: -59.388 flat angles C4'-P-C4' energy: -77.722 flat angles P-C4'-P energy: -48.731 tors. eta vs tors. theta energy: -97.827 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: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -991.787205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.787205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.787205 (E_RNA) where: Base-Base interactions energy: -674.826 where: short stacking energy: -281.552 Base-Backbone interact. energy: -0.410 local terms energy: -316.551363 where: bonds (distance) C4'-P energy: -61.646 bonds (distance) P-C4' energy: -59.515 flat angles C4'-P-C4' energy: -67.477 flat angles P-C4'-P energy: -33.217 tors. eta vs tors. theta energy: -94.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -902.794649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.794649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.794649 (E_RNA) where: Base-Base interactions energy: -593.976 where: short stacking energy: -256.444 Base-Backbone interact. energy: -1.427 local terms energy: -307.391677 where: bonds (distance) C4'-P energy: -59.245 bonds (distance) P-C4' energy: -59.576 flat angles C4'-P-C4' energy: -65.667 flat angles P-C4'-P energy: -48.263 tors. eta vs tors. theta energy: -74.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -828.831765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.831765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.831765 (E_RNA) where: Base-Base interactions energy: -552.335 where: short stacking energy: -241.913 Base-Backbone interact. energy: -0.947 local terms energy: -275.550587 where: bonds (distance) C4'-P energy: -53.757 bonds (distance) P-C4' energy: -60.733 flat angles C4'-P-C4' energy: -61.805 flat angles P-C4'-P energy: -37.160 tors. eta vs tors. theta energy: -62.095 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: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -746.419314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.419314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.419314 (E_RNA) where: Base-Base interactions energy: -492.227 where: short stacking energy: -202.740 Base-Backbone interact. energy: -0.701 local terms energy: -253.491065 where: bonds (distance) C4'-P energy: -60.434 bonds (distance) P-C4' energy: -45.212 flat angles C4'-P-C4' energy: -55.198 flat angles P-C4'-P energy: -41.844 tors. eta vs tors. theta energy: -50.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -521.410563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.410563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.410563 (E_RNA) where: Base-Base interactions energy: -286.341 where: short stacking energy: -137.538 Base-Backbone interact. energy: -0.203 local terms energy: -234.866653 where: bonds (distance) C4'-P energy: -51.918 bonds (distance) P-C4' energy: -59.666 flat angles C4'-P-C4' energy: -61.148 flat angles P-C4'-P energy: -35.986 tors. eta vs tors. theta energy: -26.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -490.262135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.262135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.262135 (E_RNA) where: Base-Base interactions energy: -281.502 where: short stacking energy: -141.713 Base-Backbone interact. energy: 2.928 local terms energy: -211.687606 where: bonds (distance) C4'-P energy: -52.208 bonds (distance) P-C4' energy: -60.617 flat angles C4'-P-C4' energy: -33.228 flat angles P-C4'-P energy: -34.632 tors. eta vs tors. theta energy: -31.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -380.838585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.838585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.838585 (E_RNA) where: Base-Base interactions energy: -172.040 where: short stacking energy: -104.482 Base-Backbone interact. energy: -0.193 local terms energy: -208.605954 where: bonds (distance) C4'-P energy: -46.861 bonds (distance) P-C4' energy: -61.386 flat angles C4'-P-C4' energy: -56.986 flat angles P-C4'-P energy: -29.814 tors. eta vs tors. theta energy: -13.559 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: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -246.810252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.810252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.810252 (E_RNA) where: Base-Base interactions energy: -81.605 where: short stacking energy: -64.856 Base-Backbone interact. energy: -0.812 local terms energy: -164.393463 where: bonds (distance) C4'-P energy: -45.137 bonds (distance) P-C4' energy: -65.310 flat angles C4'-P-C4' energy: -52.243 flat angles P-C4'-P energy: -18.688 tors. eta vs tors. theta energy: 16.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1109.433464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.433464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.433464 (E_RNA) where: Base-Base interactions energy: -756.938 where: short stacking energy: -338.258 Base-Backbone interact. energy: -1.539 local terms energy: -350.956318 where: bonds (distance) C4'-P energy: -57.471 bonds (distance) P-C4' energy: -63.577 flat angles C4'-P-C4' energy: -74.106 flat angles P-C4'-P energy: -52.615 tors. eta vs tors. theta energy: -103.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1043.588973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.588973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.588973 (E_RNA) where: Base-Base interactions energy: -697.482 where: short stacking energy: -303.218 Base-Backbone interact. energy: -0.665 local terms energy: -345.442348 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -63.249 flat angles C4'-P-C4' energy: -73.467 flat angles P-C4'-P energy: -46.913 tors. eta vs tors. theta energy: -101.624 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: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -997.817046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.817046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.817046 (E_RNA) where: Base-Base interactions energy: -668.905 where: short stacking energy: -286.019 Base-Backbone interact. energy: -0.070 local terms energy: -328.842396 where: bonds (distance) C4'-P energy: -65.020 bonds (distance) P-C4' energy: -60.891 flat angles C4'-P-C4' energy: -64.621 flat angles P-C4'-P energy: -46.779 tors. eta vs tors. theta energy: -91.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -903.889199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.889199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.889199 (E_RNA) where: Base-Base interactions energy: -592.572 where: short stacking energy: -263.630 Base-Backbone interact. energy: 1.050 local terms energy: -312.367180 where: bonds (distance) C4'-P energy: -56.410 bonds (distance) P-C4' energy: -63.564 flat angles C4'-P-C4' energy: -67.241 flat angles P-C4'-P energy: -47.018 tors. eta vs tors. theta energy: -78.134 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: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -877.541879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.541879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.541879 (E_RNA) where: Base-Base interactions energy: -581.661 where: short stacking energy: -251.057 Base-Backbone interact. energy: -0.903 local terms energy: -294.978337 where: bonds (distance) C4'-P energy: -57.250 bonds (distance) P-C4' energy: -51.443 flat angles C4'-P-C4' energy: -63.234 flat angles P-C4'-P energy: -45.919 tors. eta vs tors. theta energy: -77.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -732.058653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.058653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.058653 (E_RNA) where: Base-Base interactions energy: -488.415 where: short stacking energy: -201.456 Base-Backbone interact. energy: 0.456 local terms energy: -244.099662 where: bonds (distance) C4'-P energy: -54.564 bonds (distance) P-C4' energy: -45.364 flat angles C4'-P-C4' energy: -56.819 flat angles P-C4'-P energy: -31.997 tors. eta vs tors. theta energy: -55.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -496.789361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.789361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.789361 (E_RNA) where: Base-Base interactions energy: -285.536 where: short stacking energy: -159.842 Base-Backbone interact. energy: -0.764 local terms energy: -210.489852 where: bonds (distance) C4'-P energy: -40.572 bonds (distance) P-C4' energy: -54.203 flat angles C4'-P-C4' energy: -54.391 flat angles P-C4'-P energy: -37.793 tors. eta vs tors. theta energy: -23.530 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: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -502.207486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.207486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.207486 (E_RNA) where: Base-Base interactions energy: -290.989 where: short stacking energy: -140.826 Base-Backbone interact. energy: 1.090 local terms energy: -212.307967 where: bonds (distance) C4'-P energy: -51.360 bonds (distance) P-C4' energy: -50.161 flat angles C4'-P-C4' energy: -57.494 flat angles P-C4'-P energy: -33.172 tors. eta vs tors. theta energy: -20.121 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: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -349.095179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.095179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.095179 (E_RNA) where: Base-Base interactions energy: -147.308 where: short stacking energy: -99.889 Base-Backbone interact. energy: -0.828 local terms energy: -200.959169 where: bonds (distance) C4'-P energy: -68.117 bonds (distance) P-C4' energy: -56.402 flat angles C4'-P-C4' energy: -48.915 flat angles P-C4'-P energy: -22.750 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -266.671595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.671595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.671595 (E_RNA) where: Base-Base interactions energy: -88.973 where: short stacking energy: -79.794 Base-Backbone interact. energy: -1.077 local terms energy: -176.621668 where: bonds (distance) C4'-P energy: -45.437 bonds (distance) P-C4' energy: -60.757 flat angles C4'-P-C4' energy: -43.997 flat angles P-C4'-P energy: -35.122 tors. eta vs tors. theta energy: 8.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1121.466199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.466199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.466199 (E_RNA) where: Base-Base interactions energy: -780.367 where: short stacking energy: -356.728 Base-Backbone interact. energy: -0.269 local terms energy: -340.830391 where: bonds (distance) C4'-P energy: -57.888 bonds (distance) P-C4' energy: -53.772 flat angles C4'-P-C4' energy: -67.337 flat angles P-C4'-P energy: -51.947 tors. eta vs tors. theta energy: -109.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1040.956519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.956519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.956519 (E_RNA) where: Base-Base interactions energy: -694.938 where: short stacking energy: -304.204 Base-Backbone interact. energy: 0.123 local terms energy: -346.141324 where: bonds (distance) C4'-P energy: -65.893 bonds (distance) P-C4' energy: -59.191 flat angles C4'-P-C4' energy: -74.728 flat angles P-C4'-P energy: -41.307 tors. eta vs tors. theta energy: -105.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1005.154192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.154192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.154192 (E_RNA) where: Base-Base interactions energy: -698.078 where: short stacking energy: -288.926 Base-Backbone interact. energy: -1.719 local terms energy: -305.357437 where: bonds (distance) C4'-P energy: -65.381 bonds (distance) P-C4' energy: -53.790 flat angles C4'-P-C4' energy: -56.882 flat angles P-C4'-P energy: -40.656 tors. eta vs tors. theta energy: -88.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -917.086351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.086351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.086351 (E_RNA) where: Base-Base interactions energy: -605.638 where: short stacking energy: -276.659 Base-Backbone interact. energy: -0.311 local terms energy: -311.137255 where: bonds (distance) C4'-P energy: -53.962 bonds (distance) P-C4' energy: -52.647 flat angles C4'-P-C4' energy: -74.640 flat angles P-C4'-P energy: -42.752 tors. eta vs tors. theta energy: -87.137 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: 1 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -905.293369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.293369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.293369 (E_RNA) where: Base-Base interactions energy: -621.374 where: short stacking energy: -263.607 Base-Backbone interact. energy: -1.093 local terms energy: -282.826308 where: bonds (distance) C4'-P energy: -48.970 bonds (distance) P-C4' energy: -57.324 flat angles C4'-P-C4' energy: -62.375 flat angles P-C4'-P energy: -39.735 tors. eta vs tors. theta energy: -74.423 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: 6, replica: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -729.477871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.477871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.477871 (E_RNA) where: Base-Base interactions energy: -477.347 where: short stacking energy: -214.705 Base-Backbone interact. energy: 0.446 local terms energy: -252.577107 where: bonds (distance) C4'-P energy: -58.501 bonds (distance) P-C4' energy: -51.525 flat angles C4'-P-C4' energy: -57.059 flat angles P-C4'-P energy: -36.892 tors. eta vs tors. theta energy: -48.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -514.684218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.684218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.684218 (E_RNA) where: Base-Base interactions energy: -282.318 where: short stacking energy: -148.248 Base-Backbone interact. energy: -1.616 local terms energy: -230.751105 where: bonds (distance) C4'-P energy: -46.688 bonds (distance) P-C4' energy: -52.706 flat angles C4'-P-C4' energy: -57.453 flat angles P-C4'-P energy: -42.300 tors. eta vs tors. theta energy: -31.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -504.692105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.692105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.692105 (E_RNA) where: Base-Base interactions energy: -270.292 where: short stacking energy: -140.406 Base-Backbone interact. energy: -0.055 local terms energy: -234.345285 where: bonds (distance) C4'-P energy: -55.631 bonds (distance) P-C4' energy: -60.219 flat angles C4'-P-C4' energy: -65.934 flat angles P-C4'-P energy: -31.588 tors. eta vs tors. theta energy: -20.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -359.188794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.188794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.188794 (E_RNA) where: Base-Base interactions energy: -166.735 where: short stacking energy: -112.268 Base-Backbone interact. energy: 0.583 local terms energy: -193.036538 where: bonds (distance) C4'-P energy: -48.412 bonds (distance) P-C4' energy: -58.964 flat angles C4'-P-C4' energy: -50.447 flat angles P-C4'-P energy: -24.747 tors. eta vs tors. theta energy: -10.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -252.703944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.703944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.703944 (E_RNA) where: Base-Base interactions energy: -85.983 where: short stacking energy: -61.093 Base-Backbone interact. energy: -0.501 local terms energy: -166.219942 where: bonds (distance) C4'-P energy: -53.073 bonds (distance) P-C4' energy: -58.440 flat angles C4'-P-C4' energy: -47.976 flat angles P-C4'-P energy: -22.669 tors. eta vs tors. theta energy: 15.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1132.105302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.105302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.105302 (E_RNA) where: Base-Base interactions energy: -767.087 where: short stacking energy: -333.796 Base-Backbone interact. energy: 0.433 local terms energy: -365.451122 where: bonds (distance) C4'-P energy: -58.317 bonds (distance) P-C4' energy: -66.006 flat angles C4'-P-C4' energy: -76.580 flat angles P-C4'-P energy: -51.238 tors. eta vs tors. theta energy: -113.311 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: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1051.699313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.699313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.699313 (E_RNA) where: Base-Base interactions energy: -703.587 where: short stacking energy: -290.638 Base-Backbone interact. energy: -0.427 local terms energy: -347.685058 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -60.893 flat angles C4'-P-C4' energy: -67.845 flat angles P-C4'-P energy: -60.612 tors. eta vs tors. theta energy: -95.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -989.779351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.779351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.779351 (E_RNA) where: Base-Base interactions energy: -659.439 where: short stacking energy: -283.035 Base-Backbone interact. energy: -0.717 local terms energy: -329.623742 where: bonds (distance) C4'-P energy: -63.468 bonds (distance) P-C4' energy: -67.800 flat angles C4'-P-C4' energy: -74.987 flat angles P-C4'-P energy: -36.768 tors. eta vs tors. theta energy: -86.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -927.362503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.362503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.362503 (E_RNA) where: Base-Base interactions energy: -614.532 where: short stacking energy: -279.149 Base-Backbone interact. energy: -0.931 local terms energy: -311.899504 where: bonds (distance) C4'-P energy: -56.744 bonds (distance) P-C4' energy: -62.255 flat angles C4'-P-C4' energy: -66.859 flat angles P-C4'-P energy: -47.629 tors. eta vs tors. theta energy: -78.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -798.146199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.146199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.146199 (E_RNA) where: Base-Base interactions energy: -513.350 where: short stacking energy: -226.054 Base-Backbone interact. energy: -0.763 local terms energy: -284.033335 where: bonds (distance) C4'-P energy: -54.645 bonds (distance) P-C4' energy: -60.851 flat angles C4'-P-C4' energy: -63.665 flat angles P-C4'-P energy: -45.523 tors. eta vs tors. theta energy: -59.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -849.727920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.727920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.727920 (E_RNA) where: Base-Base interactions energy: -562.556 where: short stacking energy: -224.077 Base-Backbone interact. energy: 0.273 local terms energy: -287.444956 where: bonds (distance) C4'-P energy: -59.832 bonds (distance) P-C4' energy: -61.529 flat angles C4'-P-C4' energy: -57.195 flat angles P-C4'-P energy: -36.037 tors. eta vs tors. theta energy: -72.852 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: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -557.196268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.196268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.196268 (E_RNA) where: Base-Base interactions energy: -334.028 where: short stacking energy: -167.648 Base-Backbone interact. energy: 0.743 local terms energy: -223.911469 where: bonds (distance) C4'-P energy: -43.489 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -55.487 flat angles P-C4'-P energy: -34.915 tors. eta vs tors. theta energy: -28.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -482.521942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.521942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.521942 (E_RNA) where: Base-Base interactions energy: -244.462 where: short stacking energy: -130.708 Base-Backbone interact. energy: 1.319 local terms energy: -239.378097 where: bonds (distance) C4'-P energy: -65.223 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -56.143 flat angles P-C4'-P energy: -37.998 tors. eta vs tors. theta energy: -18.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -368.931955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.931955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.931955 (E_RNA) where: Base-Base interactions energy: -195.161 where: short stacking energy: -109.662 Base-Backbone interact. energy: 1.513 local terms energy: -175.284276 where: bonds (distance) C4'-P energy: -57.759 bonds (distance) P-C4' energy: -41.572 flat angles C4'-P-C4' energy: -47.621 flat angles P-C4'-P energy: -24.036 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -271.138722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.138722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.138722 (E_RNA) where: Base-Base interactions energy: -105.040 where: short stacking energy: -98.315 Base-Backbone interact. energy: -0.294 local terms energy: -165.804681 where: bonds (distance) C4'-P energy: -42.700 bonds (distance) P-C4' energy: -54.794 flat angles C4'-P-C4' energy: -33.107 flat angles P-C4'-P energy: -22.679 tors. eta vs tors. theta energy: -12.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1141.665918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.665918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.665918 (E_RNA) where: Base-Base interactions energy: -777.930 where: short stacking energy: -344.334 Base-Backbone interact. energy: -0.650 local terms energy: -363.086527 where: bonds (distance) C4'-P energy: -62.368 bonds (distance) P-C4' energy: -63.214 flat angles C4'-P-C4' energy: -75.149 flat angles P-C4'-P energy: -55.038 tors. eta vs tors. theta energy: -107.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1058.493126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.493126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.493126 (E_RNA) where: Base-Base interactions energy: -705.456 where: short stacking energy: -305.410 Base-Backbone interact. energy: -0.340 local terms energy: -352.696776 where: bonds (distance) C4'-P energy: -63.982 bonds (distance) P-C4' energy: -71.214 flat angles C4'-P-C4' energy: -76.831 flat angles P-C4'-P energy: -46.480 tors. eta vs tors. theta energy: -94.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -976.692077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.692077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.692077 (E_RNA) where: Base-Base interactions energy: -668.443 where: short stacking energy: -296.838 Base-Backbone interact. energy: -1.168 local terms energy: -307.081785 where: bonds (distance) C4'-P energy: -60.813 bonds (distance) P-C4' energy: -56.915 flat angles C4'-P-C4' energy: -58.339 flat angles P-C4'-P energy: -38.582 tors. eta vs tors. theta energy: -92.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -903.690672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.690672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.690672 (E_RNA) where: Base-Base interactions energy: -596.295 where: short stacking energy: -272.938 Base-Backbone interact. energy: -0.879 local terms energy: -306.516347 where: bonds (distance) C4'-P energy: -65.083 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -60.841 flat angles P-C4'-P energy: -42.228 tors. eta vs tors. theta energy: -74.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -794.744433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.744433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.744433 (E_RNA) where: Base-Base interactions energy: -512.913 where: short stacking energy: -242.215 Base-Backbone interact. energy: -0.591 local terms energy: -281.241108 where: bonds (distance) C4'-P energy: -60.942 bonds (distance) P-C4' energy: -69.764 flat angles C4'-P-C4' energy: -53.413 flat angles P-C4'-P energy: -35.803 tors. eta vs tors. theta energy: -61.320 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: 391 Temperature: 1.150000 Total energy: -783.150094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.150094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.150094 (E_RNA) where: Base-Base interactions energy: -502.392 where: short stacking energy: -218.519 Base-Backbone interact. energy: -0.124 local terms energy: -280.633886 where: bonds (distance) C4'-P energy: -58.818 bonds (distance) P-C4' energy: -54.979 flat angles C4'-P-C4' energy: -61.758 flat angles P-C4'-P energy: -35.833 tors. eta vs tors. theta energy: -69.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -505.999176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.999176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.999176 (E_RNA) where: Base-Base interactions energy: -281.189 where: short stacking energy: -155.037 Base-Backbone interact. energy: -1.984 local terms energy: -222.826416 where: bonds (distance) C4'-P energy: -56.195 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -52.278 flat angles P-C4'-P energy: -33.370 tors. eta vs tors. theta energy: -22.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -532.533377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.533377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.533377 (E_RNA) where: Base-Base interactions energy: -293.083 where: short stacking energy: -161.011 Base-Backbone interact. energy: -0.777 local terms energy: -238.673425 where: bonds (distance) C4'-P energy: -58.675 bonds (distance) P-C4' energy: -55.838 flat angles C4'-P-C4' energy: -67.223 flat angles P-C4'-P energy: -28.798 tors. eta vs tors. theta energy: -28.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -420.866688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.866688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.866688 (E_RNA) where: Base-Base interactions energy: -228.498 where: short stacking energy: -101.383 Base-Backbone interact. energy: -0.286 local terms energy: -192.082428 where: bonds (distance) C4'-P energy: -51.697 bonds (distance) P-C4' energy: -58.812 flat angles C4'-P-C4' energy: -46.471 flat angles P-C4'-P energy: -36.314 tors. eta vs tors. theta energy: 1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -257.920562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.920562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.920562 (E_RNA) where: Base-Base interactions energy: -75.758 where: short stacking energy: -62.229 Base-Backbone interact. energy: -2.074 local terms energy: -180.089485 where: bonds (distance) C4'-P energy: -63.873 bonds (distance) P-C4' energy: -56.573 flat angles C4'-P-C4' energy: -43.059 flat angles P-C4'-P energy: -20.065 tors. eta vs tors. theta energy: 3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1122.574088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.574088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.574088 (E_RNA) where: Base-Base interactions energy: -750.906 where: short stacking energy: -332.007 Base-Backbone interact. energy: -1.584 local terms energy: -370.083429 where: bonds (distance) C4'-P energy: -70.197 bonds (distance) P-C4' energy: -69.974 flat angles C4'-P-C4' energy: -72.162 flat angles P-C4'-P energy: -54.034 tors. eta vs tors. theta energy: -103.717 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: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1038.129117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.129117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.129117 (E_RNA) where: Base-Base interactions energy: -708.320 where: short stacking energy: -295.743 Base-Backbone interact. energy: -1.289 local terms energy: -328.519809 where: bonds (distance) C4'-P energy: -60.756 bonds (distance) P-C4' energy: -57.499 flat angles C4'-P-C4' energy: -73.936 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: -89.469 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: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -969.849441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.849441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.849441 (E_RNA) where: Base-Base interactions energy: -665.255 where: short stacking energy: -287.257 Base-Backbone interact. energy: -0.449 local terms energy: -304.145184 where: bonds (distance) C4'-P energy: -57.012 bonds (distance) P-C4' energy: -59.020 flat angles C4'-P-C4' energy: -67.053 flat angles P-C4'-P energy: -32.010 tors. eta vs tors. theta energy: -89.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -902.560668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.560668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.560668 (E_RNA) where: Base-Base interactions energy: -614.359 where: short stacking energy: -263.760 Base-Backbone interact. energy: -0.228 local terms energy: -287.973383 where: bonds (distance) C4'-P energy: -54.614 bonds (distance) P-C4' energy: -59.411 flat angles C4'-P-C4' energy: -64.661 flat angles P-C4'-P energy: -32.601 tors. eta vs tors. theta energy: -76.687 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: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -846.129599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.129599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.129599 (E_RNA) where: Base-Base interactions energy: -571.285 where: short stacking energy: -242.881 Base-Backbone interact. energy: -0.721 local terms energy: -274.123523 where: bonds (distance) C4'-P energy: -58.948 bonds (distance) P-C4' energy: -49.026 flat angles C4'-P-C4' energy: -61.378 flat angles P-C4'-P energy: -37.997 tors. eta vs tors. theta energy: -66.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -742.323512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.323512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.323512 (E_RNA) where: Base-Base interactions energy: -474.679 where: short stacking energy: -213.962 Base-Backbone interact. energy: -0.565 local terms energy: -267.079648 where: bonds (distance) C4'-P energy: -46.604 bonds (distance) P-C4' energy: -57.341 flat angles C4'-P-C4' energy: -54.854 flat angles P-C4'-P energy: -45.562 tors. eta vs tors. theta energy: -62.719 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: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -523.290420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.290420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.290420 (E_RNA) where: Base-Base interactions energy: -284.640 where: short stacking energy: -142.895 Base-Backbone interact. energy: 1.053 local terms energy: -239.703708 where: bonds (distance) C4'-P energy: -58.296 bonds (distance) P-C4' energy: -54.473 flat angles C4'-P-C4' energy: -57.335 flat angles P-C4'-P energy: -42.327 tors. eta vs tors. theta energy: -27.272 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: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -492.270826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.270826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.270826 (E_RNA) where: Base-Base interactions energy: -276.034 where: short stacking energy: -139.267 Base-Backbone interact. energy: -0.433 local terms energy: -215.803760 where: bonds (distance) C4'-P energy: -44.312 bonds (distance) P-C4' energy: -61.175 flat angles C4'-P-C4' energy: -54.610 flat angles P-C4'-P energy: -28.693 tors. eta vs tors. theta energy: -27.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -424.353677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.353677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.353677 (E_RNA) where: Base-Base interactions energy: -217.644 where: short stacking energy: -109.426 Base-Backbone interact. energy: 0.595 local terms energy: -207.305270 where: bonds (distance) C4'-P energy: -47.690 bonds (distance) P-C4' energy: -56.414 flat angles C4'-P-C4' energy: -55.914 flat angles P-C4'-P energy: -28.053 tors. eta vs tors. theta energy: -19.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -269.710756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.710756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.710756 (E_RNA) where: Base-Base interactions energy: -84.479 where: short stacking energy: -70.954 Base-Backbone interact. energy: 0.014 local terms energy: -185.245695 where: bonds (distance) C4'-P energy: -57.228 bonds (distance) P-C4' energy: -65.165 flat angles C4'-P-C4' energy: -44.918 flat angles P-C4'-P energy: -22.424 tors. eta vs tors. theta energy: 4.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1127.855457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.855457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.855457 (E_RNA) where: Base-Base interactions energy: -765.309 where: short stacking energy: -343.110 Base-Backbone interact. energy: -0.441 local terms energy: -362.106189 where: bonds (distance) C4'-P energy: -58.261 bonds (distance) P-C4' energy: -65.059 flat angles C4'-P-C4' energy: -75.068 flat angles P-C4'-P energy: -55.335 tors. eta vs tors. theta energy: -108.383 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: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1051.979119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.979119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.979119 (E_RNA) where: Base-Base interactions energy: -697.243 where: short stacking energy: -298.408 Base-Backbone interact. energy: -0.182 local terms energy: -354.553695 where: bonds (distance) C4'-P energy: -67.879 bonds (distance) P-C4' energy: -67.990 flat angles C4'-P-C4' energy: -70.764 flat angles P-C4'-P energy: -49.189 tors. eta vs tors. theta energy: -98.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -964.469279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.469279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.469279 (E_RNA) where: Base-Base interactions energy: -670.824 where: short stacking energy: -296.946 Base-Backbone interact. energy: 1.426 local terms energy: -295.070910 where: bonds (distance) C4'-P energy: -49.865 bonds (distance) P-C4' energy: -59.409 flat angles C4'-P-C4' energy: -60.550 flat angles P-C4'-P energy: -37.689 tors. eta vs tors. theta energy: -87.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -923.768000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.768000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.768000 (E_RNA) where: Base-Base interactions energy: -609.947 where: short stacking energy: -274.542 Base-Backbone interact. energy: -0.544 local terms energy: -313.276835 where: bonds (distance) C4'-P energy: -55.561 bonds (distance) P-C4' energy: -56.984 flat angles C4'-P-C4' energy: -66.275 flat angles P-C4'-P energy: -46.547 tors. eta vs tors. theta energy: -87.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -825.967823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.967823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.967823 (E_RNA) where: Base-Base interactions energy: -534.727 where: short stacking energy: -213.789 Base-Backbone interact. energy: -1.490 local terms energy: -289.750785 where: bonds (distance) C4'-P energy: -57.812 bonds (distance) P-C4' energy: -64.790 flat angles C4'-P-C4' energy: -57.341 flat angles P-C4'-P energy: -48.250 tors. eta vs tors. theta energy: -61.558 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: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -738.160792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.160792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.160792 (E_RNA) where: Base-Base interactions energy: -476.108 where: short stacking energy: -206.411 Base-Backbone interact. energy: -1.679 local terms energy: -260.374313 where: bonds (distance) C4'-P energy: -61.426 bonds (distance) P-C4' energy: -46.844 flat angles C4'-P-C4' energy: -61.104 flat angles P-C4'-P energy: -33.978 tors. eta vs tors. theta energy: -57.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -520.708626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.708626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.708626 (E_RNA) where: Base-Base interactions energy: -280.979 where: short stacking energy: -146.105 Base-Backbone interact. energy: -0.626 local terms energy: -239.103693 where: bonds (distance) C4'-P energy: -48.740 bonds (distance) P-C4' energy: -58.310 flat angles C4'-P-C4' energy: -66.598 flat angles P-C4'-P energy: -32.845 tors. eta vs tors. theta energy: -32.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -534.323283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.323283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.323283 (E_RNA) where: Base-Base interactions energy: -290.889 where: short stacking energy: -142.187 Base-Backbone interact. energy: -0.006 local terms energy: -243.427953 where: bonds (distance) C4'-P energy: -67.297 bonds (distance) P-C4' energy: -67.958 flat angles C4'-P-C4' energy: -45.825 flat angles P-C4'-P energy: -26.291 tors. eta vs tors. theta energy: -36.057 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: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -437.600862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.600862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.600862 (E_RNA) where: Base-Base interactions energy: -238.929 where: short stacking energy: -125.119 Base-Backbone interact. energy: -0.945 local terms energy: -197.726538 where: bonds (distance) C4'-P energy: -48.699 bonds (distance) P-C4' energy: -46.867 flat angles C4'-P-C4' energy: -45.149 flat angles P-C4'-P energy: -36.831 tors. eta vs tors. theta energy: -20.181 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: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -258.622944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.622944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.622944 (E_RNA) where: Base-Base interactions energy: -84.309 where: short stacking energy: -67.791 Base-Backbone interact. energy: -2.438 local terms energy: -171.876123 where: bonds (distance) C4'-P energy: -53.910 bonds (distance) P-C4' energy: -56.839 flat angles C4'-P-C4' energy: -57.682 flat angles P-C4'-P energy: -18.613 tors. eta vs tors. theta energy: 15.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1127.619303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.619303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.619303 (E_RNA) where: Base-Base interactions energy: -777.330 where: short stacking energy: -344.482 Base-Backbone interact. energy: -0.153 local terms energy: -350.136441 where: bonds (distance) C4'-P energy: -68.251 bonds (distance) P-C4' energy: -58.828 flat angles C4'-P-C4' energy: -60.765 flat angles P-C4'-P energy: -48.204 tors. eta vs tors. theta energy: -114.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1071.895855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.895855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.895855 (E_RNA) where: Base-Base interactions energy: -729.018 where: short stacking energy: -321.742 Base-Backbone interact. energy: 0.346 local terms energy: -343.223992 where: bonds (distance) C4'-P energy: -64.228 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -72.949 flat angles P-C4'-P energy: -47.190 tors. eta vs tors. theta energy: -100.474 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: 3, replica: 5 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -965.224542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.224542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.224542 (E_RNA) where: Base-Base interactions energy: -646.154 where: short stacking energy: -270.774 Base-Backbone interact. energy: -1.805 local terms energy: -317.265300 where: bonds (distance) C4'-P energy: -58.170 bonds (distance) P-C4' energy: -67.102 flat angles C4'-P-C4' energy: -61.018 flat angles P-C4'-P energy: -43.228 tors. eta vs tors. theta energy: -87.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -925.606806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.606806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.606806 (E_RNA) where: Base-Base interactions energy: -607.414 where: short stacking energy: -250.448 Base-Backbone interact. energy: -1.147 local terms energy: -317.045771 where: bonds (distance) C4'-P energy: -61.882 bonds (distance) P-C4' energy: -59.729 flat angles C4'-P-C4' energy: -67.633 flat angles P-C4'-P energy: -42.034 tors. eta vs tors. theta energy: -85.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -882.093639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.093639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.093639 (E_RNA) where: Base-Base interactions energy: -596.583 where: short stacking energy: -256.538 Base-Backbone interact. energy: 0.011 local terms energy: -285.522188 where: bonds (distance) C4'-P energy: -50.630 bonds (distance) P-C4' energy: -51.078 flat angles C4'-P-C4' energy: -56.381 flat angles P-C4'-P energy: -41.087 tors. eta vs tors. theta energy: -86.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -715.704260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.704260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.704260 (E_RNA) where: Base-Base interactions energy: -453.212 where: short stacking energy: -203.829 Base-Backbone interact. energy: -2.313 local terms energy: -260.178302 where: bonds (distance) C4'-P energy: -56.916 bonds (distance) P-C4' energy: -59.597 flat angles C4'-P-C4' energy: -52.879 flat angles P-C4'-P energy: -34.903 tors. eta vs tors. theta energy: -55.883 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: 394 Temperature: 1.200000 Total energy: -499.806063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.806063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.806063 (E_RNA) where: Base-Base interactions energy: -281.708 where: short stacking energy: -148.282 Base-Backbone interact. energy: 2.133 local terms energy: -220.230897 where: bonds (distance) C4'-P energy: -56.006 bonds (distance) P-C4' energy: -67.507 flat angles C4'-P-C4' energy: -41.605 flat angles P-C4'-P energy: -32.789 tors. eta vs tors. theta energy: -22.323 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: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -499.208212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.208212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.208212 (E_RNA) where: Base-Base interactions energy: -273.736 where: short stacking energy: -143.481 Base-Backbone interact. energy: 0.026 local terms energy: -225.498280 where: bonds (distance) C4'-P energy: -57.703 bonds (distance) P-C4' energy: -57.203 flat angles C4'-P-C4' energy: -50.591 flat angles P-C4'-P energy: -32.272 tors. eta vs tors. theta energy: -27.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -421.297681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.297681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.297681 (E_RNA) where: Base-Base interactions energy: -236.268 where: short stacking energy: -132.898 Base-Backbone interact. energy: -1.468 local terms energy: -183.561247 where: bonds (distance) C4'-P energy: -58.550 bonds (distance) P-C4' energy: -42.369 flat angles C4'-P-C4' energy: -47.820 flat angles P-C4'-P energy: -23.102 tors. eta vs tors. theta energy: -11.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -276.659851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.659851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.659851 (E_RNA) where: Base-Base interactions energy: -95.990 where: short stacking energy: -73.951 Base-Backbone interact. energy: 0.715 local terms energy: -181.384924 where: bonds (distance) C4'-P energy: -46.921 bonds (distance) P-C4' energy: -59.619 flat angles C4'-P-C4' energy: -55.503 flat angles P-C4'-P energy: -28.240 tors. eta vs tors. theta energy: 8.898 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: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1104.459180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.459180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.459180 (E_RNA) where: Base-Base interactions energy: -749.146 where: short stacking energy: -329.597 Base-Backbone interact. energy: -0.934 local terms energy: -354.379327 where: bonds (distance) C4'-P energy: -51.402 bonds (distance) P-C4' energy: -65.079 flat angles C4'-P-C4' energy: -69.257 flat angles P-C4'-P energy: -56.175 tors. eta vs tors. theta energy: -112.466 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: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1070.543555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.543555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.543555 (E_RNA) where: Base-Base interactions energy: -723.635 where: short stacking energy: -310.619 Base-Backbone interact. energy: -0.359 local terms energy: -346.549237 where: bonds (distance) C4'-P energy: -64.558 bonds (distance) P-C4' energy: -60.628 flat angles C4'-P-C4' energy: -69.541 flat angles P-C4'-P energy: -49.556 tors. eta vs tors. theta energy: -102.266 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: 5 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -967.298510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.298510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.298510 (E_RNA) where: Base-Base interactions energy: -643.571 where: short stacking energy: -270.976 Base-Backbone interact. energy: -2.817 local terms energy: -320.911174 where: bonds (distance) C4'-P energy: -59.275 bonds (distance) P-C4' energy: -54.826 flat angles C4'-P-C4' energy: -69.402 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -86.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -935.195284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.195284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.195284 (E_RNA) where: Base-Base interactions energy: -622.443 where: short stacking energy: -267.909 Base-Backbone interact. energy: 0.069 local terms energy: -312.821347 where: bonds (distance) C4'-P energy: -60.919 bonds (distance) P-C4' energy: -63.189 flat angles C4'-P-C4' energy: -67.204 flat angles P-C4'-P energy: -36.172 tors. eta vs tors. theta energy: -85.338 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: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -896.094942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.094942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.094942 (E_RNA) where: Base-Base interactions energy: -596.726 where: short stacking energy: -265.647 Base-Backbone interact. energy: -0.673 local terms energy: -298.695558 where: bonds (distance) C4'-P energy: -54.012 bonds (distance) P-C4' energy: -59.325 flat angles C4'-P-C4' energy: -60.069 flat angles P-C4'-P energy: -44.059 tors. eta vs tors. theta energy: -81.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -726.479372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.479372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.479372 (E_RNA) where: Base-Base interactions energy: -469.557 where: short stacking energy: -201.566 Base-Backbone interact. energy: -2.689 local terms energy: -254.233730 where: bonds (distance) C4'-P energy: -45.948 bonds (distance) P-C4' energy: -65.443 flat angles C4'-P-C4' energy: -57.799 flat angles P-C4'-P energy: -34.840 tors. eta vs tors. theta energy: -50.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -515.709589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.709589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.709589 (E_RNA) where: Base-Base interactions energy: -293.472 where: short stacking energy: -133.020 Base-Backbone interact. energy: -2.027 local terms energy: -220.210191 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -53.200 flat angles C4'-P-C4' energy: -48.050 flat angles P-C4'-P energy: -41.701 tors. eta vs tors. theta energy: -14.326 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: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -490.846695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.846695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.846695 (E_RNA) where: Base-Base interactions energy: -280.676 where: short stacking energy: -130.037 Base-Backbone interact. energy: -0.606 local terms energy: -209.564623 where: bonds (distance) C4'-P energy: -55.904 bonds (distance) P-C4' energy: -48.958 flat angles C4'-P-C4' energy: -51.397 flat angles P-C4'-P energy: -36.581 tors. eta vs tors. theta energy: -16.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -474.001445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.001445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.001445 (E_RNA) where: Base-Base interactions energy: -265.415 where: short stacking energy: -130.292 Base-Backbone interact. energy: 5.754 local terms energy: -214.340731 where: bonds (distance) C4'-P energy: -58.747 bonds (distance) P-C4' energy: -52.574 flat angles C4'-P-C4' energy: -56.859 flat angles P-C4'-P energy: -27.848 tors. eta vs tors. theta energy: -18.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -261.361568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.361568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.361568 (E_RNA) where: Base-Base interactions energy: -87.086 where: short stacking energy: -55.789 Base-Backbone interact. energy: 2.687 local terms energy: -176.962889 where: bonds (distance) C4'-P energy: -49.914 bonds (distance) P-C4' energy: -56.502 flat angles C4'-P-C4' energy: -46.896 flat angles P-C4'-P energy: -39.167 tors. eta vs tors. theta energy: 15.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1078.033836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.033836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.033836 (E_RNA) where: Base-Base interactions energy: -719.491 where: short stacking energy: -329.132 Base-Backbone interact. energy: -0.471 local terms energy: -358.071734 where: bonds (distance) C4'-P energy: -64.899 bonds (distance) P-C4' energy: -69.535 flat angles C4'-P-C4' energy: -74.611 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -99.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1074.153046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.153046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.153046 (E_RNA) where: Base-Base interactions energy: -737.102 where: short stacking energy: -330.606 Base-Backbone interact. energy: -2.022 local terms energy: -335.028373 where: bonds (distance) C4'-P energy: -59.125 bonds (distance) P-C4' energy: -62.909 flat angles C4'-P-C4' energy: -71.854 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -103.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -952.170273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.170273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.170273 (E_RNA) where: Base-Base interactions energy: -626.964 where: short stacking energy: -286.480 Base-Backbone interact. energy: -2.884 local terms energy: -322.322043 where: bonds (distance) C4'-P energy: -62.441 bonds (distance) P-C4' energy: -63.225 flat angles C4'-P-C4' energy: -66.403 flat angles P-C4'-P energy: -44.336 tors. eta vs tors. theta energy: -85.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -925.738288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.738288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.738288 (E_RNA) where: Base-Base interactions energy: -626.617 where: short stacking energy: -252.856 Base-Backbone interact. energy: -1.296 local terms energy: -297.825125 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -51.893 flat angles C4'-P-C4' energy: -64.247 flat angles P-C4'-P energy: -44.889 tors. eta vs tors. theta energy: -76.322 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: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -915.501476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.501476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.501476 (E_RNA) where: Base-Base interactions energy: -624.706 where: short stacking energy: -272.817 Base-Backbone interact. energy: -0.855 local terms energy: -289.940335 where: bonds (distance) C4'-P energy: -45.009 bonds (distance) P-C4' energy: -66.282 flat angles C4'-P-C4' energy: -56.739 flat angles P-C4'-P energy: -41.683 tors. eta vs tors. theta energy: -80.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -769.863583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.863583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.863583 (E_RNA) where: Base-Base interactions energy: -503.914 where: short stacking energy: -226.165 Base-Backbone interact. energy: -1.551 local terms energy: -264.398824 where: bonds (distance) C4'-P energy: -53.954 bonds (distance) P-C4' energy: -67.775 flat angles C4'-P-C4' energy: -68.654 flat angles P-C4'-P energy: -20.682 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: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -552.218782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.218782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.218782 (E_RNA) where: Base-Base interactions energy: -320.441 where: short stacking energy: -162.554 Base-Backbone interact. energy: 2.998 local terms energy: -234.775767 where: bonds (distance) C4'-P energy: -56.215 bonds (distance) P-C4' energy: -54.009 flat angles C4'-P-C4' energy: -57.415 flat angles P-C4'-P energy: -46.624 tors. eta vs tors. theta energy: -20.512 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: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -510.850540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.850540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.850540 (E_RNA) where: Base-Base interactions energy: -285.987 where: short stacking energy: -129.750 Base-Backbone interact. energy: -0.578 local terms energy: -224.285499 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -51.312 flat angles C4'-P-C4' energy: -52.839 flat angles P-C4'-P energy: -41.501 tors. eta vs tors. theta energy: -20.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -468.979325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.979325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.979325 (E_RNA) where: Base-Base interactions energy: -258.023 where: short stacking energy: -139.722 Base-Backbone interact. energy: -1.040 local terms energy: -209.916526 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -52.225 flat angles C4'-P-C4' energy: -52.566 flat angles P-C4'-P energy: -25.477 tors. eta vs tors. theta energy: -21.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -249.107175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.107175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.107175 (E_RNA) where: Base-Base interactions energy: -83.974 where: short stacking energy: -79.379 Base-Backbone interact. energy: -0.091 local terms energy: -165.041915 where: bonds (distance) C4'-P energy: -46.044 bonds (distance) P-C4' energy: -54.736 flat angles C4'-P-C4' energy: -38.035 flat angles P-C4'-P energy: -19.381 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1070.814382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.814382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.814382 (E_RNA) where: Base-Base interactions energy: -716.380 where: short stacking energy: -318.123 Base-Backbone interact. energy: -0.763 local terms energy: -353.671769 where: bonds (distance) C4'-P energy: -62.049 bonds (distance) P-C4' energy: -62.559 flat angles C4'-P-C4' energy: -74.072 flat angles P-C4'-P energy: -49.669 tors. eta vs tors. theta energy: -105.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1077.579717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.579717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.579717 (E_RNA) where: Base-Base interactions energy: -725.295 where: short stacking energy: -314.884 Base-Backbone interact. energy: -0.344 local terms energy: -351.941407 where: bonds (distance) C4'-P energy: -62.442 bonds (distance) P-C4' energy: -58.732 flat angles C4'-P-C4' energy: -72.700 flat angles P-C4'-P energy: -52.545 tors. eta vs tors. theta energy: -105.523 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: 5 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -964.460055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.460055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.460055 (E_RNA) where: Base-Base interactions energy: -634.212 where: short stacking energy: -277.753 Base-Backbone interact. energy: -1.001 local terms energy: -329.246276 where: bonds (distance) C4'-P energy: -59.116 bonds (distance) P-C4' energy: -61.700 flat angles C4'-P-C4' energy: -70.513 flat angles P-C4'-P energy: -39.735 tors. eta vs tors. theta energy: -98.182 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: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -906.329710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.329710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.329710 (E_RNA) where: Base-Base interactions energy: -598.548 where: short stacking energy: -249.912 Base-Backbone interact. energy: -1.430 local terms energy: -306.351430 where: bonds (distance) C4'-P energy: -59.520 bonds (distance) P-C4' energy: -64.270 flat angles C4'-P-C4' energy: -67.254 flat angles P-C4'-P energy: -45.507 tors. eta vs tors. theta energy: -69.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -887.675814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.675814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.675814 (E_RNA) where: Base-Base interactions energy: -607.582 where: short stacking energy: -265.959 Base-Backbone interact. energy: -0.259 local terms energy: -279.834414 where: bonds (distance) C4'-P energy: -50.295 bonds (distance) P-C4' energy: -42.460 flat angles C4'-P-C4' energy: -72.454 flat angles P-C4'-P energy: -38.341 tors. eta vs tors. theta energy: -76.285 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: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -744.790091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.790091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.790091 (E_RNA) where: Base-Base interactions energy: -467.515 where: short stacking energy: -218.743 Base-Backbone interact. energy: -1.069 local terms energy: -276.206548 where: bonds (distance) C4'-P energy: -58.357 bonds (distance) P-C4' energy: -60.120 flat angles C4'-P-C4' energy: -61.602 flat angles P-C4'-P energy: -35.024 tors. eta vs tors. theta energy: -61.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -484.180896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.180896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.180896 (E_RNA) where: Base-Base interactions energy: -266.426 where: short stacking energy: -141.492 Base-Backbone interact. energy: 1.746 local terms energy: -219.501003 where: bonds (distance) C4'-P energy: -55.927 bonds (distance) P-C4' energy: -55.343 flat angles C4'-P-C4' energy: -54.264 flat angles P-C4'-P energy: -37.156 tors. eta vs tors. theta energy: -16.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -511.920592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.920592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.920592 (E_RNA) where: Base-Base interactions energy: -280.856 where: short stacking energy: -146.279 Base-Backbone interact. energy: 1.639 local terms energy: -232.703469 where: bonds (distance) C4'-P energy: -58.508 bonds (distance) P-C4' energy: -59.413 flat angles C4'-P-C4' energy: -54.590 flat angles P-C4'-P energy: -35.614 tors. eta vs tors. theta energy: -24.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -461.947358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.947358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.947358 (E_RNA) where: Base-Base interactions energy: -257.527 where: short stacking energy: -133.926 Base-Backbone interact. energy: -2.092 local terms energy: -202.328446 where: bonds (distance) C4'-P energy: -49.170 bonds (distance) P-C4' energy: -53.920 flat angles C4'-P-C4' energy: -51.020 flat angles P-C4'-P energy: -22.343 tors. eta vs tors. theta energy: -25.876 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: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -273.908673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.908673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.908673 (E_RNA) where: Base-Base interactions energy: -105.728 where: short stacking energy: -80.493 Base-Backbone interact. energy: 0.874 local terms energy: -169.054430 where: bonds (distance) C4'-P energy: -50.537 bonds (distance) P-C4' energy: -54.670 flat angles C4'-P-C4' energy: -48.128 flat angles P-C4'-P energy: -25.297 tors. eta vs tors. theta energy: 9.578 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: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1088.161564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.161564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.161564 (E_RNA) where: Base-Base interactions energy: -743.336 where: short stacking energy: -330.006 Base-Backbone interact. energy: -0.862 local terms energy: -343.963872 where: bonds (distance) C4'-P energy: -67.703 bonds (distance) P-C4' energy: -48.942 flat angles C4'-P-C4' energy: -71.102 flat angles P-C4'-P energy: -51.250 tors. eta vs tors. theta energy: -104.966 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: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1099.775841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.775841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.775841 (E_RNA) where: Base-Base interactions energy: -730.826 where: short stacking energy: -309.819 Base-Backbone interact. energy: -1.259 local terms energy: -367.691170 where: bonds (distance) C4'-P energy: -67.920 bonds (distance) P-C4' energy: -72.768 flat angles C4'-P-C4' energy: -75.415 flat angles P-C4'-P energy: -53.648 tors. eta vs tors. theta energy: -97.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -959.782930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.782930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.782930 (E_RNA) where: Base-Base interactions energy: -629.575 where: short stacking energy: -268.704 Base-Backbone interact. energy: -0.669 local terms energy: -329.538735 where: bonds (distance) C4'-P energy: -61.918 bonds (distance) P-C4' energy: -62.190 flat angles C4'-P-C4' energy: -70.756 flat angles P-C4'-P energy: -51.712 tors. eta vs tors. theta energy: -82.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -941.525736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.525736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.525736 (E_RNA) where: Base-Base interactions energy: -619.187 where: short stacking energy: -271.569 Base-Backbone interact. energy: -1.054 local terms energy: -321.283901 where: bonds (distance) C4'-P energy: -65.836 bonds (distance) P-C4' energy: -54.797 flat angles C4'-P-C4' energy: -67.207 flat angles P-C4'-P energy: -43.734 tors. eta vs tors. theta energy: -89.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -885.870892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.870892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.870892 (E_RNA) where: Base-Base interactions energy: -579.945 where: short stacking energy: -257.359 Base-Backbone interact. energy: 5.369 local terms energy: -311.294914 where: bonds (distance) C4'-P energy: -70.067 bonds (distance) P-C4' energy: -51.261 flat angles C4'-P-C4' energy: -64.180 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -78.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -785.127459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.127459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.127459 (E_RNA) where: Base-Base interactions energy: -515.302 where: short stacking energy: -237.887 Base-Backbone interact. energy: 1.302 local terms energy: -271.128155 where: bonds (distance) C4'-P energy: -50.292 bonds (distance) P-C4' energy: -60.022 flat angles C4'-P-C4' energy: -52.110 flat angles P-C4'-P energy: -42.909 tors. eta vs tors. theta energy: -65.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -504.445036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.445036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.445036 (E_RNA) where: Base-Base interactions energy: -275.451 where: short stacking energy: -149.679 Base-Backbone interact. energy: -0.048 local terms energy: -228.946025 where: bonds (distance) C4'-P energy: -61.165 bonds (distance) P-C4' energy: -58.365 flat angles C4'-P-C4' energy: -59.286 flat angles P-C4'-P energy: -26.277 tors. eta vs tors. theta energy: -23.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -545.434760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.434760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.434760 (E_RNA) where: Base-Base interactions energy: -325.026 where: short stacking energy: -161.710 Base-Backbone interact. energy: -2.047 local terms energy: -218.361781 where: bonds (distance) C4'-P energy: -56.043 bonds (distance) P-C4' energy: -53.640 flat angles C4'-P-C4' energy: -44.710 flat angles P-C4'-P energy: -31.386 tors. eta vs tors. theta energy: -32.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -469.222599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.222599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.222599 (E_RNA) where: Base-Base interactions energy: -264.213 where: short stacking energy: -124.352 Base-Backbone interact. energy: -0.417 local terms energy: -204.593109 where: bonds (distance) C4'-P energy: -59.839 bonds (distance) P-C4' energy: -48.443 flat angles C4'-P-C4' energy: -49.667 flat angles P-C4'-P energy: -32.173 tors. eta vs tors. theta energy: -14.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -273.134214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.134214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.134214 (E_RNA) where: Base-Base interactions energy: -93.869 where: short stacking energy: -62.101 Base-Backbone interact. energy: -1.782 local terms energy: -177.483211 where: bonds (distance) C4'-P energy: -46.286 bonds (distance) P-C4' energy: -59.328 flat angles C4'-P-C4' energy: -61.834 flat angles P-C4'-P energy: -27.905 tors. eta vs tors. theta energy: 17.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1087.473701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.473701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.473701 (E_RNA) where: Base-Base interactions energy: -721.836 where: short stacking energy: -319.455 Base-Backbone interact. energy: -1.567 local terms energy: -364.071419 where: bonds (distance) C4'-P energy: -73.306 bonds (distance) P-C4' energy: -66.475 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -49.189 tors. eta vs tors. theta energy: -104.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1118.125213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.125213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.125213 (E_RNA) where: Base-Base interactions energy: -764.250 where: short stacking energy: -323.171 Base-Backbone interact. energy: -0.650 local terms energy: -353.224717 where: bonds (distance) C4'-P energy: -66.289 bonds (distance) P-C4' energy: -59.637 flat angles C4'-P-C4' energy: -72.169 flat angles P-C4'-P energy: -53.996 tors. eta vs tors. theta energy: -101.134 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: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -976.828235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.828235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.828235 (E_RNA) where: Base-Base interactions energy: -648.028 where: short stacking energy: -288.381 Base-Backbone interact. energy: 0.280 local terms energy: -329.079755 where: bonds (distance) C4'-P energy: -55.426 bonds (distance) P-C4' energy: -70.812 flat angles C4'-P-C4' energy: -77.417 flat angles P-C4'-P energy: -46.993 tors. eta vs tors. theta energy: -78.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -943.485877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.485877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.485877 (E_RNA) where: Base-Base interactions energy: -622.062 where: short stacking energy: -282.045 Base-Backbone interact. energy: 0.684 local terms energy: -322.108157 where: bonds (distance) C4'-P energy: -59.843 bonds (distance) P-C4' energy: -59.987 flat angles C4'-P-C4' energy: -65.322 flat angles P-C4'-P energy: -42.163 tors. eta vs tors. theta energy: -94.793 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: 5, replica: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -895.019375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.019375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.019375 (E_RNA) where: Base-Base interactions energy: -599.680 where: short stacking energy: -270.359 Base-Backbone interact. energy: 0.255 local terms energy: -295.594431 where: bonds (distance) C4'-P energy: -52.594 bonds (distance) P-C4' energy: -60.881 flat angles C4'-P-C4' energy: -65.835 flat angles P-C4'-P energy: -44.069 tors. eta vs tors. theta energy: -72.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -796.138773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.138773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.138773 (E_RNA) where: Base-Base interactions energy: -533.292 where: short stacking energy: -227.935 Base-Backbone interact. energy: -1.729 local terms energy: -261.118075 where: bonds (distance) C4'-P energy: -56.907 bonds (distance) P-C4' energy: -51.319 flat angles C4'-P-C4' energy: -55.367 flat angles P-C4'-P energy: -34.153 tors. eta vs tors. theta energy: -63.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -497.174084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.174084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.174084 (E_RNA) where: Base-Base interactions energy: -296.008 where: short stacking energy: -163.257 Base-Backbone interact. energy: -0.441 local terms energy: -200.724279 where: bonds (distance) C4'-P energy: -49.355 bonds (distance) P-C4' energy: -56.136 flat angles C4'-P-C4' energy: -45.944 flat angles P-C4'-P energy: -18.587 tors. eta vs tors. theta energy: -30.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -517.954761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.954761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.954761 (E_RNA) where: Base-Base interactions energy: -298.083 where: short stacking energy: -145.853 Base-Backbone interact. energy: -1.057 local terms energy: -218.815257 where: bonds (distance) C4'-P energy: -51.207 bonds (distance) P-C4' energy: -53.773 flat angles C4'-P-C4' energy: -56.939 flat angles P-C4'-P energy: -31.510 tors. eta vs tors. theta energy: -25.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -448.394597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.394597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.394597 (E_RNA) where: Base-Base interactions energy: -246.945 where: short stacking energy: -113.684 Base-Backbone interact. energy: 0.592 local terms energy: -202.041433 where: bonds (distance) C4'-P energy: -63.110 bonds (distance) P-C4' energy: -39.552 flat angles C4'-P-C4' energy: -57.587 flat angles P-C4'-P energy: -35.386 tors. eta vs tors. theta energy: -6.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -265.915340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.915340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.915340 (E_RNA) where: Base-Base interactions energy: -86.367 where: short stacking energy: -67.901 Base-Backbone interact. energy: 1.398 local terms energy: -180.946078 where: bonds (distance) C4'-P energy: -54.276 bonds (distance) P-C4' energy: -65.111 flat angles C4'-P-C4' energy: -39.434 flat angles P-C4'-P energy: -33.005 tors. eta vs tors. theta energy: 10.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1096.444587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.444587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.444587 (E_RNA) where: Base-Base interactions energy: -735.500 where: short stacking energy: -328.685 Base-Backbone interact. energy: -0.711 local terms energy: -360.233619 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -71.505 flat angles C4'-P-C4' energy: -77.273 flat angles P-C4'-P energy: -49.811 tors. eta vs tors. theta energy: -99.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1094.370299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.370299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.370299 (E_RNA) where: Base-Base interactions energy: -754.151 where: short stacking energy: -313.729 Base-Backbone interact. energy: -0.391 local terms energy: -339.828302 where: bonds (distance) C4'-P energy: -56.657 bonds (distance) P-C4' energy: -61.785 flat angles C4'-P-C4' energy: -72.511 flat angles P-C4'-P energy: -46.114 tors. eta vs tors. theta energy: -102.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1002.534754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.534754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.534754 (E_RNA) where: Base-Base interactions energy: -678.326 where: short stacking energy: -273.367 Base-Backbone interact. energy: -3.220 local terms energy: -320.988723 where: bonds (distance) C4'-P energy: -52.013 bonds (distance) P-C4' energy: -66.138 flat angles C4'-P-C4' energy: -61.761 flat angles P-C4'-P energy: -47.117 tors. eta vs tors. theta energy: -93.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -931.522060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.522060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.522060 (E_RNA) where: Base-Base interactions energy: -616.562 where: short stacking energy: -289.990 Base-Backbone interact. energy: -3.032 local terms energy: -311.927773 where: bonds (distance) C4'-P energy: -46.692 bonds (distance) P-C4' energy: -67.075 flat angles C4'-P-C4' energy: -70.067 flat angles P-C4'-P energy: -49.331 tors. eta vs tors. theta energy: -78.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -870.595413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.595413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.595413 (E_RNA) where: Base-Base interactions energy: -577.896 where: short stacking energy: -247.964 Base-Backbone interact. energy: -2.634 local terms energy: -290.065424 where: bonds (distance) C4'-P energy: -69.194 bonds (distance) P-C4' energy: -52.930 flat angles C4'-P-C4' energy: -57.287 flat angles P-C4'-P energy: -37.844 tors. eta vs tors. theta energy: -72.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -783.835572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.835572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.835572 (E_RNA) where: Base-Base interactions energy: -529.066 where: short stacking energy: -223.531 Base-Backbone interact. energy: -0.004 local terms energy: -254.764963 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -45.259 flat angles C4'-P-C4' energy: -55.395 flat angles P-C4'-P energy: -38.063 tors. eta vs tors. theta energy: -57.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -539.354586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.354586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.354586 (E_RNA) where: Base-Base interactions energy: -310.193 where: short stacking energy: -144.462 Base-Backbone interact. energy: 2.212 local terms energy: -231.373324 where: bonds (distance) C4'-P energy: -52.290 bonds (distance) P-C4' energy: -56.774 flat angles C4'-P-C4' energy: -61.111 flat angles P-C4'-P energy: -42.793 tors. eta vs tors. theta energy: -18.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -479.817746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.817746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.817746 (E_RNA) where: Base-Base interactions energy: -278.842 where: short stacking energy: -144.950 Base-Backbone interact. energy: -1.089 local terms energy: -199.886727 where: bonds (distance) C4'-P energy: -49.467 bonds (distance) P-C4' energy: -56.371 flat angles C4'-P-C4' energy: -39.129 flat angles P-C4'-P energy: -30.517 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: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -281.625980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.625980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.625980 (E_RNA) where: Base-Base interactions energy: -105.893 where: short stacking energy: -71.310 Base-Backbone interact. energy: -1.048 local terms energy: -174.685078 where: bonds (distance) C4'-P energy: -46.458 bonds (distance) P-C4' energy: -59.619 flat angles C4'-P-C4' energy: -45.112 flat angles P-C4'-P energy: -32.032 tors. eta vs tors. theta energy: 8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -370.980707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.980707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.980707 (E_RNA) where: Base-Base interactions energy: -175.852 where: short stacking energy: -98.510 Base-Backbone interact. energy: 2.396 local terms energy: -197.525434 where: bonds (distance) C4'-P energy: -55.372 bonds (distance) P-C4' energy: -47.622 flat angles C4'-P-C4' energy: -55.743 flat angles P-C4'-P energy: -26.936 tors. eta vs tors. theta energy: -11.853 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: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1062.565089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.565089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.565089 (E_RNA) where: Base-Base interactions energy: -722.926 where: short stacking energy: -310.468 Base-Backbone interact. energy: -0.880 local terms energy: -338.759412 where: bonds (distance) C4'-P energy: -65.446 bonds (distance) P-C4' energy: -58.835 flat angles C4'-P-C4' energy: -71.942 flat angles P-C4'-P energy: -43.517 tors. eta vs tors. theta energy: -99.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1031.256020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.256020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.256020 (E_RNA) where: Base-Base interactions energy: -695.257 where: short stacking energy: -303.739 Base-Backbone interact. energy: 0.489 local terms energy: -336.487706 where: bonds (distance) C4'-P energy: -53.384 bonds (distance) P-C4' energy: -59.483 flat angles C4'-P-C4' energy: -77.084 flat angles P-C4'-P energy: -57.861 tors. eta vs tors. theta energy: -88.676 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: 3, replica: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1067.535806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.535806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.535806 (E_RNA) where: Base-Base interactions energy: -730.925 where: short stacking energy: -317.543 Base-Backbone interact. energy: -0.604 local terms energy: -336.006479 where: bonds (distance) C4'-P energy: -51.840 bonds (distance) P-C4' energy: -55.214 flat angles C4'-P-C4' energy: -72.052 flat angles P-C4'-P energy: -52.065 tors. eta vs tors. theta energy: -104.836 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: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -934.930266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.930266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.930266 (E_RNA) where: Base-Base interactions energy: -627.634 where: short stacking energy: -282.899 Base-Backbone interact. energy: 0.345 local terms energy: -307.640914 where: bonds (distance) C4'-P energy: -49.204 bonds (distance) P-C4' energy: -67.052 flat angles C4'-P-C4' energy: -63.990 flat angles P-C4'-P energy: -40.675 tors. eta vs tors. theta energy: -86.721 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: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -885.187674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.187674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.187674 (E_RNA) where: Base-Base interactions energy: -594.164 where: short stacking energy: -266.398 Base-Backbone interact. energy: 0.756 local terms energy: -291.779977 where: bonds (distance) C4'-P energy: -60.682 bonds (distance) P-C4' energy: -57.748 flat angles C4'-P-C4' energy: -69.889 flat angles P-C4'-P energy: -38.927 tors. eta vs tors. theta energy: -64.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -795.385576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.385576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.385576 (E_RNA) where: Base-Base interactions energy: -509.327 where: short stacking energy: -223.193 Base-Backbone interact. energy: -1.036 local terms energy: -285.023292 where: bonds (distance) C4'-P energy: -66.687 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -66.821 flat angles P-C4'-P energy: -39.007 tors. eta vs tors. theta energy: -51.607 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: 3 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -533.478648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.478648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.478648 (E_RNA) where: Base-Base interactions energy: -299.520 where: short stacking energy: -153.727 Base-Backbone interact. energy: -1.189 local terms energy: -232.769463 where: bonds (distance) C4'-P energy: -56.594 bonds (distance) P-C4' energy: -63.535 flat angles C4'-P-C4' energy: -51.923 flat angles P-C4'-P energy: -31.573 tors. eta vs tors. theta energy: -29.145 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: 6 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -480.806786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.806786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.806786 (E_RNA) where: Base-Base interactions energy: -263.872 where: short stacking energy: -128.624 Base-Backbone interact. energy: 0.299 local terms energy: -217.233611 where: bonds (distance) C4'-P energy: -56.635 bonds (distance) P-C4' energy: -50.625 flat angles C4'-P-C4' energy: -58.468 flat angles P-C4'-P energy: -36.655 tors. eta vs tors. theta energy: -14.850 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: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -276.720802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.720802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.720802 (E_RNA) where: Base-Base interactions energy: -119.062 where: short stacking energy: -77.932 Base-Backbone interact. energy: 1.730 local terms energy: -159.388076 where: bonds (distance) C4'-P energy: -56.445 bonds (distance) P-C4' energy: -43.123 flat angles C4'-P-C4' energy: -38.558 flat angles P-C4'-P energy: -16.274 tors. eta vs tors. theta energy: -4.989 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: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -383.760345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.760345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.760345 (E_RNA) where: Base-Base interactions energy: -193.638 where: short stacking energy: -93.006 Base-Backbone interact. energy: 0.580 local terms energy: -190.702654 where: bonds (distance) C4'-P energy: -50.823 bonds (distance) P-C4' energy: -60.677 flat angles C4'-P-C4' energy: -36.760 flat angles P-C4'-P energy: -34.869 tors. eta vs tors. theta energy: -7.574 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: 1, replica: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1085.159321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.159321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.159321 (E_RNA) where: Base-Base interactions energy: -738.930 where: short stacking energy: -330.151 Base-Backbone interact. energy: -2.141 local terms energy: -344.087913 where: bonds (distance) C4'-P energy: -66.130 bonds (distance) P-C4' energy: -65.903 flat angles C4'-P-C4' energy: -63.231 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -98.996 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: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1037.692509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.692509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.692509 (E_RNA) where: Base-Base interactions energy: -704.255 where: short stacking energy: -311.212 Base-Backbone interact. energy: -0.377 local terms energy: -333.060566 where: bonds (distance) C4'-P energy: -67.991 bonds (distance) P-C4' energy: -46.176 flat angles C4'-P-C4' energy: -77.003 flat angles P-C4'-P energy: -46.021 tors. eta vs tors. theta energy: -95.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1053.279666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.279666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.279666 (E_RNA) where: Base-Base interactions energy: -725.953 where: short stacking energy: -322.182 Base-Backbone interact. energy: 0.090 local terms energy: -327.416482 where: bonds (distance) C4'-P energy: -49.362 bonds (distance) P-C4' energy: -60.233 flat angles C4'-P-C4' energy: -68.800 flat angles P-C4'-P energy: -46.115 tors. eta vs tors. theta energy: -102.907 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: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -933.672310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.672310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.672310 (E_RNA) where: Base-Base interactions energy: -648.204 where: short stacking energy: -272.866 Base-Backbone interact. energy: -0.731 local terms energy: -284.736460 where: bonds (distance) C4'-P energy: -50.369 bonds (distance) P-C4' energy: -56.090 flat angles C4'-P-C4' energy: -62.473 flat angles P-C4'-P energy: -39.323 tors. eta vs tors. theta energy: -76.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -897.399346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.399346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.399346 (E_RNA) where: Base-Base interactions energy: -594.860 where: short stacking energy: -264.234 Base-Backbone interact. energy: -1.260 local terms energy: -301.278817 where: bonds (distance) C4'-P energy: -56.591 bonds (distance) P-C4' energy: -66.866 flat angles C4'-P-C4' energy: -63.976 flat angles P-C4'-P energy: -35.221 tors. eta vs tors. theta energy: -78.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -848.113153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.113153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.113153 (E_RNA) where: Base-Base interactions energy: -545.786 where: short stacking energy: -238.601 Base-Backbone interact. energy: -1.299 local terms energy: -301.027457 where: bonds (distance) C4'-P energy: -67.317 bonds (distance) P-C4' energy: -46.469 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -76.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -547.250440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.250440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.250440 (E_RNA) where: Base-Base interactions energy: -309.752 where: short stacking energy: -153.089 Base-Backbone interact. energy: -1.341 local terms energy: -236.156964 where: bonds (distance) C4'-P energy: -51.232 bonds (distance) P-C4' energy: -59.678 flat angles C4'-P-C4' energy: -61.763 flat angles P-C4'-P energy: -34.083 tors. eta vs tors. theta energy: -29.401 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: 8, replica: 6 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -487.011289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.011289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.011289 (E_RNA) where: Base-Base interactions energy: -274.619 where: short stacking energy: -130.399 Base-Backbone interact. energy: 1.349 local terms energy: -213.741680 where: bonds (distance) C4'-P energy: -50.690 bonds (distance) P-C4' energy: -55.392 flat angles C4'-P-C4' energy: -48.623 flat angles P-C4'-P energy: -37.608 tors. eta vs tors. theta energy: -21.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -362.329188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.329188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.329188 (E_RNA) where: Base-Base interactions energy: -171.325 where: short stacking energy: -100.898 Base-Backbone interact. energy: -0.673 local terms energy: -190.331885 where: bonds (distance) C4'-P energy: -52.093 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -48.188 flat angles P-C4'-P energy: -34.987 tors. eta vs tors. theta energy: 4.891 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: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -287.924600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.924600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.924600 (E_RNA) where: Base-Base interactions energy: -120.912 where: short stacking energy: -76.819 Base-Backbone interact. energy: -1.441 local terms energy: -165.572271 where: bonds (distance) C4'-P energy: -51.942 bonds (distance) P-C4' energy: -59.551 flat angles C4'-P-C4' energy: -51.531 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: 8.389 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: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1100.817071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.817071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.817071 (E_RNA) where: Base-Base interactions energy: -741.700 where: short stacking energy: -330.513 Base-Backbone interact. energy: -1.703 local terms energy: -357.413322 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -55.333 flat angles C4'-P-C4' energy: -83.638 flat angles P-C4'-P energy: -52.180 tors. eta vs tors. theta energy: -102.612 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: 2, replica: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1086.643109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.643109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.643109 (E_RNA) where: Base-Base interactions energy: -743.697 where: short stacking energy: -326.787 Base-Backbone interact. energy: -1.121 local terms energy: -341.825139 where: bonds (distance) C4'-P energy: -54.073 bonds (distance) P-C4' energy: -69.159 flat angles C4'-P-C4' energy: -71.596 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: -107.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1007.372758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.372758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.372758 (E_RNA) where: Base-Base interactions energy: -670.750 where: short stacking energy: -291.002 Base-Backbone interact. energy: -0.867 local terms energy: -335.755870 where: bonds (distance) C4'-P energy: -60.230 bonds (distance) P-C4' energy: -60.563 flat angles C4'-P-C4' energy: -65.945 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: -99.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -937.245531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.245531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.245531 (E_RNA) where: Base-Base interactions energy: -640.589 where: short stacking energy: -269.594 Base-Backbone interact. energy: 0.862 local terms energy: -297.518168 where: bonds (distance) C4'-P energy: -55.774 bonds (distance) P-C4' energy: -54.573 flat angles C4'-P-C4' energy: -58.386 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -83.287 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: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -903.477307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.477307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.477307 (E_RNA) where: Base-Base interactions energy: -608.440 where: short stacking energy: -260.039 Base-Backbone interact. energy: -0.777 local terms energy: -294.261128 where: bonds (distance) C4'-P energy: -62.502 bonds (distance) P-C4' energy: -49.740 flat angles C4'-P-C4' energy: -63.999 flat angles P-C4'-P energy: -34.845 tors. eta vs tors. theta energy: -83.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -818.890292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.890292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.890292 (E_RNA) where: Base-Base interactions energy: -548.503 where: short stacking energy: -225.760 Base-Backbone interact. energy: -1.920 local terms energy: -268.467952 where: bonds (distance) C4'-P energy: -57.240 bonds (distance) P-C4' energy: -58.281 flat angles C4'-P-C4' energy: -55.250 flat angles P-C4'-P energy: -28.577 tors. eta vs tors. theta energy: -69.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -551.304059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.304059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.304059 (E_RNA) where: Base-Base interactions energy: -310.843 where: short stacking energy: -159.420 Base-Backbone interact. energy: -0.823 local terms energy: -239.638007 where: bonds (distance) C4'-P energy: -48.644 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -67.316 flat angles P-C4'-P energy: -33.501 tors. eta vs tors. theta energy: -26.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -516.666268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.666268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.666268 (E_RNA) where: Base-Base interactions energy: -314.225 where: short stacking energy: -167.167 Base-Backbone interact. energy: -1.660 local terms energy: -200.781396 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -39.099 flat angles P-C4'-P energy: -28.472 tors. eta vs tors. theta energy: -23.357 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: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -355.633636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.633636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.633636 (E_RNA) where: Base-Base interactions energy: -162.937 where: short stacking energy: -91.495 Base-Backbone interact. energy: 2.695 local terms energy: -195.390828 where: bonds (distance) C4'-P energy: -46.943 bonds (distance) P-C4' energy: -68.035 flat angles C4'-P-C4' energy: -44.104 flat angles P-C4'-P energy: -35.207 tors. eta vs tors. theta energy: -1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -297.775875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.775875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.775875 (E_RNA) where: Base-Base interactions energy: -138.956 where: short stacking energy: -85.708 Base-Backbone interact. energy: 0.148 local terms energy: -158.967992 where: bonds (distance) C4'-P energy: -39.347 bonds (distance) P-C4' energy: -51.759 flat angles C4'-P-C4' energy: -43.061 flat angles P-C4'-P energy: -24.535 tors. eta vs tors. theta energy: -0.265 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: 1, replica: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1107.262560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.262560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.262560 (E_RNA) where: Base-Base interactions energy: -755.226 where: short stacking energy: -329.695 Base-Backbone interact. energy: -1.265 local terms energy: -350.770721 where: bonds (distance) C4'-P energy: -64.371 bonds (distance) P-C4' energy: -65.938 flat angles C4'-P-C4' energy: -69.247 flat angles P-C4'-P energy: -48.968 tors. eta vs tors. theta energy: -102.245 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: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1071.227302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.227302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.227302 (E_RNA) where: Base-Base interactions energy: -724.064 where: short stacking energy: -312.065 Base-Backbone interact. energy: -1.248 local terms energy: -345.915609 where: bonds (distance) C4'-P energy: -65.281 bonds (distance) P-C4' energy: -62.133 flat angles C4'-P-C4' energy: -72.458 flat angles P-C4'-P energy: -45.100 tors. eta vs tors. theta energy: -100.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1006.476650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.476650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.476650 (E_RNA) where: Base-Base interactions energy: -677.171 where: short stacking energy: -298.991 Base-Backbone interact. energy: 1.397 local terms energy: -330.701759 where: bonds (distance) C4'-P energy: -48.623 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -72.693 flat angles P-C4'-P energy: -45.432 tors. eta vs tors. theta energy: -97.245 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: 1 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -947.993133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.993133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.993133 (E_RNA) where: Base-Base interactions energy: -616.555 where: short stacking energy: -263.250 Base-Backbone interact. energy: -1.618 local terms energy: -329.820914 where: bonds (distance) C4'-P energy: -62.492 bonds (distance) P-C4' energy: -68.238 flat angles C4'-P-C4' energy: -69.452 flat angles P-C4'-P energy: -46.174 tors. eta vs tors. theta energy: -83.465 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: 10 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -884.168984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.168984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.168984 (E_RNA) where: Base-Base interactions energy: -590.300 where: short stacking energy: -263.549 Base-Backbone interact. energy: 0.142 local terms energy: -294.010897 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -60.518 flat angles C4'-P-C4' energy: -62.577 flat angles P-C4'-P energy: -36.119 tors. eta vs tors. theta energy: -78.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -848.105705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.105705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.105705 (E_RNA) where: Base-Base interactions energy: -553.932 where: short stacking energy: -252.948 Base-Backbone interact. energy: -0.085 local terms energy: -294.088817 where: bonds (distance) C4'-P energy: -66.952 bonds (distance) P-C4' energy: -54.135 flat angles C4'-P-C4' energy: -60.014 flat angles P-C4'-P energy: -43.662 tors. eta vs tors. theta energy: -69.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -541.948349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.948349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.948349 (E_RNA) where: Base-Base interactions energy: -292.054 where: short stacking energy: -154.401 Base-Backbone interact. energy: -0.394 local terms energy: -249.500815 where: bonds (distance) C4'-P energy: -59.368 bonds (distance) P-C4' energy: -51.150 flat angles C4'-P-C4' energy: -63.503 flat angles P-C4'-P energy: -45.552 tors. eta vs tors. theta energy: -29.928 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: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -526.467606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.467606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.467606 (E_RNA) where: Base-Base interactions energy: -284.302 where: short stacking energy: -132.378 Base-Backbone interact. energy: -1.825 local terms energy: -240.341337 where: bonds (distance) C4'-P energy: -55.172 bonds (distance) P-C4' energy: -64.108 flat angles C4'-P-C4' energy: -63.104 flat angles P-C4'-P energy: -40.345 tors. eta vs tors. theta energy: -17.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -428.066254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.066254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.066254 (E_RNA) where: Base-Base interactions energy: -228.693 where: short stacking energy: -113.242 Base-Backbone interact. energy: -0.015 local terms energy: -199.357796 where: bonds (distance) C4'-P energy: -49.961 bonds (distance) P-C4' energy: -60.846 flat angles C4'-P-C4' energy: -44.362 flat angles P-C4'-P energy: -32.038 tors. eta vs tors. theta energy: -12.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -244.816403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.816403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.816403 (E_RNA) where: Base-Base interactions energy: -76.028 where: short stacking energy: -57.209 Base-Backbone interact. energy: -0.666 local terms energy: -168.122914 where: bonds (distance) C4'-P energy: -62.544 bonds (distance) P-C4' energy: -59.695 flat angles C4'-P-C4' energy: -39.929 flat angles P-C4'-P energy: -18.888 tors. eta vs tors. theta energy: 12.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1106.971863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.971863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.971863 (E_RNA) where: Base-Base interactions energy: -765.842 where: short stacking energy: -339.104 Base-Backbone interact. energy: -1.420 local terms energy: -339.709549 where: bonds (distance) C4'-P energy: -57.193 bonds (distance) P-C4' energy: -55.228 flat angles C4'-P-C4' energy: -73.693 flat angles P-C4'-P energy: -46.787 tors. eta vs tors. theta energy: -106.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1062.143506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.143506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.143506 (E_RNA) where: Base-Base interactions energy: -732.957 where: short stacking energy: -323.602 Base-Backbone interact. energy: -0.488 local terms energy: -328.698725 where: bonds (distance) C4'-P energy: -64.867 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -70.466 flat angles P-C4'-P energy: -41.661 tors. eta vs tors. theta energy: -92.625 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: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -996.678759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.678759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.678759 (E_RNA) where: Base-Base interactions energy: -671.127 where: short stacking energy: -281.097 Base-Backbone interact. energy: -1.443 local terms energy: -324.108516 where: bonds (distance) C4'-P energy: -58.528 bonds (distance) P-C4' energy: -65.126 flat angles C4'-P-C4' energy: -70.349 flat angles P-C4'-P energy: -40.648 tors. eta vs tors. theta energy: -89.458 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: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -935.103308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.103308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.103308 (E_RNA) where: Base-Base interactions energy: -659.163 where: short stacking energy: -260.825 Base-Backbone interact. energy: -0.689 local terms energy: -275.251686 where: bonds (distance) C4'-P energy: -52.625 bonds (distance) P-C4' energy: -51.918 flat angles C4'-P-C4' energy: -57.937 flat angles P-C4'-P energy: -38.411 tors. eta vs tors. theta energy: -74.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -875.903053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.903053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.903053 (E_RNA) where: Base-Base interactions energy: -588.258 where: short stacking energy: -257.105 Base-Backbone interact. energy: -0.261 local terms energy: -287.384532 where: bonds (distance) C4'-P energy: -61.006 bonds (distance) P-C4' energy: -48.078 flat angles C4'-P-C4' energy: -63.614 flat angles P-C4'-P energy: -31.583 tors. eta vs tors. theta energy: -83.104 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: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -845.851103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.851103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.851103 (E_RNA) where: Base-Base interactions energy: -559.850 where: short stacking energy: -241.967 Base-Backbone interact. energy: -0.136 local terms energy: -285.864711 where: bonds (distance) C4'-P energy: -54.387 bonds (distance) P-C4' energy: -59.179 flat angles C4'-P-C4' energy: -55.723 flat angles P-C4'-P energy: -43.623 tors. eta vs tors. theta energy: -72.952 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: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -559.019574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.019574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.019574 (E_RNA) where: Base-Base interactions energy: -344.488 where: short stacking energy: -145.939 Base-Backbone interact. energy: -2.746 local terms energy: -211.786286 where: bonds (distance) C4'-P energy: -53.059 bonds (distance) P-C4' energy: -50.391 flat angles C4'-P-C4' energy: -60.348 flat angles P-C4'-P energy: -35.046 tors. eta vs tors. theta energy: -12.942 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: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -524.057207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.057207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.057207 (E_RNA) where: Base-Base interactions energy: -278.932 where: short stacking energy: -134.871 Base-Backbone interact. energy: -1.233 local terms energy: -243.892310 where: bonds (distance) C4'-P energy: -55.310 bonds (distance) P-C4' energy: -64.703 flat angles C4'-P-C4' energy: -48.635 flat angles P-C4'-P energy: -46.875 tors. eta vs tors. theta energy: -28.369 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: 9, replica: 4 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -458.871591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.871591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.871591 (E_RNA) where: Base-Base interactions energy: -235.911 where: short stacking energy: -141.380 Base-Backbone interact. energy: -0.389 local terms energy: -222.571317 where: bonds (distance) C4'-P energy: -56.540 bonds (distance) P-C4' energy: -61.334 flat angles C4'-P-C4' energy: -53.957 flat angles P-C4'-P energy: -33.071 tors. eta vs tors. theta energy: -17.669 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: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -259.304263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.304263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.304263 (E_RNA) where: Base-Base interactions energy: -97.271 where: short stacking energy: -52.925 Base-Backbone interact. energy: -0.968 local terms energy: -161.065905 where: bonds (distance) C4'-P energy: -54.464 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -46.356 flat angles P-C4'-P energy: -25.534 tors. eta vs tors. theta energy: 24.332 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: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1111.189827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.189827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.189827 (E_RNA) where: Base-Base interactions energy: -752.404 where: short stacking energy: -324.954 Base-Backbone interact. energy: -1.604 local terms energy: -357.181869 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -66.309 flat angles C4'-P-C4' energy: -78.538 flat angles P-C4'-P energy: -50.397 tors. eta vs tors. theta energy: -103.099 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: 2, replica: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1071.854823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.854823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.854823 (E_RNA) where: Base-Base interactions energy: -728.058 where: short stacking energy: -309.271 Base-Backbone interact. energy: -0.975 local terms energy: -342.821797 where: bonds (distance) C4'-P energy: -56.050 bonds (distance) P-C4' energy: -67.119 flat angles C4'-P-C4' energy: -75.909 flat angles P-C4'-P energy: -43.781 tors. eta vs tors. theta energy: -99.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1008.028937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.028937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.028937 (E_RNA) where: Base-Base interactions energy: -701.676 where: short stacking energy: -304.048 Base-Backbone interact. energy: -1.033 local terms energy: -305.319798 where: bonds (distance) C4'-P energy: -55.016 bonds (distance) P-C4' energy: -54.593 flat angles C4'-P-C4' energy: -63.985 flat angles P-C4'-P energy: -37.899 tors. eta vs tors. theta energy: -93.826 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: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -907.564376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.564376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.564376 (E_RNA) where: Base-Base interactions energy: -609.576 where: short stacking energy: -225.684 Base-Backbone interact. energy: 0.564 local terms energy: -298.552122 where: bonds (distance) C4'-P energy: -59.274 bonds (distance) P-C4' energy: -62.062 flat angles C4'-P-C4' energy: -67.892 flat angles P-C4'-P energy: -44.817 tors. eta vs tors. theta energy: -64.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -882.676578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.676578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.676578 (E_RNA) where: Base-Base interactions energy: -576.813 where: short stacking energy: -250.493 Base-Backbone interact. energy: -1.384 local terms energy: -304.479470 where: bonds (distance) C4'-P energy: -63.255 bonds (distance) P-C4' energy: -53.445 flat angles C4'-P-C4' energy: -63.393 flat angles P-C4'-P energy: -46.962 tors. eta vs tors. theta energy: -77.425 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: 10 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -889.451573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.451573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.451573 (E_RNA) where: Base-Base interactions energy: -594.874 where: short stacking energy: -260.501 Base-Backbone interact. energy: -0.349 local terms energy: -294.229025 where: bonds (distance) C4'-P energy: -61.175 bonds (distance) P-C4' energy: -58.913 flat angles C4'-P-C4' energy: -45.511 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: -86.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -534.344089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.344089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.344089 (E_RNA) where: Base-Base interactions energy: -305.155 where: short stacking energy: -162.037 Base-Backbone interact. energy: -0.791 local terms energy: -228.397566 where: bonds (distance) C4'-P energy: -60.850 bonds (distance) P-C4' energy: -65.862 flat angles C4'-P-C4' energy: -62.868 flat angles P-C4'-P energy: -20.304 tors. eta vs tors. theta energy: -18.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -482.052347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.052347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.052347 (E_RNA) where: Base-Base interactions energy: -255.832 where: short stacking energy: -120.643 Base-Backbone interact. energy: -1.620 local terms energy: -224.600739 where: bonds (distance) C4'-P energy: -61.027 bonds (distance) P-C4' energy: -60.575 flat angles C4'-P-C4' energy: -49.450 flat angles P-C4'-P energy: -34.396 tors. eta vs tors. theta energy: -19.152 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: 9, replica: 4 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -451.822218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.822218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.822218 (E_RNA) where: Base-Base interactions energy: -272.957 where: short stacking energy: -133.800 Base-Backbone interact. energy: 0.933 local terms energy: -179.798851 where: bonds (distance) C4'-P energy: -57.236 bonds (distance) P-C4' energy: -54.020 flat angles C4'-P-C4' energy: -44.481 flat angles P-C4'-P energy: -21.738 tors. eta vs tors. theta energy: -2.323 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: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -246.544035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.544035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.544035 (E_RNA) where: Base-Base interactions energy: -75.434 where: short stacking energy: -66.897 Base-Backbone interact. energy: 1.424 local terms energy: -172.534201 where: bonds (distance) C4'-P energy: -58.794 bonds (distance) P-C4' energy: -59.317 flat angles C4'-P-C4' energy: -40.899 flat angles P-C4'-P energy: -26.533 tors. eta vs tors. theta energy: 13.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1120.064036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.064036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.064036 (E_RNA) where: Base-Base interactions energy: -746.235 where: short stacking energy: -331.960 Base-Backbone interact. energy: -0.597 local terms energy: -373.232307 where: bonds (distance) C4'-P energy: -63.394 bonds (distance) P-C4' energy: -63.227 flat angles C4'-P-C4' energy: -81.812 flat angles P-C4'-P energy: -51.299 tors. eta vs tors. theta energy: -113.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1058.623060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.623060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.623060 (E_RNA) where: Base-Base interactions energy: -726.112 where: short stacking energy: -320.174 Base-Backbone interact. energy: -1.844 local terms energy: -330.667731 where: bonds (distance) C4'-P energy: -56.121 bonds (distance) P-C4' energy: -56.780 flat angles C4'-P-C4' energy: -66.433 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: -100.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1012.921155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.921155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.921155 (E_RNA) where: Base-Base interactions energy: -671.406 where: short stacking energy: -291.925 Base-Backbone interact. energy: -0.896 local terms energy: -340.619056 where: bonds (distance) C4'-P energy: -68.735 bonds (distance) P-C4' energy: -68.913 flat angles C4'-P-C4' energy: -71.029 flat angles P-C4'-P energy: -43.548 tors. eta vs tors. theta energy: -88.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -890.019756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.019756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.019756 (E_RNA) where: Base-Base interactions energy: -580.729 where: short stacking energy: -247.467 Base-Backbone interact. energy: -1.808 local terms energy: -307.482639 where: bonds (distance) C4'-P energy: -64.825 bonds (distance) P-C4' energy: -61.486 flat angles C4'-P-C4' energy: -67.856 flat angles P-C4'-P energy: -43.315 tors. eta vs tors. theta energy: -70.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -884.626372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.626372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.626372 (E_RNA) where: Base-Base interactions energy: -589.325 where: short stacking energy: -244.977 Base-Backbone interact. energy: -1.868 local terms energy: -293.432913 where: bonds (distance) C4'-P energy: -51.228 bonds (distance) P-C4' energy: -63.396 flat angles C4'-P-C4' energy: -71.999 flat angles P-C4'-P energy: -38.458 tors. eta vs tors. theta energy: -68.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -842.297347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.297347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.297347 (E_RNA) where: Base-Base interactions energy: -544.118 where: short stacking energy: -241.611 Base-Backbone interact. energy: -0.789 local terms energy: -297.389724 where: bonds (distance) C4'-P energy: -50.053 bonds (distance) P-C4' energy: -56.745 flat angles C4'-P-C4' energy: -60.133 flat angles P-C4'-P energy: -47.060 tors. eta vs tors. theta energy: -83.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -573.000126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.000126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.000126 (E_RNA) where: Base-Base interactions energy: -315.845 where: short stacking energy: -164.006 Base-Backbone interact. energy: -2.061 local terms energy: -255.094254 where: bonds (distance) C4'-P energy: -60.206 bonds (distance) P-C4' energy: -64.325 flat angles C4'-P-C4' energy: -63.135 flat angles P-C4'-P energy: -32.174 tors. eta vs tors. theta energy: -35.255 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: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -474.669946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.669946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.669946 (E_RNA) where: Base-Base interactions energy: -255.774 where: short stacking energy: -143.926 Base-Backbone interact. energy: -0.547 local terms energy: -218.349038 where: bonds (distance) C4'-P energy: -47.574 bonds (distance) P-C4' energy: -58.667 flat angles C4'-P-C4' energy: -51.512 flat angles P-C4'-P energy: -33.027 tors. eta vs tors. theta energy: -27.569 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: 4 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -449.877520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.877520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.877520 (E_RNA) where: Base-Base interactions energy: -248.063 where: short stacking energy: -122.095 Base-Backbone interact. energy: 0.098 local terms energy: -201.912553 where: bonds (distance) C4'-P energy: -50.136 bonds (distance) P-C4' energy: -47.312 flat angles C4'-P-C4' energy: -48.670 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: -22.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -254.904651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.904651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.904651 (E_RNA) where: Base-Base interactions energy: -97.675 where: short stacking energy: -67.534 Base-Backbone interact. energy: -0.808 local terms energy: -156.421926 where: bonds (distance) C4'-P energy: -46.466 bonds (distance) P-C4' energy: -48.097 flat angles C4'-P-C4' energy: -58.736 flat angles P-C4'-P energy: -15.245 tors. eta vs tors. theta energy: 12.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1087.013748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.013748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.013748 (E_RNA) where: Base-Base interactions energy: -739.100 where: short stacking energy: -313.659 Base-Backbone interact. energy: -1.267 local terms energy: -346.647559 where: bonds (distance) C4'-P energy: -50.104 bonds (distance) P-C4' energy: -71.745 flat angles C4'-P-C4' energy: -72.874 flat angles P-C4'-P energy: -49.518 tors. eta vs tors. theta energy: -102.407 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: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1053.660900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.660900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.660900 (E_RNA) where: Base-Base interactions energy: -704.476 where: short stacking energy: -302.747 Base-Backbone interact. energy: -0.114 local terms energy: -349.071577 where: bonds (distance) C4'-P energy: -56.416 bonds (distance) P-C4' energy: -71.618 flat angles C4'-P-C4' energy: -74.700 flat angles P-C4'-P energy: -47.648 tors. eta vs tors. theta energy: -98.689 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: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1001.614443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.614443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.614443 (E_RNA) where: Base-Base interactions energy: -675.892 where: short stacking energy: -293.484 Base-Backbone interact. energy: -0.376 local terms energy: -325.346155 where: bonds (distance) C4'-P energy: -58.496 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -71.187 flat angles P-C4'-P energy: -40.867 tors. eta vs tors. theta energy: -89.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -903.581855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.581855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.581855 (E_RNA) where: Base-Base interactions energy: -594.015 where: short stacking energy: -256.278 Base-Backbone interact. energy: 0.662 local terms energy: -310.228376 where: bonds (distance) C4'-P energy: -48.503 bonds (distance) P-C4' energy: -63.901 flat angles C4'-P-C4' energy: -74.852 flat angles P-C4'-P energy: -48.662 tors. eta vs tors. theta energy: -74.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -889.598127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.598127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.598127 (E_RNA) where: Base-Base interactions energy: -581.938 where: short stacking energy: -254.320 Base-Backbone interact. energy: -0.731 local terms energy: -306.928850 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -63.867 flat angles C4'-P-C4' energy: -61.622 flat angles P-C4'-P energy: -41.867 tors. eta vs tors. theta energy: -80.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -835.370798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.370798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.370798 (E_RNA) where: Base-Base interactions energy: -566.805 where: short stacking energy: -240.783 Base-Backbone interact. energy: 0.792 local terms energy: -269.358037 where: bonds (distance) C4'-P energy: -57.390 bonds (distance) P-C4' energy: -55.940 flat angles C4'-P-C4' energy: -58.357 flat angles P-C4'-P energy: -30.641 tors. eta vs tors. theta energy: -67.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -497.204637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.204637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.204637 (E_RNA) where: Base-Base interactions energy: -275.338 where: short stacking energy: -147.263 Base-Backbone interact. energy: -0.535 local terms energy: -221.331299 where: bonds (distance) C4'-P energy: -57.050 bonds (distance) P-C4' energy: -59.566 flat angles C4'-P-C4' energy: -55.892 flat angles P-C4'-P energy: -26.591 tors. eta vs tors. theta energy: -22.232 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: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -523.692505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.692505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.692505 (E_RNA) where: Base-Base interactions energy: -304.588 where: short stacking energy: -141.216 Base-Backbone interact. energy: 0.711 local terms energy: -219.815390 where: bonds (distance) C4'-P energy: -61.299 bonds (distance) P-C4' energy: -52.793 flat angles C4'-P-C4' energy: -48.720 flat angles P-C4'-P energy: -25.445 tors. eta vs tors. theta energy: -31.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -460.574040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.574040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.574040 (E_RNA) where: Base-Base interactions energy: -248.612 where: short stacking energy: -121.526 Base-Backbone interact. energy: -2.427 local terms energy: -209.535206 where: bonds (distance) C4'-P energy: -42.291 bonds (distance) P-C4' energy: -61.100 flat angles C4'-P-C4' energy: -55.379 flat angles P-C4'-P energy: -31.881 tors. eta vs tors. theta energy: -18.884 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: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -268.048198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.048198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.048198 (E_RNA) where: Base-Base interactions energy: -94.942 where: short stacking energy: -85.432 Base-Backbone interact. energy: -1.264 local terms energy: -171.842294 where: bonds (distance) C4'-P energy: -47.033 bonds (distance) P-C4' energy: -58.575 flat angles C4'-P-C4' energy: -50.618 flat angles P-C4'-P energy: -22.475 tors. eta vs tors. theta energy: 6.858 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: 7 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1102.500607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.500607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.500607 (E_RNA) where: Base-Base interactions energy: -747.182 where: short stacking energy: -318.491 Base-Backbone interact. energy: 0.330 local terms energy: -355.648652 where: bonds (distance) C4'-P energy: -69.202 bonds (distance) P-C4' energy: -56.352 flat angles C4'-P-C4' energy: -74.293 flat angles P-C4'-P energy: -51.965 tors. eta vs tors. theta energy: -103.837 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: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1055.887365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.887365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.887365 (E_RNA) where: Base-Base interactions energy: -705.794 where: short stacking energy: -311.664 Base-Backbone interact. energy: -1.975 local terms energy: -348.118280 where: bonds (distance) C4'-P energy: -65.508 bonds (distance) P-C4' energy: -58.707 flat angles C4'-P-C4' energy: -74.503 flat angles P-C4'-P energy: -47.486 tors. eta vs tors. theta energy: -101.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -989.275268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.275268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.275268 (E_RNA) where: Base-Base interactions energy: -661.079 where: short stacking energy: -295.241 Base-Backbone interact. energy: -2.827 local terms energy: -325.369426 where: bonds (distance) C4'-P energy: -52.900 bonds (distance) P-C4' energy: -69.083 flat angles C4'-P-C4' energy: -67.188 flat angles P-C4'-P energy: -45.542 tors. eta vs tors. theta energy: -90.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -964.314571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.314571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.314571 (E_RNA) where: Base-Base interactions energy: -650.998 where: short stacking energy: -284.621 Base-Backbone interact. energy: -0.562 local terms energy: -312.754398 where: bonds (distance) C4'-P energy: -55.249 bonds (distance) P-C4' energy: -57.411 flat angles C4'-P-C4' energy: -70.197 flat angles P-C4'-P energy: -44.680 tors. eta vs tors. theta energy: -85.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -891.739923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.739923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.739923 (E_RNA) where: Base-Base interactions energy: -623.133 where: short stacking energy: -263.176 Base-Backbone interact. energy: -1.619 local terms energy: -266.987968 where: bonds (distance) C4'-P energy: -43.996 bonds (distance) P-C4' energy: -44.302 flat angles C4'-P-C4' energy: -62.452 flat angles P-C4'-P energy: -37.971 tors. eta vs tors. theta energy: -78.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -880.396106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.396106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.396106 (E_RNA) where: Base-Base interactions energy: -589.218 where: short stacking energy: -267.654 Base-Backbone interact. energy: -1.636 local terms energy: -289.542157 where: bonds (distance) C4'-P energy: -48.229 bonds (distance) P-C4' energy: -60.087 flat angles C4'-P-C4' energy: -65.228 flat angles P-C4'-P energy: -40.165 tors. eta vs tors. theta energy: -75.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -492.537865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.537865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.537865 (E_RNA) where: Base-Base interactions energy: -280.370 where: short stacking energy: -142.541 Base-Backbone interact. energy: -0.868 local terms energy: -211.300740 where: bonds (distance) C4'-P energy: -46.024 bonds (distance) P-C4' energy: -60.978 flat angles C4'-P-C4' energy: -49.302 flat angles P-C4'-P energy: -36.347 tors. eta vs tors. theta energy: -18.650 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: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -512.885303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.885303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.885303 (E_RNA) where: Base-Base interactions energy: -304.565 where: short stacking energy: -159.691 Base-Backbone interact. energy: 0.623 local terms energy: -208.942755 where: bonds (distance) C4'-P energy: -60.063 bonds (distance) P-C4' energy: -48.251 flat angles C4'-P-C4' energy: -34.680 flat angles P-C4'-P energy: -37.517 tors. eta vs tors. theta energy: -28.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -442.436736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.436736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.436736 (E_RNA) where: Base-Base interactions energy: -268.874 where: short stacking energy: -123.473 Base-Backbone interact. energy: 5.454 local terms energy: -179.017334 where: bonds (distance) C4'-P energy: -50.499 bonds (distance) P-C4' energy: -49.477 flat angles C4'-P-C4' energy: -40.443 flat angles P-C4'-P energy: -25.277 tors. eta vs tors. theta energy: -13.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -258.623464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.623464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.623464 (E_RNA) where: Base-Base interactions energy: -85.937 where: short stacking energy: -55.942 Base-Backbone interact. energy: -2.882 local terms energy: -169.804733 where: bonds (distance) C4'-P energy: -59.966 bonds (distance) P-C4' energy: -48.790 flat angles C4'-P-C4' energy: -51.585 flat angles P-C4'-P energy: -19.309 tors. eta vs tors. theta energy: 9.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1089.218903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.218903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.218903 (E_RNA) where: Base-Base interactions energy: -758.812 where: short stacking energy: -337.036 Base-Backbone interact. energy: -0.553 local terms energy: -329.853562 where: bonds (distance) C4'-P energy: -49.671 bonds (distance) P-C4' energy: -67.316 flat angles C4'-P-C4' energy: -70.885 flat angles P-C4'-P energy: -35.879 tors. eta vs tors. theta energy: -106.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1071.676434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.676434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.676434 (E_RNA) where: Base-Base interactions energy: -736.571 where: short stacking energy: -311.751 Base-Backbone interact. energy: -0.893 local terms energy: -334.211957 where: bonds (distance) C4'-P energy: -65.206 bonds (distance) P-C4' energy: -63.184 flat angles C4'-P-C4' energy: -71.214 flat angles P-C4'-P energy: -42.160 tors. eta vs tors. theta energy: -92.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1023.384836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.384836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.384836 (E_RNA) where: Base-Base interactions energy: -700.924 where: short stacking energy: -302.241 Base-Backbone interact. energy: 0.244 local terms energy: -322.704528 where: bonds (distance) C4'-P energy: -67.728 bonds (distance) P-C4' energy: -62.739 flat angles C4'-P-C4' energy: -63.616 flat angles P-C4'-P energy: -41.672 tors. eta vs tors. theta energy: -86.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -946.347880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.347880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.347880 (E_RNA) where: Base-Base interactions energy: -626.598 where: short stacking energy: -265.548 Base-Backbone interact. energy: -1.857 local terms energy: -317.892529 where: bonds (distance) C4'-P energy: -58.938 bonds (distance) P-C4' energy: -64.536 flat angles C4'-P-C4' energy: -64.651 flat angles P-C4'-P energy: -42.598 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: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -891.636688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.636688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.636688 (E_RNA) where: Base-Base interactions energy: -605.561 where: short stacking energy: -265.331 Base-Backbone interact. energy: -1.239 local terms energy: -284.837323 where: bonds (distance) C4'-P energy: -49.115 bonds (distance) P-C4' energy: -46.505 flat angles C4'-P-C4' energy: -58.142 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: -79.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -855.652333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.652333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.652333 (E_RNA) where: Base-Base interactions energy: -571.013 where: short stacking energy: -237.325 Base-Backbone interact. energy: -0.291 local terms energy: -284.347830 where: bonds (distance) C4'-P energy: -56.503 bonds (distance) P-C4' energy: -56.833 flat angles C4'-P-C4' energy: -53.621 flat angles P-C4'-P energy: -43.385 tors. eta vs tors. theta energy: -74.006 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: 3 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -557.857246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.857246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.857246 (E_RNA) where: Base-Base interactions energy: -340.653 where: short stacking energy: -152.389 Base-Backbone interact. energy: 3.041 local terms energy: -220.245889 where: bonds (distance) C4'-P energy: -48.389 bonds (distance) P-C4' energy: -51.996 flat angles C4'-P-C4' energy: -43.993 flat angles P-C4'-P energy: -40.915 tors. eta vs tors. theta energy: -34.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -500.625781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.625781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.625781 (E_RNA) where: Base-Base interactions energy: -284.241 where: short stacking energy: -151.430 Base-Backbone interact. energy: -0.169 local terms energy: -216.215863 where: bonds (distance) C4'-P energy: -40.725 bonds (distance) P-C4' energy: -65.581 flat angles C4'-P-C4' energy: -47.520 flat angles P-C4'-P energy: -39.634 tors. eta vs tors. theta energy: -22.757 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: 410 Temperature: 1.300000 Total energy: -453.270677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.270677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.270677 (E_RNA) where: Base-Base interactions energy: -240.890 where: short stacking energy: -122.524 Base-Backbone interact. energy: 0.449 local terms energy: -212.829153 where: bonds (distance) C4'-P energy: -61.802 bonds (distance) P-C4' energy: -49.491 flat angles C4'-P-C4' energy: -59.644 flat angles P-C4'-P energy: -21.537 tors. eta vs tors. theta energy: -20.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -265.272957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.272957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.272957 (E_RNA) where: Base-Base interactions energy: -89.548 where: short stacking energy: -69.166 Base-Backbone interact. energy: -0.459 local terms energy: -175.265445 where: bonds (distance) C4'-P energy: -38.966 bonds (distance) P-C4' energy: -60.567 flat angles C4'-P-C4' energy: -53.331 flat angles P-C4'-P energy: -22.857 tors. eta vs tors. theta energy: 0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1102.097974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.097974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.097974 (E_RNA) where: Base-Base interactions energy: -744.552 where: short stacking energy: -332.500 Base-Backbone interact. energy: -1.486 local terms energy: -356.059533 where: bonds (distance) C4'-P energy: -68.483 bonds (distance) P-C4' energy: -63.713 flat angles C4'-P-C4' energy: -71.159 flat angles P-C4'-P energy: -45.804 tors. eta vs tors. theta energy: -106.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1077.671094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.671094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.671094 (E_RNA) where: Base-Base interactions energy: -735.718 where: short stacking energy: -304.084 Base-Backbone interact. energy: 6.091 local terms energy: -348.044436 where: bonds (distance) C4'-P energy: -70.345 bonds (distance) P-C4' energy: -67.262 flat angles C4'-P-C4' energy: -77.302 flat angles P-C4'-P energy: -41.482 tors. eta vs tors. theta energy: -91.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -987.973452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.973452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.973452 (E_RNA) where: Base-Base interactions energy: -662.211 where: short stacking energy: -296.699 Base-Backbone interact. energy: -1.761 local terms energy: -324.001375 where: bonds (distance) C4'-P energy: -55.325 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -73.745 flat angles P-C4'-P energy: -40.106 tors. eta vs tors. theta energy: -91.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -959.465715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.465715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.465715 (E_RNA) where: Base-Base interactions energy: -635.513 where: short stacking energy: -282.391 Base-Backbone interact. energy: -0.562 local terms energy: -323.391140 where: bonds (distance) C4'-P energy: -56.850 bonds (distance) P-C4' energy: -64.746 flat angles C4'-P-C4' energy: -68.732 flat angles P-C4'-P energy: -45.087 tors. eta vs tors. theta energy: -87.976 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: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -916.503814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.503814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.503814 (E_RNA) where: Base-Base interactions energy: -603.224 where: short stacking energy: -263.227 Base-Backbone interact. energy: 2.037 local terms energy: -315.316664 where: bonds (distance) C4'-P energy: -63.638 bonds (distance) P-C4' energy: -58.181 flat angles C4'-P-C4' energy: -71.678 flat angles P-C4'-P energy: -39.195 tors. eta vs tors. theta energy: -82.626 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: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -849.427861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.427861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.427861 (E_RNA) where: Base-Base interactions energy: -575.725 where: short stacking energy: -245.257 Base-Backbone interact. energy: -1.922 local terms energy: -271.781281 where: bonds (distance) C4'-P energy: -55.116 bonds (distance) P-C4' energy: -45.948 flat angles C4'-P-C4' energy: -68.359 flat angles P-C4'-P energy: -36.375 tors. eta vs tors. theta energy: -65.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -578.834541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.834541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.834541 (E_RNA) where: Base-Base interactions energy: -332.372 where: short stacking energy: -159.949 Base-Backbone interact. energy: -1.003 local terms energy: -245.459760 where: bonds (distance) C4'-P energy: -60.524 bonds (distance) P-C4' energy: -59.001 flat angles C4'-P-C4' energy: -59.347 flat angles P-C4'-P energy: -34.285 tors. eta vs tors. theta energy: -32.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -484.421702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.421702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.421702 (E_RNA) where: Base-Base interactions energy: -266.198 where: short stacking energy: -130.600 Base-Backbone interact. energy: -1.706 local terms energy: -216.517417 where: bonds (distance) C4'-P energy: -56.171 bonds (distance) P-C4' energy: -55.895 flat angles C4'-P-C4' energy: -61.457 flat angles P-C4'-P energy: -25.823 tors. eta vs tors. theta energy: -17.171 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: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -472.688056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.688056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.688056 (E_RNA) where: Base-Base interactions energy: -284.203 where: short stacking energy: -156.860 Base-Backbone interact. energy: -0.616 local terms energy: -187.869144 where: bonds (distance) C4'-P energy: -54.827 bonds (distance) P-C4' energy: -38.575 flat angles C4'-P-C4' energy: -38.473 flat angles P-C4'-P energy: -22.108 tors. eta vs tors. theta energy: -33.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -294.863189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.863189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.863189 (E_RNA) where: Base-Base interactions energy: -139.222 where: short stacking energy: -106.891 Base-Backbone interact. energy: -0.970 local terms energy: -154.671282 where: bonds (distance) C4'-P energy: -47.495 bonds (distance) P-C4' energy: -35.052 flat angles C4'-P-C4' energy: -46.756 flat angles P-C4'-P energy: -20.697 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: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1076.004556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.004556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.004556 (E_RNA) where: Base-Base interactions energy: -722.749 where: short stacking energy: -315.030 Base-Backbone interact. energy: -0.592 local terms energy: -352.663653 where: bonds (distance) C4'-P energy: -64.081 bonds (distance) P-C4' energy: -61.778 flat angles C4'-P-C4' energy: -76.204 flat angles P-C4'-P energy: -49.941 tors. eta vs tors. theta energy: -100.659 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: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1093.795966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.795966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.795966 (E_RNA) where: Base-Base interactions energy: -737.417 where: short stacking energy: -311.086 Base-Backbone interact. energy: -0.182 local terms energy: -356.197011 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -64.731 flat angles C4'-P-C4' energy: -74.218 flat angles P-C4'-P energy: -51.161 tors. eta vs tors. theta energy: -96.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -997.074879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.074879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.074879 (E_RNA) where: Base-Base interactions energy: -674.348 where: short stacking energy: -290.887 Base-Backbone interact. energy: -0.620 local terms energy: -322.106898 where: bonds (distance) C4'-P energy: -56.283 bonds (distance) P-C4' energy: -58.401 flat angles C4'-P-C4' energy: -67.719 flat angles P-C4'-P energy: -47.984 tors. eta vs tors. theta energy: -91.721 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: 1 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -944.060709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.060709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.060709 (E_RNA) where: Base-Base interactions energy: -634.294 where: short stacking energy: -272.592 Base-Backbone interact. energy: -0.800 local terms energy: -308.966330 where: bonds (distance) C4'-P energy: -56.006 bonds (distance) P-C4' energy: -57.716 flat angles C4'-P-C4' energy: -67.433 flat angles P-C4'-P energy: -44.995 tors. eta vs tors. theta energy: -82.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -959.125094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.125094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.125094 (E_RNA) where: Base-Base interactions energy: -660.101 where: short stacking energy: -291.445 Base-Backbone interact. energy: -0.861 local terms energy: -298.163356 where: bonds (distance) C4'-P energy: -57.228 bonds (distance) P-C4' energy: -53.144 flat angles C4'-P-C4' energy: -63.914 flat angles P-C4'-P energy: -33.390 tors. eta vs tors. theta energy: -90.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -845.014636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.014636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.014636 (E_RNA) where: Base-Base interactions energy: -570.830 where: short stacking energy: -245.757 Base-Backbone interact. energy: -1.253 local terms energy: -272.931719 where: bonds (distance) C4'-P energy: -49.569 bonds (distance) P-C4' energy: -47.388 flat angles C4'-P-C4' energy: -64.114 flat angles P-C4'-P energy: -34.906 tors. eta vs tors. theta energy: -76.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -619.489962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.489962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.489962 (E_RNA) where: Base-Base interactions energy: -390.858 where: short stacking energy: -186.297 Base-Backbone interact. energy: -1.333 local terms energy: -227.298777 where: bonds (distance) C4'-P energy: -39.486 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -57.908 flat angles P-C4'-P energy: -33.255 tors. eta vs tors. theta energy: -36.160 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: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -480.028134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.028134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.028134 (E_RNA) where: Base-Base interactions energy: -266.777 where: short stacking energy: -134.084 Base-Backbone interact. energy: -0.627 local terms energy: -212.623983 where: bonds (distance) C4'-P energy: -44.495 bonds (distance) P-C4' energy: -54.187 flat angles C4'-P-C4' energy: -45.462 flat angles P-C4'-P energy: -37.919 tors. eta vs tors. theta energy: -30.561 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: 4 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -433.927276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.927276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.927276 (E_RNA) where: Base-Base interactions energy: -217.913 where: short stacking energy: -99.360 Base-Backbone interact. energy: 0.998 local terms energy: -217.012093 where: bonds (distance) C4'-P energy: -44.696 bonds (distance) P-C4' energy: -54.737 flat angles C4'-P-C4' energy: -60.932 flat angles P-C4'-P energy: -39.137 tors. eta vs tors. theta energy: -17.511 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: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -279.421147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.421147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.421147 (E_RNA) where: Base-Base interactions energy: -93.160 where: short stacking energy: -79.083 Base-Backbone interact. energy: -2.355 local terms energy: -183.905838 where: bonds (distance) C4'-P energy: -55.376 bonds (distance) P-C4' energy: -53.239 flat angles C4'-P-C4' energy: -61.436 flat angles P-C4'-P energy: -26.631 tors. eta vs tors. theta energy: 12.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1072.348221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.348221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.348221 (E_RNA) where: Base-Base interactions energy: -712.890 where: short stacking energy: -308.989 Base-Backbone interact. energy: -2.086 local terms energy: -357.372327 where: bonds (distance) C4'-P energy: -69.148 bonds (distance) P-C4' energy: -65.294 flat angles C4'-P-C4' energy: -78.734 flat angles P-C4'-P energy: -49.947 tors. eta vs tors. theta energy: -94.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1061.748105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.748105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.748105 (E_RNA) where: Base-Base interactions energy: -730.572 where: short stacking energy: -306.612 Base-Backbone interact. energy: -1.091 local terms energy: -330.085034 where: bonds (distance) C4'-P energy: -66.702 bonds (distance) P-C4' energy: -59.111 flat angles C4'-P-C4' energy: -64.836 flat angles P-C4'-P energy: -46.448 tors. eta vs tors. theta energy: -92.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -997.383439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.383439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.383439 (E_RNA) where: Base-Base interactions energy: -678.300 where: short stacking energy: -282.265 Base-Backbone interact. energy: -0.118 local terms energy: -318.965240 where: bonds (distance) C4'-P energy: -58.489 bonds (distance) P-C4' energy: -66.157 flat angles C4'-P-C4' energy: -65.150 flat angles P-C4'-P energy: -44.118 tors. eta vs tors. theta energy: -85.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -990.493202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.493202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.493202 (E_RNA) where: Base-Base interactions energy: -669.572 where: short stacking energy: -292.959 Base-Backbone interact. energy: -2.153 local terms energy: -318.767920 where: bonds (distance) C4'-P energy: -59.828 bonds (distance) P-C4' energy: -60.533 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: -94.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -938.634521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.634521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.634521 (E_RNA) where: Base-Base interactions energy: -636.647 where: short stacking energy: -258.018 Base-Backbone interact. energy: -1.677 local terms energy: -300.309847 where: bonds (distance) C4'-P energy: -53.018 bonds (distance) P-C4' energy: -63.100 flat angles C4'-P-C4' energy: -61.300 flat angles P-C4'-P energy: -41.905 tors. eta vs tors. theta energy: -80.988 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: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -822.440720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.440720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.440720 (E_RNA) where: Base-Base interactions energy: -557.768 where: short stacking energy: -241.370 Base-Backbone interact. energy: -0.771 local terms energy: -263.901500 where: bonds (distance) C4'-P energy: -42.377 bonds (distance) P-C4' energy: -54.714 flat angles C4'-P-C4' energy: -60.627 flat angles P-C4'-P energy: -36.975 tors. eta vs tors. theta energy: -69.209 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: 3 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -540.514922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.514922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.514922 (E_RNA) where: Base-Base interactions energy: -323.567 where: short stacking energy: -168.120 Base-Backbone interact. energy: -1.086 local terms energy: -215.861892 where: bonds (distance) C4'-P energy: -45.266 bonds (distance) P-C4' energy: -51.840 flat angles C4'-P-C4' energy: -48.707 flat angles P-C4'-P energy: -36.222 tors. eta vs tors. theta energy: -33.828 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: 8, replica: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -486.576412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.576412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.576412 (E_RNA) where: Base-Base interactions energy: -262.340 where: short stacking energy: -137.507 Base-Backbone interact. energy: -2.972 local terms energy: -221.264384 where: bonds (distance) C4'-P energy: -61.212 bonds (distance) P-C4' energy: -62.873 flat angles C4'-P-C4' energy: -44.536 flat angles P-C4'-P energy: -32.792 tors. eta vs tors. theta energy: -19.852 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: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -470.410597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.410597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.410597 (E_RNA) where: Base-Base interactions energy: -257.086 where: short stacking energy: -133.914 Base-Backbone interact. energy: -2.814 local terms energy: -210.510609 where: bonds (distance) C4'-P energy: -61.360 bonds (distance) P-C4' energy: -50.663 flat angles C4'-P-C4' energy: -45.350 flat angles P-C4'-P energy: -31.322 tors. eta vs tors. theta energy: -21.815 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: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -261.186054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.186054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.186054 (E_RNA) where: Base-Base interactions energy: -77.759 where: short stacking energy: -67.877 Base-Backbone interact. energy: 0.599 local terms energy: -184.026616 where: bonds (distance) C4'-P energy: -45.543 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -49.793 flat angles P-C4'-P energy: -30.846 tors. eta vs tors. theta energy: 3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1097.620165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.620165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.620165 (E_RNA) where: Base-Base interactions energy: -749.774 where: short stacking energy: -323.506 Base-Backbone interact. energy: 0.872 local terms energy: -348.718222 where: bonds (distance) C4'-P energy: -66.878 bonds (distance) P-C4' energy: -64.688 flat angles C4'-P-C4' energy: -67.824 flat angles P-C4'-P energy: -49.915 tors. eta vs tors. theta energy: -99.414 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: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1083.396910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.396910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.396910 (E_RNA) where: Base-Base interactions energy: -735.004 where: short stacking energy: -326.316 Base-Backbone interact. energy: -0.154 local terms energy: -348.239196 where: bonds (distance) C4'-P energy: -59.599 bonds (distance) P-C4' energy: -65.159 flat angles C4'-P-C4' energy: -69.942 flat angles P-C4'-P energy: -51.023 tors. eta vs tors. theta energy: -102.518 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: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1016.132947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.132947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.132947 (E_RNA) where: Base-Base interactions energy: -684.571 where: short stacking energy: -296.456 Base-Backbone interact. energy: -2.221 local terms energy: -329.341041 where: bonds (distance) C4'-P energy: -65.915 bonds (distance) P-C4' energy: -63.978 flat angles C4'-P-C4' energy: -69.101 flat angles P-C4'-P energy: -38.256 tors. eta vs tors. theta energy: -92.091 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: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -976.907170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.907170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.907170 (E_RNA) where: Base-Base interactions energy: -641.798 where: short stacking energy: -275.552 Base-Backbone interact. energy: -0.782 local terms energy: -334.326968 where: bonds (distance) C4'-P energy: -59.158 bonds (distance) P-C4' energy: -62.267 flat angles C4'-P-C4' energy: -74.280 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: -93.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -901.330097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.330097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.330097 (E_RNA) where: Base-Base interactions energy: -601.455 where: short stacking energy: -255.672 Base-Backbone interact. energy: -0.859 local terms energy: -299.015380 where: bonds (distance) C4'-P energy: -62.390 bonds (distance) P-C4' energy: -59.431 flat angles C4'-P-C4' energy: -55.636 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: -73.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -835.699116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.699116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.699116 (E_RNA) where: Base-Base interactions energy: -560.014 where: short stacking energy: -239.481 Base-Backbone interact. energy: -0.215 local terms energy: -275.470600 where: bonds (distance) C4'-P energy: -58.277 bonds (distance) P-C4' energy: -54.672 flat angles C4'-P-C4' energy: -52.765 flat angles P-C4'-P energy: -35.918 tors. eta vs tors. theta energy: -73.839 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: 3 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -535.157546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.157546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.157546 (E_RNA) where: Base-Base interactions energy: -311.823 where: short stacking energy: -146.724 Base-Backbone interact. energy: -0.950 local terms energy: -222.384460 where: bonds (distance) C4'-P energy: -48.583 bonds (distance) P-C4' energy: -57.302 flat angles C4'-P-C4' energy: -60.206 flat angles P-C4'-P energy: -21.870 tors. eta vs tors. theta energy: -34.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -488.106950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.106950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.106950 (E_RNA) where: Base-Base interactions energy: -284.771 where: short stacking energy: -147.977 Base-Backbone interact. energy: -0.917 local terms energy: -202.418840 where: bonds (distance) C4'-P energy: -45.537 bonds (distance) P-C4' energy: -53.338 flat angles C4'-P-C4' energy: -54.118 flat angles P-C4'-P energy: -25.253 tors. eta vs tors. theta energy: -24.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -450.071029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.071029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.071029 (E_RNA) where: Base-Base interactions energy: -253.209 where: short stacking energy: -125.907 Base-Backbone interact. energy: -1.427 local terms energy: -195.434557 where: bonds (distance) C4'-P energy: -39.944 bonds (distance) P-C4' energy: -46.083 flat angles C4'-P-C4' energy: -57.306 flat angles P-C4'-P energy: -26.608 tors. eta vs tors. theta energy: -25.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -260.400997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.400997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.400997 (E_RNA) where: Base-Base interactions energy: -93.936 where: short stacking energy: -55.150 Base-Backbone interact. energy: -2.722 local terms energy: -163.743303 where: bonds (distance) C4'-P energy: -52.443 bonds (distance) P-C4' energy: -61.852 flat angles C4'-P-C4' energy: -33.794 flat angles P-C4'-P energy: -24.324 tors. eta vs tors. theta energy: 8.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1106.540519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.540519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.540519 (E_RNA) where: Base-Base interactions energy: -756.847 where: short stacking energy: -327.959 Base-Backbone interact. energy: -0.208 local terms energy: -349.485544 where: bonds (distance) C4'-P energy: -63.584 bonds (distance) P-C4' energy: -58.370 flat angles C4'-P-C4' energy: -72.452 flat angles P-C4'-P energy: -53.097 tors. eta vs tors. theta energy: -101.984 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: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1106.745862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.745862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.745862 (E_RNA) where: Base-Base interactions energy: -753.728 where: short stacking energy: -326.059 Base-Backbone interact. energy: -1.429 local terms energy: -351.588875 where: bonds (distance) C4'-P energy: -57.010 bonds (distance) P-C4' energy: -64.088 flat angles C4'-P-C4' energy: -78.166 flat angles P-C4'-P energy: -49.073 tors. eta vs tors. theta energy: -103.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -998.524578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.524578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.524578 (E_RNA) where: Base-Base interactions energy: -668.498 where: short stacking energy: -300.437 Base-Backbone interact. energy: -0.225 local terms energy: -329.801508 where: bonds (distance) C4'-P energy: -57.133 bonds (distance) P-C4' energy: -66.297 flat angles C4'-P-C4' energy: -61.909 flat angles P-C4'-P energy: -51.166 tors. eta vs tors. theta energy: -93.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -975.558588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.558588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.558588 (E_RNA) where: Base-Base interactions energy: -656.809 where: short stacking energy: -274.913 Base-Backbone interact. energy: -1.232 local terms energy: -317.517034 where: bonds (distance) C4'-P energy: -54.960 bonds (distance) P-C4' energy: -57.793 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -49.818 tors. eta vs tors. theta energy: -82.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -884.740957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.740957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.740957 (E_RNA) where: Base-Base interactions energy: -576.465 where: short stacking energy: -250.186 Base-Backbone interact. energy: -1.311 local terms energy: -306.964737 where: bonds (distance) C4'-P energy: -66.083 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -56.125 flat angles P-C4'-P energy: -40.235 tors. eta vs tors. theta energy: -80.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -821.025345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.025345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.025345 (E_RNA) where: Base-Base interactions energy: -531.338 where: short stacking energy: -234.717 Base-Backbone interact. energy: 1.775 local terms energy: -291.462049 where: bonds (distance) C4'-P energy: -60.029 bonds (distance) P-C4' energy: -48.847 flat angles C4'-P-C4' energy: -63.554 flat angles P-C4'-P energy: -48.228 tors. eta vs tors. theta energy: -70.804 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: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -652.066777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.066777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.066777 (E_RNA) where: Base-Base interactions energy: -400.601 where: short stacking energy: -186.982 Base-Backbone interact. energy: -2.467 local terms energy: -248.999053 where: bonds (distance) C4'-P energy: -56.104 bonds (distance) P-C4' energy: -72.148 flat angles C4'-P-C4' energy: -52.334 flat angles P-C4'-P energy: -32.982 tors. eta vs tors. theta energy: -35.430 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: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -502.658366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.658366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.658366 (E_RNA) where: Base-Base interactions energy: -263.639 where: short stacking energy: -151.676 Base-Backbone interact. energy: 3.230 local terms energy: -242.249499 where: bonds (distance) C4'-P energy: -56.647 bonds (distance) P-C4' energy: -50.530 flat angles C4'-P-C4' energy: -69.090 flat angles P-C4'-P energy: -37.326 tors. eta vs tors. theta energy: -28.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -469.263936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.263936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.263936 (E_RNA) where: Base-Base interactions energy: -261.992 where: short stacking energy: -136.818 Base-Backbone interact. energy: 0.369 local terms energy: -207.640664 where: bonds (distance) C4'-P energy: -51.427 bonds (distance) P-C4' energy: -55.013 flat angles C4'-P-C4' energy: -43.944 flat angles P-C4'-P energy: -35.314 tors. eta vs tors. theta energy: -21.942 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: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -319.213782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.213782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.213782 (E_RNA) where: Base-Base interactions energy: -135.477 where: short stacking energy: -67.782 Base-Backbone interact. energy: 3.079 local terms energy: -186.815555 where: bonds (distance) C4'-P energy: -64.847 bonds (distance) P-C4' energy: -45.736 flat angles C4'-P-C4' energy: -46.235 flat angles P-C4'-P energy: -29.109 tors. eta vs tors. theta energy: -0.888 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: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1115.156856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.156856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.156856 (E_RNA) where: Base-Base interactions energy: -773.385 where: short stacking energy: -321.065 Base-Backbone interact. energy: -1.740 local terms energy: -340.031133 where: bonds (distance) C4'-P energy: -64.819 bonds (distance) P-C4' energy: -53.015 flat angles C4'-P-C4' energy: -71.441 flat angles P-C4'-P energy: -45.505 tors. eta vs tors. theta energy: -105.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1069.404203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.404203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.404203 (E_RNA) where: Base-Base interactions energy: -743.167 where: short stacking energy: -326.366 Base-Backbone interact. energy: -0.711 local terms energy: -325.526067 where: bonds (distance) C4'-P energy: -47.284 bonds (distance) P-C4' energy: -65.782 flat angles C4'-P-C4' energy: -70.288 flat angles P-C4'-P energy: -40.044 tors. eta vs tors. theta energy: -102.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1006.609445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.609445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.609445 (E_RNA) where: Base-Base interactions energy: -690.036 where: short stacking energy: -297.630 Base-Backbone interact. energy: -1.012 local terms energy: -315.561976 where: bonds (distance) C4'-P energy: -58.879 bonds (distance) P-C4' energy: -59.533 flat angles C4'-P-C4' energy: -69.254 flat angles P-C4'-P energy: -35.420 tors. eta vs tors. theta energy: -92.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -978.754479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.754479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.754479 (E_RNA) where: Base-Base interactions energy: -657.937 where: short stacking energy: -273.170 Base-Backbone interact. energy: 0.248 local terms energy: -321.065478 where: bonds (distance) C4'-P energy: -59.934 bonds (distance) P-C4' energy: -66.675 flat angles C4'-P-C4' energy: -68.435 flat angles P-C4'-P energy: -43.632 tors. eta vs tors. theta energy: -82.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -881.626302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.626302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.626302 (E_RNA) where: Base-Base interactions energy: -581.524 where: short stacking energy: -252.781 Base-Backbone interact. energy: -1.438 local terms energy: -298.663522 where: bonds (distance) C4'-P energy: -48.068 bonds (distance) P-C4' energy: -61.187 flat angles C4'-P-C4' energy: -64.627 flat angles P-C4'-P energy: -41.019 tors. eta vs tors. theta energy: -83.762 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: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -803.367226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.367226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.367226 (E_RNA) where: Base-Base interactions energy: -529.168 where: short stacking energy: -223.643 Base-Backbone interact. energy: 0.447 local terms energy: -274.646293 where: bonds (distance) C4'-P energy: -52.727 bonds (distance) P-C4' energy: -53.706 flat angles C4'-P-C4' energy: -65.193 flat angles P-C4'-P energy: -37.979 tors. eta vs tors. theta energy: -65.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -615.531331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.531331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.531331 (E_RNA) where: Base-Base interactions energy: -376.193 where: short stacking energy: -170.236 Base-Backbone interact. energy: -0.798 local terms energy: -238.540356 where: bonds (distance) C4'-P energy: -66.632 bonds (distance) P-C4' energy: -51.502 flat angles C4'-P-C4' energy: -52.614 flat angles P-C4'-P energy: -32.278 tors. eta vs tors. theta energy: -35.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -479.804233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.804233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.804233 (E_RNA) where: Base-Base interactions energy: -271.188 where: short stacking energy: -135.334 Base-Backbone interact. energy: -0.926 local terms energy: -207.690700 where: bonds (distance) C4'-P energy: -45.858 bonds (distance) P-C4' energy: -43.520 flat angles C4'-P-C4' energy: -62.921 flat angles P-C4'-P energy: -28.765 tors. eta vs tors. theta energy: -26.627 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: 4 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -470.998489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.998489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.998489 (E_RNA) where: Base-Base interactions energy: -263.172 where: short stacking energy: -140.186 Base-Backbone interact. energy: -0.582 local terms energy: -207.245150 where: bonds (distance) C4'-P energy: -56.657 bonds (distance) P-C4' energy: -42.473 flat angles C4'-P-C4' energy: -49.910 flat angles P-C4'-P energy: -35.095 tors. eta vs tors. theta energy: -23.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -358.999692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.999692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.999692 (E_RNA) where: Base-Base interactions energy: -205.957 where: short stacking energy: -96.211 Base-Backbone interact. energy: 2.984 local terms energy: -156.027270 where: bonds (distance) C4'-P energy: -45.597 bonds (distance) P-C4' energy: -57.101 flat angles C4'-P-C4' energy: -38.773 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1129.322538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.322538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.322538 (E_RNA) where: Base-Base interactions energy: -765.697 where: short stacking energy: -329.597 Base-Backbone interact. energy: -2.753 local terms energy: -360.872758 where: bonds (distance) C4'-P energy: -56.206 bonds (distance) P-C4' energy: -64.809 flat angles C4'-P-C4' energy: -76.720 flat angles P-C4'-P energy: -53.093 tors. eta vs tors. theta energy: -110.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1065.636023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.636023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.636023 (E_RNA) where: Base-Base interactions energy: -727.109 where: short stacking energy: -324.637 Base-Backbone interact. energy: -0.543 local terms energy: -337.983561 where: bonds (distance) C4'-P energy: -56.709 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -69.237 flat angles P-C4'-P energy: -50.192 tors. eta vs tors. theta energy: -101.868 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: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -979.511798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.511798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.511798 (E_RNA) where: Base-Base interactions energy: -654.562 where: short stacking energy: -293.551 Base-Backbone interact. energy: 0.160 local terms energy: -325.108940 where: bonds (distance) C4'-P energy: -55.098 bonds (distance) P-C4' energy: -56.834 flat angles C4'-P-C4' energy: -68.607 flat angles P-C4'-P energy: -55.372 tors. eta vs tors. theta energy: -89.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -961.320367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.320367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.320367 (E_RNA) where: Base-Base interactions energy: -681.889 where: short stacking energy: -286.160 Base-Backbone interact. energy: 0.393 local terms energy: -279.823771 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -51.711 flat angles C4'-P-C4' energy: -58.437 flat angles P-C4'-P energy: -34.676 tors. eta vs tors. theta energy: -82.795 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: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -914.192974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.192974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.192974 (E_RNA) where: Base-Base interactions energy: -605.469 where: short stacking energy: -259.550 Base-Backbone interact. energy: -0.465 local terms energy: -308.259170 where: bonds (distance) C4'-P energy: -58.453 bonds (distance) P-C4' energy: -58.476 flat angles C4'-P-C4' energy: -58.258 flat angles P-C4'-P energy: -51.773 tors. eta vs tors. theta energy: -81.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -826.443079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.443079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.443079 (E_RNA) where: Base-Base interactions energy: -553.217 where: short stacking energy: -232.097 Base-Backbone interact. energy: -0.288 local terms energy: -272.937299 where: bonds (distance) C4'-P energy: -53.993 bonds (distance) P-C4' energy: -54.763 flat angles C4'-P-C4' energy: -60.361 flat angles P-C4'-P energy: -32.668 tors. eta vs tors. theta energy: -71.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -636.558458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.558458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.558458 (E_RNA) where: Base-Base interactions energy: -384.970 where: short stacking energy: -166.259 Base-Backbone interact. energy: -2.349 local terms energy: -249.239233 where: bonds (distance) C4'-P energy: -58.013 bonds (distance) P-C4' energy: -65.712 flat angles C4'-P-C4' energy: -55.919 flat angles P-C4'-P energy: -36.284 tors. eta vs tors. theta energy: -33.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -487.595201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.595201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.595201 (E_RNA) where: Base-Base interactions energy: -284.566 where: short stacking energy: -137.536 Base-Backbone interact. energy: 1.243 local terms energy: -204.272339 where: bonds (distance) C4'-P energy: -43.232 bonds (distance) P-C4' energy: -53.750 flat angles C4'-P-C4' energy: -58.140 flat angles P-C4'-P energy: -35.325 tors. eta vs tors. theta energy: -13.825 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: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -465.444789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.444789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.444789 (E_RNA) where: Base-Base interactions energy: -250.895 where: short stacking energy: -117.239 Base-Backbone interact. energy: 0.470 local terms energy: -215.020512 where: bonds (distance) C4'-P energy: -49.451 bonds (distance) P-C4' energy: -57.280 flat angles C4'-P-C4' energy: -55.895 flat angles P-C4'-P energy: -27.972 tors. eta vs tors. theta energy: -24.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -322.044539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.044539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.044539 (E_RNA) where: Base-Base interactions energy: -147.343 where: short stacking energy: -97.959 Base-Backbone interact. energy: 3.087 local terms energy: -177.788490 where: bonds (distance) C4'-P energy: -54.153 bonds (distance) P-C4' energy: -50.936 flat angles C4'-P-C4' energy: -48.583 flat angles P-C4'-P energy: -16.101 tors. eta vs tors. theta energy: -8.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1095.179613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.179613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.179613 (E_RNA) where: Base-Base interactions energy: -748.075 where: short stacking energy: -331.341 Base-Backbone interact. energy: -0.272 local terms energy: -346.832987 where: bonds (distance) C4'-P energy: -63.314 bonds (distance) P-C4' energy: -67.457 flat angles C4'-P-C4' energy: -73.513 flat angles P-C4'-P energy: -47.611 tors. eta vs tors. theta energy: -94.937 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: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1072.117876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.117876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.117876 (E_RNA) where: Base-Base interactions energy: -735.939 where: short stacking energy: -319.150 Base-Backbone interact. energy: -0.011 local terms energy: -336.168118 where: bonds (distance) C4'-P energy: -51.578 bonds (distance) P-C4' energy: -57.889 flat angles C4'-P-C4' energy: -75.062 flat angles P-C4'-P energy: -49.985 tors. eta vs tors. theta energy: -101.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1001.000360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.000360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.000360 (E_RNA) where: Base-Base interactions energy: -662.102 where: short stacking energy: -287.308 Base-Backbone interact. energy: -1.154 local terms energy: -337.744513 where: bonds (distance) C4'-P energy: -62.832 bonds (distance) P-C4' energy: -65.489 flat angles C4'-P-C4' energy: -71.982 flat angles P-C4'-P energy: -47.967 tors. eta vs tors. theta energy: -89.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -971.188450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.188450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.188450 (E_RNA) where: Base-Base interactions energy: -641.177 where: short stacking energy: -274.493 Base-Backbone interact. energy: 0.023 local terms energy: -330.034515 where: bonds (distance) C4'-P energy: -68.269 bonds (distance) P-C4' energy: -56.771 flat angles C4'-P-C4' energy: -64.593 flat angles P-C4'-P energy: -54.056 tors. eta vs tors. theta energy: -86.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -910.731366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.731366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.731366 (E_RNA) where: Base-Base interactions energy: -611.823 where: short stacking energy: -256.535 Base-Backbone interact. energy: -1.400 local terms energy: -297.508433 where: bonds (distance) C4'-P energy: -56.111 bonds (distance) P-C4' energy: -52.095 flat angles C4'-P-C4' energy: -68.382 flat angles P-C4'-P energy: -42.311 tors. eta vs tors. theta energy: -78.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -840.936381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.936381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.936381 (E_RNA) where: Base-Base interactions energy: -538.758 where: short stacking energy: -232.936 Base-Backbone interact. energy: -0.143 local terms energy: -302.035375 where: bonds (distance) C4'-P energy: -57.062 bonds (distance) P-C4' energy: -62.712 flat angles C4'-P-C4' energy: -68.690 flat angles P-C4'-P energy: -40.191 tors. eta vs tors. theta energy: -73.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -629.309582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.309582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.309582 (E_RNA) where: Base-Base interactions energy: -405.280 where: short stacking energy: -177.353 Base-Backbone interact. energy: -0.554 local terms energy: -223.475825 where: bonds (distance) C4'-P energy: -50.700 bonds (distance) P-C4' energy: -48.542 flat angles C4'-P-C4' energy: -61.321 flat angles P-C4'-P energy: -29.295 tors. eta vs tors. theta energy: -33.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -482.574162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.574162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.574162 (E_RNA) where: Base-Base interactions energy: -263.221 where: short stacking energy: -121.387 Base-Backbone interact. energy: 6.553 local terms energy: -225.905826 where: bonds (distance) C4'-P energy: -59.569 bonds (distance) P-C4' energy: -54.358 flat angles C4'-P-C4' energy: -58.210 flat angles P-C4'-P energy: -27.674 tors. eta vs tors. theta energy: -26.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -467.019121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.019121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.019121 (E_RNA) where: Base-Base interactions energy: -255.945 where: short stacking energy: -128.143 Base-Backbone interact. energy: -1.628 local terms energy: -209.446741 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -69.955 flat angles C4'-P-C4' energy: -60.403 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -12.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -299.979951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.979951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.979951 (E_RNA) where: Base-Base interactions energy: -119.267 where: short stacking energy: -96.826 Base-Backbone interact. energy: -0.063 local terms energy: -180.650124 where: bonds (distance) C4'-P energy: -57.009 bonds (distance) P-C4' energy: -51.416 flat angles C4'-P-C4' energy: -37.978 flat angles P-C4'-P energy: -34.012 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1099.200682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.200682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.200682 (E_RNA) where: Base-Base interactions energy: -760.204 where: short stacking energy: -330.410 Base-Backbone interact. energy: -1.106 local terms energy: -337.890603 where: bonds (distance) C4'-P energy: -55.864 bonds (distance) P-C4' energy: -61.691 flat angles C4'-P-C4' energy: -68.629 flat angles P-C4'-P energy: -42.350 tors. eta vs tors. theta energy: -109.357 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: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1078.294846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.294846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.294846 (E_RNA) where: Base-Base interactions energy: -736.708 where: short stacking energy: -322.662 Base-Backbone interact. energy: -0.915 local terms energy: -340.672382 where: bonds (distance) C4'-P energy: -55.653 bonds (distance) P-C4' energy: -60.754 flat angles C4'-P-C4' energy: -73.825 flat angles P-C4'-P energy: -47.885 tors. eta vs tors. theta energy: -102.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -989.475696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.475696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.475696 (E_RNA) where: Base-Base interactions energy: -677.398 where: short stacking energy: -278.341 Base-Backbone interact. energy: -2.202 local terms energy: -309.875399 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -61.866 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -40.318 tors. eta vs tors. theta energy: -82.721 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: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -996.714743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.714743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.714743 (E_RNA) where: Base-Base interactions energy: -675.506 where: short stacking energy: -295.943 Base-Backbone interact. energy: -0.498 local terms energy: -320.710202 where: bonds (distance) C4'-P energy: -59.657 bonds (distance) P-C4' energy: -62.933 flat angles C4'-P-C4' energy: -63.068 flat angles P-C4'-P energy: -40.124 tors. eta vs tors. theta energy: -94.928 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: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -896.962648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.962648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.962648 (E_RNA) where: Base-Base interactions energy: -598.387 where: short stacking energy: -245.822 Base-Backbone interact. energy: -0.616 local terms energy: -297.959553 where: bonds (distance) C4'-P energy: -53.239 bonds (distance) P-C4' energy: -57.882 flat angles C4'-P-C4' energy: -65.871 flat angles P-C4'-P energy: -44.866 tors. eta vs tors. theta energy: -76.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -833.169411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.169411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.169411 (E_RNA) where: Base-Base interactions energy: -549.150 where: short stacking energy: -235.012 Base-Backbone interact. energy: -1.336 local terms energy: -282.683546 where: bonds (distance) C4'-P energy: -57.994 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -62.330 flat angles P-C4'-P energy: -29.523 tors. eta vs tors. theta energy: -78.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -711.983495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.983495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.983495 (E_RNA) where: Base-Base interactions energy: -471.453 where: short stacking energy: -200.388 Base-Backbone interact. energy: -0.632 local terms energy: -239.898849 where: bonds (distance) C4'-P energy: -66.205 bonds (distance) P-C4' energy: -49.552 flat angles C4'-P-C4' energy: -49.229 flat angles P-C4'-P energy: -26.180 tors. eta vs tors. theta energy: -48.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -523.503101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.503101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.503101 (E_RNA) where: Base-Base interactions energy: -297.956 where: short stacking energy: -173.962 Base-Backbone interact. energy: 1.253 local terms energy: -226.800713 where: bonds (distance) C4'-P energy: -48.866 bonds (distance) P-C4' energy: -56.724 flat angles C4'-P-C4' energy: -57.774 flat angles P-C4'-P energy: -29.832 tors. eta vs tors. theta energy: -33.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -445.101699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.101699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.101699 (E_RNA) where: Base-Base interactions energy: -221.698 where: short stacking energy: -108.710 Base-Backbone interact. energy: 0.834 local terms energy: -224.238154 where: bonds (distance) C4'-P energy: -51.344 bonds (distance) P-C4' energy: -59.502 flat angles C4'-P-C4' energy: -61.370 flat angles P-C4'-P energy: -38.167 tors. eta vs tors. theta energy: -13.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -284.908378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.908378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.908378 (E_RNA) where: Base-Base interactions energy: -102.803 where: short stacking energy: -66.990 Base-Backbone interact. energy: 2.974 local terms energy: -185.079856 where: bonds (distance) C4'-P energy: -50.355 bonds (distance) P-C4' energy: -63.687 flat angles C4'-P-C4' energy: -43.978 flat angles P-C4'-P energy: -28.516 tors. eta vs tors. theta energy: 1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1109.711866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.711866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.711866 (E_RNA) where: Base-Base interactions energy: -751.808 where: short stacking energy: -341.511 Base-Backbone interact. energy: -0.530 local terms energy: -357.373765 where: bonds (distance) C4'-P energy: -62.843 bonds (distance) P-C4' energy: -59.928 flat angles C4'-P-C4' energy: -70.559 flat angles P-C4'-P energy: -61.230 tors. eta vs tors. theta energy: -102.814 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: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1071.846383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.846383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.846383 (E_RNA) where: Base-Base interactions energy: -740.145 where: short stacking energy: -299.906 Base-Backbone interact. energy: -0.149 local terms energy: -331.552673 where: bonds (distance) C4'-P energy: -61.899 bonds (distance) P-C4' energy: -56.833 flat angles C4'-P-C4' energy: -73.866 flat angles P-C4'-P energy: -42.431 tors. eta vs tors. theta energy: -96.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1003.947344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.947344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.947344 (E_RNA) where: Base-Base interactions energy: -693.416 where: short stacking energy: -304.258 Base-Backbone interact. energy: -0.661 local terms energy: -309.870715 where: bonds (distance) C4'-P energy: -53.386 bonds (distance) P-C4' energy: -49.596 flat angles C4'-P-C4' energy: -63.133 flat angles P-C4'-P energy: -47.137 tors. eta vs tors. theta energy: -96.618 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: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -962.678970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.678970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.678970 (E_RNA) where: Base-Base interactions energy: -660.548 where: short stacking energy: -279.106 Base-Backbone interact. energy: -1.600 local terms energy: -300.531083 where: bonds (distance) C4'-P energy: -57.002 bonds (distance) P-C4' energy: -50.016 flat angles C4'-P-C4' energy: -62.936 flat angles P-C4'-P energy: -47.800 tors. eta vs tors. theta energy: -82.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -915.393715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.393715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.393715 (E_RNA) where: Base-Base interactions energy: -608.231 where: short stacking energy: -263.465 Base-Backbone interact. energy: 0.303 local terms energy: -307.465625 where: bonds (distance) C4'-P energy: -66.347 bonds (distance) P-C4' energy: -51.923 flat angles C4'-P-C4' energy: -74.417 flat angles P-C4'-P energy: -37.608 tors. eta vs tors. theta energy: -77.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -836.424639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.424639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.424639 (E_RNA) where: Base-Base interactions energy: -556.230 where: short stacking energy: -244.587 Base-Backbone interact. energy: 1.804 local terms energy: -281.999222 where: bonds (distance) C4'-P energy: -56.868 bonds (distance) P-C4' energy: -59.653 flat angles C4'-P-C4' energy: -56.886 flat angles P-C4'-P energy: -36.188 tors. eta vs tors. theta energy: -72.404 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: 7, replica: 3 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -682.435041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.435041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.435041 (E_RNA) where: Base-Base interactions energy: -432.592 where: short stacking energy: -177.684 Base-Backbone interact. energy: -1.617 local terms energy: -248.225929 where: bonds (distance) C4'-P energy: -58.519 bonds (distance) P-C4' energy: -63.503 flat angles C4'-P-C4' energy: -50.980 flat angles P-C4'-P energy: -33.809 tors. eta vs tors. theta energy: -41.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -506.037435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.037435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.037435 (E_RNA) where: Base-Base interactions energy: -284.039 where: short stacking energy: -155.216 Base-Backbone interact. energy: 0.672 local terms energy: -222.670064 where: bonds (distance) C4'-P energy: -52.209 bonds (distance) P-C4' energy: -52.433 flat angles C4'-P-C4' energy: -55.791 flat angles P-C4'-P energy: -28.737 tors. eta vs tors. theta energy: -33.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -476.956571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.956571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.956571 (E_RNA) where: Base-Base interactions energy: -276.792 where: short stacking energy: -148.135 Base-Backbone interact. energy: -0.399 local terms energy: -199.765799 where: bonds (distance) C4'-P energy: -49.904 bonds (distance) P-C4' energy: -54.474 flat angles C4'-P-C4' energy: -52.703 flat angles P-C4'-P energy: -24.898 tors. eta vs tors. theta energy: -17.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -254.104748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.104748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.104748 (E_RNA) where: Base-Base interactions energy: -64.798 where: short stacking energy: -52.327 Base-Backbone interact. energy: 2.648 local terms energy: -191.955598 where: bonds (distance) C4'-P energy: -57.181 bonds (distance) P-C4' energy: -54.864 flat angles C4'-P-C4' energy: -50.402 flat angles P-C4'-P energy: -29.922 tors. eta vs tors. theta energy: 0.414 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: 7 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1110.216077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.216077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.216077 (E_RNA) where: Base-Base interactions energy: -760.765 where: short stacking energy: -331.219 Base-Backbone interact. energy: 2.545 local terms energy: -351.996160 where: bonds (distance) C4'-P energy: -56.610 bonds (distance) P-C4' energy: -66.323 flat angles C4'-P-C4' energy: -68.075 flat angles P-C4'-P energy: -54.420 tors. eta vs tors. theta energy: -106.568 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: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1100.696971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.696971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.696971 (E_RNA) where: Base-Base interactions energy: -752.491 where: short stacking energy: -332.255 Base-Backbone interact. energy: -0.138 local terms energy: -348.068588 where: bonds (distance) C4'-P energy: -52.965 bonds (distance) P-C4' energy: -61.298 flat angles C4'-P-C4' energy: -75.271 flat angles P-C4'-P energy: -54.972 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: 3, replica: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1014.705088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.705088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.705088 (E_RNA) where: Base-Base interactions energy: -695.109 where: short stacking energy: -279.855 Base-Backbone interact. energy: -1.077 local terms energy: -318.518897 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -55.112 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -46.809 tors. eta vs tors. theta energy: -86.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -993.697409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.697409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.697409 (E_RNA) where: Base-Base interactions energy: -670.755 where: short stacking energy: -285.001 Base-Backbone interact. energy: -1.289 local terms energy: -321.653004 where: bonds (distance) C4'-P energy: -59.042 bonds (distance) P-C4' energy: -58.229 flat angles C4'-P-C4' energy: -66.055 flat angles P-C4'-P energy: -45.734 tors. eta vs tors. theta energy: -92.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -917.075701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.075701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.075701 (E_RNA) where: Base-Base interactions energy: -624.484 where: short stacking energy: -250.112 Base-Backbone interact. energy: 0.357 local terms energy: -292.948118 where: bonds (distance) C4'-P energy: -48.685 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -59.966 flat angles P-C4'-P energy: -44.005 tors. eta vs tors. theta energy: -76.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -816.496228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.496228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.496228 (E_RNA) where: Base-Base interactions energy: -535.648 where: short stacking energy: -238.818 Base-Backbone interact. energy: -0.282 local terms energy: -280.566727 where: bonds (distance) C4'-P energy: -39.968 bonds (distance) P-C4' energy: -56.759 flat angles C4'-P-C4' energy: -71.633 flat angles P-C4'-P energy: -50.456 tors. eta vs tors. theta energy: -61.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -686.913521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.913521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.913521 (E_RNA) where: Base-Base interactions energy: -448.219 where: short stacking energy: -197.513 Base-Backbone interact. energy: 3.414 local terms energy: -242.108900 where: bonds (distance) C4'-P energy: -50.496 bonds (distance) P-C4' energy: -50.484 flat angles C4'-P-C4' energy: -58.905 flat angles P-C4'-P energy: -35.466 tors. eta vs tors. theta energy: -46.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -478.131609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.131609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.131609 (E_RNA) where: Base-Base interactions energy: -284.900 where: short stacking energy: -135.069 Base-Backbone interact. energy: 0.958 local terms energy: -194.189224 where: bonds (distance) C4'-P energy: -44.203 bonds (distance) P-C4' energy: -55.370 flat angles C4'-P-C4' energy: -51.629 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -477.679693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.679693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.679693 (E_RNA) where: Base-Base interactions energy: -266.087 where: short stacking energy: -126.088 Base-Backbone interact. energy: -0.851 local terms energy: -210.742514 where: bonds (distance) C4'-P energy: -39.881 bonds (distance) P-C4' energy: -57.735 flat angles C4'-P-C4' energy: -52.336 flat angles P-C4'-P energy: -36.461 tors. eta vs tors. theta energy: -24.329 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: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -255.027981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.027981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.027981 (E_RNA) where: Base-Base interactions energy: -93.805 where: short stacking energy: -73.625 Base-Backbone interact. energy: 2.154 local terms energy: -163.377188 where: bonds (distance) C4'-P energy: -48.245 bonds (distance) P-C4' energy: -48.615 flat angles C4'-P-C4' energy: -40.261 flat angles P-C4'-P energy: -24.398 tors. eta vs tors. theta energy: -1.858 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: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1096.257613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.257613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.257613 (E_RNA) where: Base-Base interactions energy: -738.923 where: short stacking energy: -323.344 Base-Backbone interact. energy: -0.221 local terms energy: -357.112818 where: bonds (distance) C4'-P energy: -53.988 bonds (distance) P-C4' energy: -71.363 flat angles C4'-P-C4' energy: -73.922 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -105.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1075.388646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.388646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.388646 (E_RNA) where: Base-Base interactions energy: -731.689 where: short stacking energy: -321.567 Base-Backbone interact. energy: 1.275 local terms energy: -344.974432 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -66.305 flat angles C4'-P-C4' energy: -73.811 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: -99.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1014.374446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.374446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.374446 (E_RNA) where: Base-Base interactions energy: -689.603 where: short stacking energy: -285.016 Base-Backbone interact. energy: -0.776 local terms energy: -323.995112 where: bonds (distance) C4'-P energy: -49.349 bonds (distance) P-C4' energy: -63.702 flat angles C4'-P-C4' energy: -62.780 flat angles P-C4'-P energy: -58.054 tors. eta vs tors. theta energy: -90.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -956.997252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.997252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.997252 (E_RNA) where: Base-Base interactions energy: -644.796 where: short stacking energy: -253.195 Base-Backbone interact. energy: -2.895 local terms energy: -309.305951 where: bonds (distance) C4'-P energy: -52.973 bonds (distance) P-C4' energy: -63.786 flat angles C4'-P-C4' energy: -67.220 flat angles P-C4'-P energy: -45.457 tors. eta vs tors. theta energy: -79.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -904.633399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.633399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.633399 (E_RNA) where: Base-Base interactions energy: -611.245 where: short stacking energy: -247.007 Base-Backbone interact. energy: -0.769 local terms energy: -292.619326 where: bonds (distance) C4'-P energy: -51.828 bonds (distance) P-C4' energy: -62.196 flat angles C4'-P-C4' energy: -57.657 flat angles P-C4'-P energy: -42.331 tors. eta vs tors. theta energy: -78.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -773.190239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.190239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.190239 (E_RNA) where: Base-Base interactions energy: -493.907 where: short stacking energy: -232.258 Base-Backbone interact. energy: -0.577 local terms energy: -278.706054 where: bonds (distance) C4'-P energy: -61.916 bonds (distance) P-C4' energy: -57.713 flat angles C4'-P-C4' energy: -61.484 flat angles P-C4'-P energy: -37.701 tors. eta vs tors. theta energy: -59.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -650.942326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.942326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.942326 (E_RNA) where: Base-Base interactions energy: -428.734 where: short stacking energy: -182.347 Base-Backbone interact. energy: -0.769 local terms energy: -221.439800 where: bonds (distance) C4'-P energy: -50.017 bonds (distance) P-C4' energy: -46.802 flat angles C4'-P-C4' energy: -50.022 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: -32.849 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: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -469.725863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.725863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.725863 (E_RNA) where: Base-Base interactions energy: -249.742 where: short stacking energy: -140.058 Base-Backbone interact. energy: 1.271 local terms energy: -221.254776 where: bonds (distance) C4'-P energy: -58.291 bonds (distance) P-C4' energy: -58.111 flat angles C4'-P-C4' energy: -50.543 flat angles P-C4'-P energy: -26.775 tors. eta vs tors. theta energy: -27.534 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: 4 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -471.726299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.726299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.726299 (E_RNA) where: Base-Base interactions energy: -272.902 where: short stacking energy: -115.320 Base-Backbone interact. energy: 1.890 local terms energy: -200.715123 where: bonds (distance) C4'-P energy: -47.543 bonds (distance) P-C4' energy: -55.715 flat angles C4'-P-C4' energy: -51.107 flat angles P-C4'-P energy: -25.719 tors. eta vs tors. theta energy: -20.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -267.736782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.736782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.736782 (E_RNA) where: Base-Base interactions energy: -106.912 where: short stacking energy: -72.920 Base-Backbone interact. energy: -0.095 local terms energy: -160.729373 where: bonds (distance) C4'-P energy: -51.214 bonds (distance) P-C4' energy: -54.410 flat angles C4'-P-C4' energy: -34.345 flat angles P-C4'-P energy: -30.346 tors. eta vs tors. theta energy: 9.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1105.795263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.795263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.795263 (E_RNA) where: Base-Base interactions energy: -753.482 where: short stacking energy: -328.836 Base-Backbone interact. energy: -0.136 local terms energy: -352.176934 where: bonds (distance) C4'-P energy: -65.211 bonds (distance) P-C4' energy: -61.103 flat angles C4'-P-C4' energy: -77.033 flat angles P-C4'-P energy: -44.896 tors. eta vs tors. theta energy: -103.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1059.636575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.636575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.636575 (E_RNA) where: Base-Base interactions energy: -722.317 where: short stacking energy: -304.029 Base-Backbone interact. energy: -3.108 local terms energy: -334.210881 where: bonds (distance) C4'-P energy: -53.814 bonds (distance) P-C4' energy: -68.694 flat angles C4'-P-C4' energy: -70.633 flat angles P-C4'-P energy: -44.698 tors. eta vs tors. theta energy: -96.372 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: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1015.802019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.802019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.802019 (E_RNA) where: Base-Base interactions energy: -686.288 where: short stacking energy: -290.377 Base-Backbone interact. energy: -1.161 local terms energy: -328.353423 where: bonds (distance) C4'-P energy: -60.908 bonds (distance) P-C4' energy: -61.314 flat angles C4'-P-C4' energy: -65.827 flat angles P-C4'-P energy: -47.869 tors. eta vs tors. theta energy: -92.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -943.596361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.596361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.596361 (E_RNA) where: Base-Base interactions energy: -639.696 where: short stacking energy: -268.056 Base-Backbone interact. energy: 1.424 local terms energy: -305.324132 where: bonds (distance) C4'-P energy: -61.641 bonds (distance) P-C4' energy: -59.208 flat angles C4'-P-C4' energy: -62.827 flat angles P-C4'-P energy: -40.867 tors. eta vs tors. theta energy: -80.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -950.587792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.587792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.587792 (E_RNA) where: Base-Base interactions energy: -664.269 where: short stacking energy: -287.645 Base-Backbone interact. energy: -0.490 local terms energy: -285.828325 where: bonds (distance) C4'-P energy: -45.983 bonds (distance) P-C4' energy: -61.541 flat angles C4'-P-C4' energy: -60.892 flat angles P-C4'-P energy: -32.049 tors. eta vs tors. theta energy: -85.363 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: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -764.538875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.538875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.538875 (E_RNA) where: Base-Base interactions energy: -501.892 where: short stacking energy: -236.288 Base-Backbone interact. energy: -1.276 local terms energy: -261.370158 where: bonds (distance) C4'-P energy: -53.399 bonds (distance) P-C4' energy: -51.769 flat angles C4'-P-C4' energy: -58.407 flat angles P-C4'-P energy: -35.739 tors. eta vs tors. theta energy: -62.056 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: 3 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -668.533413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.533413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.533413 (E_RNA) where: Base-Base interactions energy: -421.819 where: short stacking energy: -174.737 Base-Backbone interact. energy: -1.261 local terms energy: -245.453108 where: bonds (distance) C4'-P energy: -52.035 bonds (distance) P-C4' energy: -56.085 flat angles C4'-P-C4' energy: -57.942 flat angles P-C4'-P energy: -33.986 tors. eta vs tors. theta energy: -45.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -485.866784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.866784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.866784 (E_RNA) where: Base-Base interactions energy: -281.647 where: short stacking energy: -148.358 Base-Backbone interact. energy: -1.574 local terms energy: -202.645519 where: bonds (distance) C4'-P energy: -55.031 bonds (distance) P-C4' energy: -57.072 flat angles C4'-P-C4' energy: -48.281 flat angles P-C4'-P energy: -23.446 tors. eta vs tors. theta energy: -18.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -456.338842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.338842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.338842 (E_RNA) where: Base-Base interactions energy: -251.474 where: short stacking energy: -137.895 Base-Backbone interact. energy: 1.473 local terms energy: -206.338272 where: bonds (distance) C4'-P energy: -51.717 bonds (distance) P-C4' energy: -58.683 flat angles C4'-P-C4' energy: -52.149 flat angles P-C4'-P energy: -23.288 tors. eta vs tors. theta energy: -20.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -271.081447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.081447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.081447 (E_RNA) where: Base-Base interactions energy: -107.352 where: short stacking energy: -97.942 Base-Backbone interact. energy: -0.710 local terms energy: -163.020046 where: bonds (distance) C4'-P energy: -50.018 bonds (distance) P-C4' energy: -39.049 flat angles C4'-P-C4' energy: -48.502 flat angles P-C4'-P energy: -15.711 tors. eta vs tors. theta energy: -9.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1092.024984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.024984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.024984 (E_RNA) where: Base-Base interactions energy: -744.649 where: short stacking energy: -304.476 Base-Backbone interact. energy: -1.073 local terms energy: -346.303462 where: bonds (distance) C4'-P energy: -67.395 bonds (distance) P-C4' energy: -73.490 flat angles C4'-P-C4' energy: -68.015 flat angles P-C4'-P energy: -44.219 tors. eta vs tors. theta energy: -93.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1060.212106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.212106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.212106 (E_RNA) where: Base-Base interactions energy: -714.290 where: short stacking energy: -311.225 Base-Backbone interact. energy: -0.918 local terms energy: -345.004176 where: bonds (distance) C4'-P energy: -63.404 bonds (distance) P-C4' energy: -66.845 flat angles C4'-P-C4' energy: -69.725 flat angles P-C4'-P energy: -48.214 tors. eta vs tors. theta energy: -96.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -988.239913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.239913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.239913 (E_RNA) where: Base-Base interactions energy: -659.414 where: short stacking energy: -281.897 Base-Backbone interact. energy: -1.487 local terms energy: -327.338474 where: bonds (distance) C4'-P energy: -49.923 bonds (distance) P-C4' energy: -65.534 flat angles C4'-P-C4' energy: -70.929 flat angles P-C4'-P energy: -44.326 tors. eta vs tors. theta energy: -96.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -952.554957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.554957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.554957 (E_RNA) where: Base-Base interactions energy: -641.184 where: short stacking energy: -292.475 Base-Backbone interact. energy: -1.333 local terms energy: -310.038061 where: bonds (distance) C4'-P energy: -56.884 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -64.136 flat angles P-C4'-P energy: -38.482 tors. eta vs tors. theta energy: -88.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -919.353686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.353686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.353686 (E_RNA) where: Base-Base interactions energy: -618.294 where: short stacking energy: -264.222 Base-Backbone interact. energy: -0.831 local terms energy: -300.228954 where: bonds (distance) C4'-P energy: -53.496 bonds (distance) P-C4' energy: -63.079 flat angles C4'-P-C4' energy: -65.283 flat angles P-C4'-P energy: -38.280 tors. eta vs tors. theta energy: -80.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -739.187697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.187697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.187697 (E_RNA) where: Base-Base interactions energy: -465.632 where: short stacking energy: -210.762 Base-Backbone interact. energy: -0.552 local terms energy: -273.003760 where: bonds (distance) C4'-P energy: -49.403 bonds (distance) P-C4' energy: -55.878 flat angles C4'-P-C4' energy: -59.285 flat angles P-C4'-P energy: -38.463 tors. eta vs tors. theta energy: -69.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -668.100101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.100101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.100101 (E_RNA) where: Base-Base interactions energy: -411.076 where: short stacking energy: -196.453 Base-Backbone interact. energy: -0.122 local terms energy: -256.902055 where: bonds (distance) C4'-P energy: -58.134 bonds (distance) P-C4' energy: -60.364 flat angles C4'-P-C4' energy: -54.549 flat angles P-C4'-P energy: -33.379 tors. eta vs tors. theta energy: -50.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -484.918809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.918809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.918809 (E_RNA) where: Base-Base interactions energy: -286.479 where: short stacking energy: -111.990 Base-Backbone interact. energy: -1.741 local terms energy: -196.699219 where: bonds (distance) C4'-P energy: -50.579 bonds (distance) P-C4' energy: -55.085 flat angles C4'-P-C4' energy: -59.024 flat angles P-C4'-P energy: -21.021 tors. eta vs tors. theta energy: -10.991 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: 6 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -460.116433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.116433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.116433 (E_RNA) where: Base-Base interactions energy: -275.118 where: short stacking energy: -146.090 Base-Backbone interact. energy: 4.762 local terms energy: -189.760309 where: bonds (distance) C4'-P energy: -50.802 bonds (distance) P-C4' energy: -60.275 flat angles C4'-P-C4' energy: -41.177 flat angles P-C4'-P energy: -26.177 tors. eta vs tors. theta energy: -11.329 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: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -268.697322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.697322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.697322 (E_RNA) where: Base-Base interactions energy: -81.713 where: short stacking energy: -56.923 Base-Backbone interact. energy: -0.462 local terms energy: -186.522263 where: bonds (distance) C4'-P energy: -50.420 bonds (distance) P-C4' energy: -65.492 flat angles C4'-P-C4' energy: -52.020 flat angles P-C4'-P energy: -28.966 tors. eta vs tors. theta energy: 10.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1107.903785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.903785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.903785 (E_RNA) where: Base-Base interactions energy: -752.800 where: short stacking energy: -316.415 Base-Backbone interact. energy: -2.920 local terms energy: -352.183500 where: bonds (distance) C4'-P energy: -62.908 bonds (distance) P-C4' energy: -60.604 flat angles C4'-P-C4' energy: -72.914 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -103.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1051.326323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.326323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.326323 (E_RNA) where: Base-Base interactions energy: -717.577 where: short stacking energy: -313.920 Base-Backbone interact. energy: 0.452 local terms energy: -334.201870 where: bonds (distance) C4'-P energy: -63.491 bonds (distance) P-C4' energy: -60.336 flat angles C4'-P-C4' energy: -64.376 flat angles P-C4'-P energy: -47.664 tors. eta vs tors. theta energy: -98.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1006.324720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.324720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.324720 (E_RNA) where: Base-Base interactions energy: -670.035 where: short stacking energy: -285.705 Base-Backbone interact. energy: 1.427 local terms energy: -337.716340 where: bonds (distance) C4'-P energy: -59.397 bonds (distance) P-C4' energy: -71.789 flat angles C4'-P-C4' energy: -71.110 flat angles P-C4'-P energy: -51.227 tors. eta vs tors. theta energy: -84.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -956.370073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.370073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.370073 (E_RNA) where: Base-Base interactions energy: -667.385 where: short stacking energy: -286.720 Base-Backbone interact. energy: -1.927 local terms energy: -287.058448 where: bonds (distance) C4'-P energy: -43.118 bonds (distance) P-C4' energy: -52.284 flat angles C4'-P-C4' energy: -67.072 flat angles P-C4'-P energy: -37.912 tors. eta vs tors. theta energy: -86.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -905.298128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.298128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.298128 (E_RNA) where: Base-Base interactions energy: -604.366 where: short stacking energy: -248.647 Base-Backbone interact. energy: 2.276 local terms energy: -303.207886 where: bonds (distance) C4'-P energy: -55.988 bonds (distance) P-C4' energy: -65.813 flat angles C4'-P-C4' energy: -64.617 flat angles P-C4'-P energy: -40.702 tors. eta vs tors. theta energy: -76.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -769.164410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.164410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.164410 (E_RNA) where: Base-Base interactions energy: -502.826 where: short stacking energy: -232.032 Base-Backbone interact. energy: -0.987 local terms energy: -265.352124 where: bonds (distance) C4'-P energy: -57.343 bonds (distance) P-C4' energy: -44.578 flat angles C4'-P-C4' energy: -56.387 flat angles P-C4'-P energy: -42.456 tors. eta vs tors. theta energy: -64.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -693.151871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.151871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.151871 (E_RNA) where: Base-Base interactions energy: -429.908 where: short stacking energy: -194.448 Base-Backbone interact. energy: -0.308 local terms energy: -262.936061 where: bonds (distance) C4'-P energy: -58.975 bonds (distance) P-C4' energy: -58.967 flat angles C4'-P-C4' energy: -65.040 flat angles P-C4'-P energy: -36.150 tors. eta vs tors. theta energy: -43.804 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: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -531.624123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.624123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.624123 (E_RNA) where: Base-Base interactions energy: -314.288 where: short stacking energy: -156.945 Base-Backbone interact. energy: 1.877 local terms energy: -219.213655 where: bonds (distance) C4'-P energy: -51.355 bonds (distance) P-C4' energy: -42.171 flat angles C4'-P-C4' energy: -63.142 flat angles P-C4'-P energy: -27.127 tors. eta vs tors. theta energy: -35.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -471.304723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.304723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.304723 (E_RNA) where: Base-Base interactions energy: -281.477 where: short stacking energy: -138.181 Base-Backbone interact. energy: 1.534 local terms energy: -191.361824 where: bonds (distance) C4'-P energy: -46.046 bonds (distance) P-C4' energy: -55.009 flat angles C4'-P-C4' energy: -47.790 flat angles P-C4'-P energy: -26.593 tors. eta vs tors. theta energy: -15.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -250.682417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.682417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.682417 (E_RNA) where: Base-Base interactions energy: -73.908 where: short stacking energy: -69.686 Base-Backbone interact. energy: -2.534 local terms energy: -174.240194 where: bonds (distance) C4'-P energy: -57.341 bonds (distance) P-C4' energy: -55.908 flat angles C4'-P-C4' energy: -51.659 flat angles P-C4'-P energy: -22.267 tors. eta vs tors. theta energy: 12.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1084.712769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.712769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.712769 (E_RNA) where: Base-Base interactions energy: -727.301 where: short stacking energy: -297.451 Base-Backbone interact. energy: -0.695 local terms energy: -356.717035 where: bonds (distance) C4'-P energy: -66.779 bonds (distance) P-C4' energy: -65.999 flat angles C4'-P-C4' energy: -77.343 flat angles P-C4'-P energy: -53.292 tors. eta vs tors. theta energy: -93.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1061.486550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.486550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.486550 (E_RNA) where: Base-Base interactions energy: -711.349 where: short stacking energy: -309.315 Base-Backbone interact. energy: -0.481 local terms energy: -349.656397 where: bonds (distance) C4'-P energy: -62.372 bonds (distance) P-C4' energy: -55.305 flat angles C4'-P-C4' energy: -71.192 flat angles P-C4'-P energy: -54.349 tors. eta vs tors. theta energy: -106.439 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: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -983.874759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.874759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.874759 (E_RNA) where: Base-Base interactions energy: -648.469 where: short stacking energy: -270.061 Base-Backbone interact. energy: -1.310 local terms energy: -334.095234 where: bonds (distance) C4'-P energy: -55.657 bonds (distance) P-C4' energy: -74.569 flat angles C4'-P-C4' energy: -66.613 flat angles P-C4'-P energy: -44.357 tors. eta vs tors. theta energy: -92.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -977.036742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.036742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.036742 (E_RNA) where: Base-Base interactions energy: -650.880 where: short stacking energy: -285.830 Base-Backbone interact. energy: 0.510 local terms energy: -326.667155 where: bonds (distance) C4'-P energy: -58.370 bonds (distance) P-C4' energy: -67.451 flat angles C4'-P-C4' energy: -62.676 flat angles P-C4'-P energy: -50.155 tors. eta vs tors. theta energy: -88.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -970.364962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.364962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.364962 (E_RNA) where: Base-Base interactions energy: -660.731 where: short stacking energy: -291.207 Base-Backbone interact. energy: -0.851 local terms energy: -308.783635 where: bonds (distance) C4'-P energy: -56.228 bonds (distance) P-C4' energy: -52.919 flat angles C4'-P-C4' energy: -59.518 flat angles P-C4'-P energy: -52.602 tors. eta vs tors. theta energy: -87.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -730.739677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.739677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.739677 (E_RNA) where: Base-Base interactions energy: -464.812 where: short stacking energy: -203.557 Base-Backbone interact. energy: 3.331 local terms energy: -269.258612 where: bonds (distance) C4'-P energy: -58.741 bonds (distance) P-C4' energy: -63.336 flat angles C4'-P-C4' energy: -50.961 flat angles P-C4'-P energy: -38.334 tors. eta vs tors. theta energy: -57.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -710.521216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.521216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.521216 (E_RNA) where: Base-Base interactions energy: -449.345 where: short stacking energy: -189.428 Base-Backbone interact. energy: -1.031 local terms energy: -260.144833 where: bonds (distance) C4'-P energy: -57.261 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -61.602 flat angles P-C4'-P energy: -37.006 tors. eta vs tors. theta energy: -40.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -504.062064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.062064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.062064 (E_RNA) where: Base-Base interactions energy: -278.615 where: short stacking energy: -152.504 Base-Backbone interact. energy: -1.823 local terms energy: -223.624217 where: bonds (distance) C4'-P energy: -49.877 bonds (distance) P-C4' energy: -49.200 flat angles C4'-P-C4' energy: -60.266 flat angles P-C4'-P energy: -33.109 tors. eta vs tors. theta energy: -31.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -468.326773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.326773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.326773 (E_RNA) where: Base-Base interactions energy: -268.292 where: short stacking energy: -133.462 Base-Backbone interact. energy: -0.992 local terms energy: -199.042888 where: bonds (distance) C4'-P energy: -46.544 bonds (distance) P-C4' energy: -51.307 flat angles C4'-P-C4' energy: -56.974 flat angles P-C4'-P energy: -30.200 tors. eta vs tors. theta energy: -14.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -255.412883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.412883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.412883 (E_RNA) where: Base-Base interactions energy: -61.007 where: short stacking energy: -49.385 Base-Backbone interact. energy: -0.502 local terms energy: -193.903814 where: bonds (distance) C4'-P energy: -64.930 bonds (distance) P-C4' energy: -52.679 flat angles C4'-P-C4' energy: -55.630 flat angles P-C4'-P energy: -31.414 tors. eta vs tors. theta energy: 10.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1088.845676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.845676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.845676 (E_RNA) where: Base-Base interactions energy: -718.810 where: short stacking energy: -300.553 Base-Backbone interact. energy: -0.801 local terms energy: -369.234710 where: bonds (distance) C4'-P energy: -72.811 bonds (distance) P-C4' energy: -71.563 flat angles C4'-P-C4' energy: -76.269 flat angles P-C4'-P energy: -45.831 tors. eta vs tors. theta energy: -102.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1019.015334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.015334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.015334 (E_RNA) where: Base-Base interactions energy: -686.933 where: short stacking energy: -296.959 Base-Backbone interact. energy: -0.682 local terms energy: -331.400003 where: bonds (distance) C4'-P energy: -67.762 bonds (distance) P-C4' energy: -56.818 flat angles C4'-P-C4' energy: -69.916 flat angles P-C4'-P energy: -39.312 tors. eta vs tors. theta energy: -97.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1014.185236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.185236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.185236 (E_RNA) where: Base-Base interactions energy: -697.805 where: short stacking energy: -304.927 Base-Backbone interact. energy: -0.870 local terms energy: -315.509708 where: bonds (distance) C4'-P energy: -52.983 bonds (distance) P-C4' energy: -52.620 flat angles C4'-P-C4' energy: -70.906 flat angles P-C4'-P energy: -49.672 tors. eta vs tors. theta energy: -89.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -972.970639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.970639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.970639 (E_RNA) where: Base-Base interactions energy: -633.299 where: short stacking energy: -279.777 Base-Backbone interact. energy: -2.203 local terms energy: -337.468349 where: bonds (distance) C4'-P energy: -63.992 bonds (distance) P-C4' energy: -70.117 flat angles C4'-P-C4' energy: -68.810 flat angles P-C4'-P energy: -41.179 tors. eta vs tors. theta energy: -93.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -935.651316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.651316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.651316 (E_RNA) where: Base-Base interactions energy: -622.129 where: short stacking energy: -275.960 Base-Backbone interact. energy: -2.277 local terms energy: -311.244998 where: bonds (distance) C4'-P energy: -55.025 bonds (distance) P-C4' energy: -63.390 flat angles C4'-P-C4' energy: -68.894 flat angles P-C4'-P energy: -44.029 tors. eta vs tors. theta energy: -79.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -745.779199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.779199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.779199 (E_RNA) where: Base-Base interactions energy: -489.211 where: short stacking energy: -216.003 Base-Backbone interact. energy: -0.627 local terms energy: -255.940709 where: bonds (distance) C4'-P energy: -54.269 bonds (distance) P-C4' energy: -50.508 flat angles C4'-P-C4' energy: -60.050 flat angles P-C4'-P energy: -32.467 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: 7, replica: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -705.920763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.920763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.920763 (E_RNA) where: Base-Base interactions energy: -462.860 where: short stacking energy: -207.018 Base-Backbone interact. energy: -2.369 local terms energy: -240.691698 where: bonds (distance) C4'-P energy: -46.004 bonds (distance) P-C4' energy: -60.658 flat angles C4'-P-C4' energy: -52.901 flat angles P-C4'-P energy: -35.812 tors. eta vs tors. theta energy: -45.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -509.193918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.193918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.193918 (E_RNA) where: Base-Base interactions energy: -296.424 where: short stacking energy: -133.194 Base-Backbone interact. energy: 1.453 local terms energy: -214.223168 where: bonds (distance) C4'-P energy: -42.525 bonds (distance) P-C4' energy: -57.137 flat angles C4'-P-C4' energy: -62.283 flat angles P-C4'-P energy: -27.013 tors. eta vs tors. theta energy: -25.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -459.938097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.938097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.938097 (E_RNA) where: Base-Base interactions energy: -238.220 where: short stacking energy: -114.234 Base-Backbone interact. energy: -2.855 local terms energy: -218.863471 where: bonds (distance) C4'-P energy: -52.206 bonds (distance) P-C4' energy: -64.841 flat angles C4'-P-C4' energy: -62.346 flat angles P-C4'-P energy: -31.703 tors. eta vs tors. theta energy: -7.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -248.317441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.317441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.317441 (E_RNA) where: Base-Base interactions energy: -64.944 where: short stacking energy: -50.958 Base-Backbone interact. energy: -1.162 local terms energy: -182.210850 where: bonds (distance) C4'-P energy: -60.247 bonds (distance) P-C4' energy: -52.533 flat angles C4'-P-C4' energy: -53.022 flat angles P-C4'-P energy: -20.183 tors. eta vs tors. theta energy: 3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1075.191367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.191367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.191367 (E_RNA) where: Base-Base interactions energy: -720.120 where: short stacking energy: -324.938 Base-Backbone interact. energy: -1.223 local terms energy: -353.847827 where: bonds (distance) C4'-P energy: -55.257 bonds (distance) P-C4' energy: -64.815 flat angles C4'-P-C4' energy: -79.573 flat angles P-C4'-P energy: -49.855 tors. eta vs tors. theta energy: -104.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1081.726256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.726256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.726256 (E_RNA) where: Base-Base interactions energy: -744.857 where: short stacking energy: -324.171 Base-Backbone interact. energy: -0.551 local terms energy: -336.318271 where: bonds (distance) C4'-P energy: -52.024 bonds (distance) P-C4' energy: -65.602 flat angles C4'-P-C4' energy: -72.685 flat angles P-C4'-P energy: -51.647 tors. eta vs tors. theta energy: -94.360 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: 3, replica: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1026.114941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.114941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.114941 (E_RNA) where: Base-Base interactions energy: -696.000 where: short stacking energy: -292.646 Base-Backbone interact. energy: -0.344 local terms energy: -329.770718 where: bonds (distance) C4'-P energy: -47.164 bonds (distance) P-C4' energy: -63.888 flat angles C4'-P-C4' energy: -76.692 flat angles P-C4'-P energy: -48.216 tors. eta vs tors. theta energy: -93.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -949.859480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.859480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.859480 (E_RNA) where: Base-Base interactions energy: -635.144 where: short stacking energy: -270.320 Base-Backbone interact. energy: -1.495 local terms energy: -313.220907 where: bonds (distance) C4'-P energy: -66.061 bonds (distance) P-C4' energy: -57.422 flat angles C4'-P-C4' energy: -70.735 flat angles P-C4'-P energy: -29.706 tors. eta vs tors. theta energy: -89.297 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: 428 Temperature: 1.100000 Total energy: -918.997704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.997704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.997704 (E_RNA) where: Base-Base interactions energy: -639.961 where: short stacking energy: -271.138 Base-Backbone interact. energy: -0.951 local terms energy: -278.085099 where: bonds (distance) C4'-P energy: -51.187 bonds (distance) P-C4' energy: -44.296 flat angles C4'-P-C4' energy: -57.919 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: -75.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -714.156861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.156861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.156861 (E_RNA) where: Base-Base interactions energy: -471.889 where: short stacking energy: -191.925 Base-Backbone interact. energy: -0.058 local terms energy: -242.209788 where: bonds (distance) C4'-P energy: -53.022 bonds (distance) P-C4' energy: -53.586 flat angles C4'-P-C4' energy: -56.222 flat angles P-C4'-P energy: -27.117 tors. eta vs tors. theta energy: -52.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -675.483925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.483925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.483925 (E_RNA) where: Base-Base interactions energy: -442.499 where: short stacking energy: -191.737 Base-Backbone interact. energy: -1.617 local terms energy: -231.368127 where: bonds (distance) C4'-P energy: -41.661 bonds (distance) P-C4' energy: -50.212 flat angles C4'-P-C4' energy: -58.488 flat angles P-C4'-P energy: -42.434 tors. eta vs tors. theta energy: -38.574 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: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -498.143868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.143868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.143868 (E_RNA) where: Base-Base interactions energy: -272.956 where: short stacking energy: -137.002 Base-Backbone interact. energy: -1.963 local terms energy: -223.225589 where: bonds (distance) C4'-P energy: -54.884 bonds (distance) P-C4' energy: -53.578 flat angles C4'-P-C4' energy: -48.159 flat angles P-C4'-P energy: -38.463 tors. eta vs tors. theta energy: -28.142 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: 9, replica: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -459.577936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.577936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.577936 (E_RNA) where: Base-Base interactions energy: -263.332 where: short stacking energy: -143.377 Base-Backbone interact. energy: -1.231 local terms energy: -195.014581 where: bonds (distance) C4'-P energy: -53.569 bonds (distance) P-C4' energy: -47.559 flat angles C4'-P-C4' energy: -55.921 flat angles P-C4'-P energy: -21.138 tors. eta vs tors. theta energy: -16.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -262.942694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.942694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.942694 (E_RNA) where: Base-Base interactions energy: -95.916 where: short stacking energy: -76.377 Base-Backbone interact. energy: 3.052 local terms energy: -170.078418 where: bonds (distance) C4'-P energy: -48.455 bonds (distance) P-C4' energy: -53.348 flat angles C4'-P-C4' energy: -53.498 flat angles P-C4'-P energy: -21.107 tors. eta vs tors. theta energy: 6.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1072.303913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.303913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.303913 (E_RNA) where: Base-Base interactions energy: -706.644 where: short stacking energy: -323.673 Base-Backbone interact. energy: -0.190 local terms energy: -365.470513 where: bonds (distance) C4'-P energy: -70.981 bonds (distance) P-C4' energy: -61.849 flat angles C4'-P-C4' energy: -72.851 flat angles P-C4'-P energy: -57.003 tors. eta vs tors. theta energy: -102.787 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: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1078.393173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.393173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.393173 (E_RNA) where: Base-Base interactions energy: -746.055 where: short stacking energy: -316.782 Base-Backbone interact. energy: -0.334 local terms energy: -332.004037 where: bonds (distance) C4'-P energy: -55.878 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -73.671 flat angles P-C4'-P energy: -47.733 tors. eta vs tors. theta energy: -94.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -992.526681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.526681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.526681 (E_RNA) where: Base-Base interactions energy: -674.730 where: short stacking energy: -290.928 Base-Backbone interact. energy: -0.309 local terms energy: -317.487108 where: bonds (distance) C4'-P energy: -64.290 bonds (distance) P-C4' energy: -48.517 flat angles C4'-P-C4' energy: -65.053 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: -92.087 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: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -948.699788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.699788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.699788 (E_RNA) where: Base-Base interactions energy: -622.890 where: short stacking energy: -281.468 Base-Backbone interact. energy: -1.570 local terms energy: -324.239601 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -60.229 flat angles C4'-P-C4' energy: -66.578 flat angles P-C4'-P energy: -41.535 tors. eta vs tors. theta energy: -89.100 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: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -920.281793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.281793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.281793 (E_RNA) where: Base-Base interactions energy: -612.780 where: short stacking energy: -269.119 Base-Backbone interact. energy: -0.871 local terms energy: -306.631082 where: bonds (distance) C4'-P energy: -53.856 bonds (distance) P-C4' energy: -56.876 flat angles C4'-P-C4' energy: -58.380 flat angles P-C4'-P energy: -47.096 tors. eta vs tors. theta energy: -90.423 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: 6, replica: 3 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -633.573132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.573132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.573132 (E_RNA) where: Base-Base interactions energy: -367.056 where: short stacking energy: -180.732 Base-Backbone interact. energy: 0.376 local terms energy: -266.893385 where: bonds (distance) C4'-P energy: -62.201 bonds (distance) P-C4' energy: -57.673 flat angles C4'-P-C4' energy: -57.451 flat angles P-C4'-P energy: -44.497 tors. eta vs tors. theta energy: -45.072 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: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -678.577636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.577636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.577636 (E_RNA) where: Base-Base interactions energy: -430.310 where: short stacking energy: -203.723 Base-Backbone interact. energy: 1.568 local terms energy: -249.835662 where: bonds (distance) C4'-P energy: -46.336 bonds (distance) P-C4' energy: -44.827 flat angles C4'-P-C4' energy: -62.377 flat angles P-C4'-P energy: -39.416 tors. eta vs tors. theta energy: -56.880 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: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -503.502890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.502890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.502890 (E_RNA) where: Base-Base interactions energy: -300.720 where: short stacking energy: -153.067 Base-Backbone interact. energy: -1.125 local terms energy: -201.657992 where: bonds (distance) C4'-P energy: -49.794 bonds (distance) P-C4' energy: -58.982 flat angles C4'-P-C4' energy: -49.766 flat angles P-C4'-P energy: -30.947 tors. eta vs tors. theta energy: -12.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -493.213080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.213080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.213080 (E_RNA) where: Base-Base interactions energy: -284.464 where: short stacking energy: -135.083 Base-Backbone interact. energy: -1.362 local terms energy: -207.386562 where: bonds (distance) C4'-P energy: -55.357 bonds (distance) P-C4' energy: -55.638 flat angles C4'-P-C4' energy: -49.748 flat angles P-C4'-P energy: -17.740 tors. eta vs tors. theta energy: -28.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -281.188050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.188050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.188050 (E_RNA) where: Base-Base interactions energy: -124.159 where: short stacking energy: -87.700 Base-Backbone interact. energy: 1.826 local terms energy: -158.854321 where: bonds (distance) C4'-P energy: -49.307 bonds (distance) P-C4' energy: -44.103 flat angles C4'-P-C4' energy: -37.578 flat angles P-C4'-P energy: -20.239 tors. eta vs tors. theta energy: -7.628 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: 1, replica: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1071.489285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.489285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.489285 (E_RNA) where: Base-Base interactions energy: -733.007 where: short stacking energy: -304.687 Base-Backbone interact. energy: -0.819 local terms energy: -337.663368 where: bonds (distance) C4'-P energy: -61.767 bonds (distance) P-C4' energy: -56.020 flat angles C4'-P-C4' energy: -71.726 flat angles P-C4'-P energy: -52.445 tors. eta vs tors. theta energy: -95.705 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: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1072.469555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.469555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.469555 (E_RNA) where: Base-Base interactions energy: -743.872 where: short stacking energy: -307.828 Base-Backbone interact. energy: 1.103 local terms energy: -329.700384 where: bonds (distance) C4'-P energy: -61.509 bonds (distance) P-C4' energy: -55.870 flat angles C4'-P-C4' energy: -68.612 flat angles P-C4'-P energy: -44.111 tors. eta vs tors. theta energy: -99.599 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: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -994.342727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.342727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.342727 (E_RNA) where: Base-Base interactions energy: -662.601 where: short stacking energy: -269.984 Base-Backbone interact. energy: -1.361 local terms energy: -330.380356 where: bonds (distance) C4'-P energy: -54.538 bonds (distance) P-C4' energy: -66.665 flat angles C4'-P-C4' energy: -64.778 flat angles P-C4'-P energy: -50.157 tors. eta vs tors. theta energy: -94.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -942.387698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.387698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.387698 (E_RNA) where: Base-Base interactions energy: -632.151 where: short stacking energy: -277.558 Base-Backbone interact. energy: -0.240 local terms energy: -309.996894 where: bonds (distance) C4'-P energy: -65.598 bonds (distance) P-C4' energy: -52.294 flat angles C4'-P-C4' energy: -73.821 flat angles P-C4'-P energy: -34.820 tors. eta vs tors. theta energy: -83.463 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: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -939.996409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.996409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.996409 (E_RNA) where: Base-Base interactions energy: -625.053 where: short stacking energy: -268.186 Base-Backbone interact. energy: 0.513 local terms energy: -315.456286 where: bonds (distance) C4'-P energy: -52.119 bonds (distance) P-C4' energy: -57.654 flat angles C4'-P-C4' energy: -67.769 flat angles P-C4'-P energy: -52.390 tors. eta vs tors. theta energy: -85.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -657.208930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.208930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.208930 (E_RNA) where: Base-Base interactions energy: -409.191 where: short stacking energy: -178.291 Base-Backbone interact. energy: 0.535 local terms energy: -248.553010 where: bonds (distance) C4'-P energy: -58.010 bonds (distance) P-C4' energy: -55.055 flat angles C4'-P-C4' energy: -49.241 flat angles P-C4'-P energy: -37.111 tors. eta vs tors. theta energy: -49.136 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: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -705.356702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.356702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.356702 (E_RNA) where: Base-Base interactions energy: -444.446 where: short stacking energy: -202.111 Base-Backbone interact. energy: -0.498 local terms energy: -260.412287 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -55.827 flat angles C4'-P-C4' energy: -60.720 flat angles P-C4'-P energy: -36.137 tors. eta vs tors. theta energy: -51.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -502.645800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.645800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.645800 (E_RNA) where: Base-Base interactions energy: -288.754 where: short stacking energy: -129.522 Base-Backbone interact. energy: 0.314 local terms energy: -214.205622 where: bonds (distance) C4'-P energy: -58.772 bonds (distance) P-C4' energy: -52.953 flat angles C4'-P-C4' energy: -44.874 flat angles P-C4'-P energy: -40.140 tors. eta vs tors. theta energy: -17.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -460.764756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.764756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.764756 (E_RNA) where: Base-Base interactions energy: -250.828 where: short stacking energy: -137.973 Base-Backbone interact. energy: -2.253 local terms energy: -207.683783 where: bonds (distance) C4'-P energy: -55.591 bonds (distance) P-C4' energy: -47.065 flat angles C4'-P-C4' energy: -44.105 flat angles P-C4'-P energy: -39.086 tors. eta vs tors. theta energy: -21.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -262.569324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.569324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.569324 (E_RNA) where: Base-Base interactions energy: -93.254 where: short stacking energy: -72.796 Base-Backbone interact. energy: -1.415 local terms energy: -167.899663 where: bonds (distance) C4'-P energy: -40.594 bonds (distance) P-C4' energy: -61.882 flat angles C4'-P-C4' energy: -41.205 flat angles P-C4'-P energy: -28.575 tors. eta vs tors. theta energy: 4.357 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: 1, replica: 7 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1077.718337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.718337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.718337 (E_RNA) where: Base-Base interactions energy: -722.684 where: short stacking energy: -311.561 Base-Backbone interact. energy: -0.549 local terms energy: -354.484985 where: bonds (distance) C4'-P energy: -59.540 bonds (distance) P-C4' energy: -69.178 flat angles C4'-P-C4' energy: -73.458 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -98.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1069.305147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.305147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.305147 (E_RNA) where: Base-Base interactions energy: -737.394 where: short stacking energy: -316.207 Base-Backbone interact. energy: -0.636 local terms energy: -331.274955 where: bonds (distance) C4'-P energy: -45.737 bonds (distance) P-C4' energy: -60.532 flat angles C4'-P-C4' energy: -79.091 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -96.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -996.744070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.744070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.744070 (E_RNA) where: Base-Base interactions energy: -667.864 where: short stacking energy: -291.291 Base-Backbone interact. energy: -0.155 local terms energy: -328.724682 where: bonds (distance) C4'-P energy: -52.951 bonds (distance) P-C4' energy: -62.560 flat angles C4'-P-C4' energy: -67.576 flat angles P-C4'-P energy: -47.253 tors. eta vs tors. theta energy: -98.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -987.670073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.670073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.670073 (E_RNA) where: Base-Base interactions energy: -656.252 where: short stacking energy: -294.945 Base-Backbone interact. energy: -1.335 local terms energy: -330.082747 where: bonds (distance) C4'-P energy: -54.492 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -66.462 flat angles P-C4'-P energy: -42.542 tors. eta vs tors. theta energy: -100.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -925.905140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.905140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.905140 (E_RNA) where: Base-Base interactions energy: -632.181 where: short stacking energy: -266.736 Base-Backbone interact. energy: -0.169 local terms energy: -293.555031 where: bonds (distance) C4'-P energy: -65.170 bonds (distance) P-C4' energy: -55.493 flat angles C4'-P-C4' energy: -59.987 flat angles P-C4'-P energy: -34.709 tors. eta vs tors. theta energy: -78.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -706.926300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.926300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.926300 (E_RNA) where: Base-Base interactions energy: -463.668 where: short stacking energy: -207.025 Base-Backbone interact. energy: -1.538 local terms energy: -241.720177 where: bonds (distance) C4'-P energy: -50.152 bonds (distance) P-C4' energy: -56.739 flat angles C4'-P-C4' energy: -44.766 flat angles P-C4'-P energy: -39.086 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: 3 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -624.404720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.404720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.404720 (E_RNA) where: Base-Base interactions energy: -384.729 where: short stacking energy: -174.052 Base-Backbone interact. energy: -1.092 local terms energy: -238.583914 where: bonds (distance) C4'-P energy: -49.195 bonds (distance) P-C4' energy: -57.446 flat angles C4'-P-C4' energy: -55.067 flat angles P-C4'-P energy: -36.137 tors. eta vs tors. theta energy: -40.738 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: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -466.215380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.215380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.215380 (E_RNA) where: Base-Base interactions energy: -263.579 where: short stacking energy: -146.288 Base-Backbone interact. energy: -0.047 local terms energy: -202.588968 where: bonds (distance) C4'-P energy: -41.389 bonds (distance) P-C4' energy: -53.344 flat angles C4'-P-C4' energy: -57.983 flat angles P-C4'-P energy: -28.907 tors. eta vs tors. theta energy: -20.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -474.328133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.328133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.328133 (E_RNA) where: Base-Base interactions energy: -265.422 where: short stacking energy: -130.323 Base-Backbone interact. energy: 1.130 local terms energy: -210.035588 where: bonds (distance) C4'-P energy: -61.872 bonds (distance) P-C4' energy: -49.301 flat angles C4'-P-C4' energy: -50.848 flat angles P-C4'-P energy: -20.134 tors. eta vs tors. theta energy: -27.881 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: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -244.416026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.416026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.416026 (E_RNA) where: Base-Base interactions energy: -85.533 where: short stacking energy: -63.031 Base-Backbone interact. energy: -0.568 local terms energy: -158.314426 where: bonds (distance) C4'-P energy: -51.205 bonds (distance) P-C4' energy: -61.632 flat angles C4'-P-C4' energy: -44.438 flat angles P-C4'-P energy: -16.432 tors. eta vs tors. theta energy: 15.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1061.982931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.982931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.982931 (E_RNA) where: Base-Base interactions energy: -720.800 where: short stacking energy: -299.587 Base-Backbone interact. energy: -0.759 local terms energy: -340.423873 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -66.795 flat angles C4'-P-C4' energy: -65.743 flat angles P-C4'-P energy: -48.084 tors. eta vs tors. theta energy: -100.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1073.446004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.446004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.446004 (E_RNA) where: Base-Base interactions energy: -718.187 where: short stacking energy: -307.744 Base-Backbone interact. energy: -0.584 local terms energy: -354.674310 where: bonds (distance) C4'-P energy: -61.707 bonds (distance) P-C4' energy: -62.071 flat angles C4'-P-C4' energy: -78.133 flat angles P-C4'-P energy: -54.876 tors. eta vs tors. theta energy: -97.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1013.411641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.411641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.411641 (E_RNA) where: Base-Base interactions energy: -683.403 where: short stacking energy: -286.712 Base-Backbone interact. energy: -0.891 local terms energy: -329.117246 where: bonds (distance) C4'-P energy: -58.987 bonds (distance) P-C4' energy: -61.782 flat angles C4'-P-C4' energy: -75.060 flat angles P-C4'-P energy: -43.461 tors. eta vs tors. theta energy: -89.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -974.899282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.899282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.899282 (E_RNA) where: Base-Base interactions energy: -658.467 where: short stacking energy: -289.833 Base-Backbone interact. energy: -1.299 local terms energy: -315.133196 where: bonds (distance) C4'-P energy: -57.422 bonds (distance) P-C4' energy: -68.718 flat angles C4'-P-C4' energy: -57.351 flat angles P-C4'-P energy: -37.049 tors. eta vs tors. theta energy: -94.593 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: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -930.238356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.238356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.238356 (E_RNA) where: Base-Base interactions energy: -646.043 where: short stacking energy: -281.264 Base-Backbone interact. energy: -2.224 local terms energy: -281.971312 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -48.740 flat angles C4'-P-C4' energy: -63.329 flat angles P-C4'-P energy: -36.371 tors. eta vs tors. theta energy: -79.389 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: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -726.236752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.236752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.236752 (E_RNA) where: Base-Base interactions energy: -443.092 where: short stacking energy: -208.351 Base-Backbone interact. energy: -2.294 local terms energy: -280.851078 where: bonds (distance) C4'-P energy: -66.031 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -59.954 flat angles P-C4'-P energy: -31.645 tors. eta vs tors. theta energy: -62.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -645.456368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.456368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.456368 (E_RNA) where: Base-Base interactions energy: -397.222 where: short stacking energy: -196.366 Base-Backbone interact. energy: 2.761 local terms energy: -250.994952 where: bonds (distance) C4'-P energy: -56.773 bonds (distance) P-C4' energy: -57.501 flat angles C4'-P-C4' energy: -52.342 flat angles P-C4'-P energy: -39.754 tors. eta vs tors. theta energy: -44.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -475.573482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.573482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.573482 (E_RNA) where: Base-Base interactions energy: -265.474 where: short stacking energy: -147.499 Base-Backbone interact. energy: 3.257 local terms energy: -213.356189 where: bonds (distance) C4'-P energy: -49.225 bonds (distance) P-C4' energy: -55.839 flat angles C4'-P-C4' energy: -53.806 flat angles P-C4'-P energy: -26.578 tors. eta vs tors. theta energy: -27.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -456.560718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.560718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.560718 (E_RNA) where: Base-Base interactions energy: -248.084 where: short stacking energy: -132.432 Base-Backbone interact. energy: 0.545 local terms energy: -209.022102 where: bonds (distance) C4'-P energy: -55.777 bonds (distance) P-C4' energy: -54.593 flat angles C4'-P-C4' energy: -52.373 flat angles P-C4'-P energy: -34.602 tors. eta vs tors. theta energy: -11.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -266.132180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.132180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.132180 (E_RNA) where: Base-Base interactions energy: -75.309 where: short stacking energy: -68.148 Base-Backbone interact. energy: -0.872 local terms energy: -189.950826 where: bonds (distance) C4'-P energy: -52.013 bonds (distance) P-C4' energy: -54.586 flat angles C4'-P-C4' energy: -50.865 flat angles P-C4'-P energy: -33.905 tors. eta vs tors. theta energy: 1.419 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: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1081.356866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.356866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.356866 (E_RNA) where: Base-Base interactions energy: -723.010 where: short stacking energy: -317.988 Base-Backbone interact. energy: -0.894 local terms energy: -357.453246 where: bonds (distance) C4'-P energy: -66.684 bonds (distance) P-C4' energy: -58.568 flat angles C4'-P-C4' energy: -78.224 flat angles P-C4'-P energy: -45.396 tors. eta vs tors. theta energy: -108.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1038.228528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.228528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.228528 (E_RNA) where: Base-Base interactions energy: -685.411 where: short stacking energy: -293.720 Base-Backbone interact. energy: -3.043 local terms energy: -349.774429 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -67.899 flat angles C4'-P-C4' energy: -73.528 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -96.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1030.827413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.827413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.827413 (E_RNA) where: Base-Base interactions energy: -707.061 where: short stacking energy: -300.595 Base-Backbone interact. energy: -0.788 local terms energy: -322.979007 where: bonds (distance) C4'-P energy: -51.053 bonds (distance) P-C4' energy: -56.466 flat angles C4'-P-C4' energy: -72.705 flat angles P-C4'-P energy: -46.346 tors. eta vs tors. theta energy: -96.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -970.291043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.291043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.291043 (E_RNA) where: Base-Base interactions energy: -641.898 where: short stacking energy: -302.366 Base-Backbone interact. energy: -0.270 local terms energy: -328.123160 where: bonds (distance) C4'-P energy: -55.657 bonds (distance) P-C4' energy: -56.874 flat angles C4'-P-C4' energy: -73.265 flat angles P-C4'-P energy: -43.955 tors. eta vs tors. theta energy: -98.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -928.133996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.133996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.133996 (E_RNA) where: Base-Base interactions energy: -625.496 where: short stacking energy: -271.042 Base-Backbone interact. energy: -0.967 local terms energy: -301.671162 where: bonds (distance) C4'-P energy: -52.746 bonds (distance) P-C4' energy: -58.173 flat angles C4'-P-C4' energy: -62.855 flat angles P-C4'-P energy: -40.174 tors. eta vs tors. theta energy: -87.724 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: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -756.329035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.329035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.329035 (E_RNA) where: Base-Base interactions energy: -487.472 where: short stacking energy: -218.088 Base-Backbone interact. energy: -0.590 local terms energy: -268.267320 where: bonds (distance) C4'-P energy: -53.486 bonds (distance) P-C4' energy: -57.712 flat angles C4'-P-C4' energy: -58.013 flat angles P-C4'-P energy: -39.093 tors. eta vs tors. theta energy: -59.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -637.118707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.118707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.118707 (E_RNA) where: Base-Base interactions energy: -405.883 where: short stacking energy: -182.504 Base-Backbone interact. energy: -0.822 local terms energy: -230.414456 where: bonds (distance) C4'-P energy: -51.719 bonds (distance) P-C4' energy: -56.391 flat angles C4'-P-C4' energy: -61.549 flat angles P-C4'-P energy: -22.451 tors. eta vs tors. theta energy: -38.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -487.965351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.965351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.965351 (E_RNA) where: Base-Base interactions energy: -265.062 where: short stacking energy: -139.991 Base-Backbone interact. energy: -0.405 local terms energy: -222.497500 where: bonds (distance) C4'-P energy: -63.295 bonds (distance) P-C4' energy: -60.218 flat angles C4'-P-C4' energy: -41.074 flat angles P-C4'-P energy: -33.475 tors. eta vs tors. theta energy: -24.437 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: 4 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -443.104160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.104160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.104160 (E_RNA) where: Base-Base interactions energy: -253.409 where: short stacking energy: -129.145 Base-Backbone interact. energy: 1.763 local terms energy: -191.459109 where: bonds (distance) C4'-P energy: -41.991 bonds (distance) P-C4' energy: -56.669 flat angles C4'-P-C4' energy: -43.452 flat angles P-C4'-P energy: -32.805 tors. eta vs tors. theta energy: -16.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -250.065442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.065442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.065442 (E_RNA) where: Base-Base interactions energy: -72.983 where: short stacking energy: -68.515 Base-Backbone interact. energy: -1.464 local terms energy: -175.618529 where: bonds (distance) C4'-P energy: -56.066 bonds (distance) P-C4' energy: -61.243 flat angles C4'-P-C4' energy: -47.188 flat angles P-C4'-P energy: -12.195 tors. eta vs tors. theta energy: 1.074 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: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1062.120400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.120400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.120400 (E_RNA) where: Base-Base interactions energy: -723.665 where: short stacking energy: -307.204 Base-Backbone interact. energy: -1.943 local terms energy: -336.512775 where: bonds (distance) C4'-P energy: -58.911 bonds (distance) P-C4' energy: -64.111 flat angles C4'-P-C4' energy: -67.286 flat angles P-C4'-P energy: -54.796 tors. eta vs tors. theta energy: -91.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1033.795693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.795693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.795693 (E_RNA) where: Base-Base interactions energy: -687.456 where: short stacking energy: -290.783 Base-Backbone interact. energy: 0.188 local terms energy: -346.528181 where: bonds (distance) C4'-P energy: -53.639 bonds (distance) P-C4' energy: -67.808 flat angles C4'-P-C4' energy: -74.253 flat angles P-C4'-P energy: -51.723 tors. eta vs tors. theta energy: -99.105 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: 2 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1023.139257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.139257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.139257 (E_RNA) where: Base-Base interactions energy: -702.557 where: short stacking energy: -309.176 Base-Backbone interact. energy: -1.012 local terms energy: -319.571074 where: bonds (distance) C4'-P energy: -61.061 bonds (distance) P-C4' energy: -56.842 flat angles C4'-P-C4' energy: -68.229 flat angles P-C4'-P energy: -38.914 tors. eta vs tors. theta energy: -94.525 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: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -943.605821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.605821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.605821 (E_RNA) where: Base-Base interactions energy: -642.265 where: short stacking energy: -271.814 Base-Backbone interact. energy: -0.076 local terms energy: -301.264851 where: bonds (distance) C4'-P energy: -47.806 bonds (distance) P-C4' energy: -62.488 flat angles C4'-P-C4' energy: -70.990 flat angles P-C4'-P energy: -47.563 tors. eta vs tors. theta energy: -72.418 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: 5 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -938.359821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.359821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.359821 (E_RNA) where: Base-Base interactions energy: -626.274 where: short stacking energy: -292.141 Base-Backbone interact. energy: -0.757 local terms energy: -311.329167 where: bonds (distance) C4'-P energy: -57.080 bonds (distance) P-C4' energy: -58.179 flat angles C4'-P-C4' energy: -66.171 flat angles P-C4'-P energy: -40.711 tors. eta vs tors. theta energy: -89.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -755.587342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.587342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.587342 (E_RNA) where: Base-Base interactions energy: -465.088 where: short stacking energy: -227.917 Base-Backbone interact. energy: -2.415 local terms energy: -288.084127 where: bonds (distance) C4'-P energy: -47.974 bonds (distance) P-C4' energy: -59.162 flat angles C4'-P-C4' energy: -66.831 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: -64.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -635.837199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.837199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.837199 (E_RNA) where: Base-Base interactions energy: -416.002 where: short stacking energy: -166.935 Base-Backbone interact. energy: -2.430 local terms energy: -217.405037 where: bonds (distance) C4'-P energy: -47.680 bonds (distance) P-C4' energy: -61.812 flat angles C4'-P-C4' energy: -60.870 flat angles P-C4'-P energy: -17.193 tors. eta vs tors. theta energy: -29.849 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: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -469.047610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.047610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.047610 (E_RNA) where: Base-Base interactions energy: -256.618 where: short stacking energy: -132.381 Base-Backbone interact. energy: 2.076 local terms energy: -214.505484 where: bonds (distance) C4'-P energy: -67.139 bonds (distance) P-C4' energy: -48.373 flat angles C4'-P-C4' energy: -39.436 flat angles P-C4'-P energy: -32.409 tors. eta vs tors. theta energy: -27.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -452.354732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.354732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.354732 (E_RNA) where: Base-Base interactions energy: -255.678 where: short stacking energy: -127.860 Base-Backbone interact. energy: 0.824 local terms energy: -197.500004 where: bonds (distance) C4'-P energy: -50.413 bonds (distance) P-C4' energy: -59.565 flat angles C4'-P-C4' energy: -36.302 flat angles P-C4'-P energy: -30.119 tors. eta vs tors. theta energy: -21.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -263.548341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.548341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.548341 (E_RNA) where: Base-Base interactions energy: -107.385 where: short stacking energy: -48.936 Base-Backbone interact. energy: -1.201 local terms energy: -154.962442 where: bonds (distance) C4'-P energy: -51.932 bonds (distance) P-C4' energy: -47.732 flat angles C4'-P-C4' energy: -35.869 flat angles P-C4'-P energy: -31.442 tors. eta vs tors. theta energy: 12.013 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: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1056.143822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.143822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.143822 (E_RNA) where: Base-Base interactions energy: -706.193 where: short stacking energy: -318.226 Base-Backbone interact. energy: -1.973 local terms energy: -347.977874 where: bonds (distance) C4'-P energy: -59.080 bonds (distance) P-C4' energy: -71.333 flat angles C4'-P-C4' energy: -72.482 flat angles P-C4'-P energy: -46.516 tors. eta vs tors. theta energy: -98.567 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: 2, replica: 2 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1059.123524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.123524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.123524 (E_RNA) where: Base-Base interactions energy: -729.436 where: short stacking energy: -308.174 Base-Backbone interact. energy: 3.168 local terms energy: -332.855350 where: bonds (distance) C4'-P energy: -57.034 bonds (distance) P-C4' energy: -55.125 flat angles C4'-P-C4' energy: -76.619 flat angles P-C4'-P energy: -47.383 tors. eta vs tors. theta energy: -96.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1038.536927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.536927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.536927 (E_RNA) where: Base-Base interactions energy: -684.319 where: short stacking energy: -296.786 Base-Backbone interact. energy: -0.433 local terms energy: -353.785618 where: bonds (distance) C4'-P energy: -59.097 bonds (distance) P-C4' energy: -68.104 flat angles C4'-P-C4' energy: -74.825 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -96.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -939.527785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.527785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.527785 (E_RNA) where: Base-Base interactions energy: -624.844 where: short stacking energy: -286.127 Base-Backbone interact. energy: 1.255 local terms energy: -315.938630 where: bonds (distance) C4'-P energy: -57.599 bonds (distance) P-C4' energy: -61.306 flat angles C4'-P-C4' energy: -65.432 flat angles P-C4'-P energy: -45.581 tors. eta vs tors. theta energy: -86.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -941.583204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.583204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.583204 (E_RNA) where: Base-Base interactions energy: -635.751 where: short stacking energy: -279.467 Base-Backbone interact. energy: -1.408 local terms energy: -304.424142 where: bonds (distance) C4'-P energy: -59.476 bonds (distance) P-C4' energy: -52.524 flat angles C4'-P-C4' energy: -64.862 flat angles P-C4'-P energy: -39.801 tors. eta vs tors. theta energy: -87.762 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: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -803.192441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.192441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.192441 (E_RNA) where: Base-Base interactions energy: -532.860 where: short stacking energy: -240.343 Base-Backbone interact. energy: -2.164 local terms energy: -268.169103 where: bonds (distance) C4'-P energy: -58.574 bonds (distance) P-C4' energy: -57.074 flat angles C4'-P-C4' energy: -49.681 flat angles P-C4'-P energy: -48.850 tors. eta vs tors. theta energy: -53.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -583.827166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.827166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.827166 (E_RNA) where: Base-Base interactions energy: -353.445 where: short stacking energy: -167.611 Base-Backbone interact. energy: 3.300 local terms energy: -233.682009 where: bonds (distance) C4'-P energy: -48.465 bonds (distance) P-C4' energy: -48.869 flat angles C4'-P-C4' energy: -63.261 flat angles P-C4'-P energy: -37.192 tors. eta vs tors. theta energy: -35.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -496.667895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.667895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.667895 (E_RNA) where: Base-Base interactions energy: -282.614 where: short stacking energy: -138.141 Base-Backbone interact. energy: 0.204 local terms energy: -214.258752 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -50.766 flat angles C4'-P-C4' energy: -49.477 flat angles P-C4'-P energy: -38.279 tors. eta vs tors. theta energy: -21.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -457.380602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.380602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.380602 (E_RNA) where: Base-Base interactions energy: -237.541 where: short stacking energy: -119.406 Base-Backbone interact. energy: 2.431 local terms energy: -222.270831 where: bonds (distance) C4'-P energy: -55.556 bonds (distance) P-C4' energy: -59.459 flat angles C4'-P-C4' energy: -47.802 flat angles P-C4'-P energy: -36.540 tors. eta vs tors. theta energy: -22.914 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: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -263.618123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.618123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.618123 (E_RNA) where: Base-Base interactions energy: -71.824 where: short stacking energy: -47.297 Base-Backbone interact. energy: 1.975 local terms energy: -193.768302 where: bonds (distance) C4'-P energy: -62.650 bonds (distance) P-C4' energy: -58.731 flat angles C4'-P-C4' energy: -48.662 flat angles P-C4'-P energy: -29.507 tors. eta vs tors. theta energy: 5.782 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: 1, replica: 2 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1097.352783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.352783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.352783 (E_RNA) where: Base-Base interactions energy: -762.394 where: short stacking energy: -315.732 Base-Backbone interact. energy: 0.851 local terms energy: -335.809827 where: bonds (distance) C4'-P energy: -63.026 bonds (distance) P-C4' energy: -53.566 flat angles C4'-P-C4' energy: -77.731 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: -99.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1025.648717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.648717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.648717 (E_RNA) where: Base-Base interactions energy: -693.648 where: short stacking energy: -287.827 Base-Backbone interact. energy: -1.488 local terms energy: -330.512199 where: bonds (distance) C4'-P energy: -67.689 bonds (distance) P-C4' energy: -58.769 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -91.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1015.413338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.413338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.413338 (E_RNA) where: Base-Base interactions energy: -687.233 where: short stacking energy: -288.989 Base-Backbone interact. energy: 0.714 local terms energy: -328.894414 where: bonds (distance) C4'-P energy: -62.787 bonds (distance) P-C4' energy: -65.819 flat angles C4'-P-C4' energy: -64.070 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -92.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -953.522569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.522569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.522569 (E_RNA) where: Base-Base interactions energy: -646.997 where: short stacking energy: -296.305 Base-Backbone interact. energy: 1.992 local terms energy: -308.518034 where: bonds (distance) C4'-P energy: -63.909 bonds (distance) P-C4' energy: -56.087 flat angles C4'-P-C4' energy: -62.604 flat angles P-C4'-P energy: -34.981 tors. eta vs tors. theta energy: -90.937 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: 1 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -898.346791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.346791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.346791 (E_RNA) where: Base-Base interactions energy: -583.797 where: short stacking energy: -258.363 Base-Backbone interact. energy: 2.153 local terms energy: -316.702901 where: bonds (distance) C4'-P energy: -64.927 bonds (distance) P-C4' energy: -57.319 flat angles C4'-P-C4' energy: -64.403 flat angles P-C4'-P energy: -44.488 tors. eta vs tors. theta energy: -85.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -829.956108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.956108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.956108 (E_RNA) where: Base-Base interactions energy: -541.544 where: short stacking energy: -249.210 Base-Backbone interact. energy: -0.535 local terms energy: -287.877196 where: bonds (distance) C4'-P energy: -53.596 bonds (distance) P-C4' energy: -61.278 flat angles C4'-P-C4' energy: -59.420 flat angles P-C4'-P energy: -40.536 tors. eta vs tors. theta energy: -73.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -569.573380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.573380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.573380 (E_RNA) where: Base-Base interactions energy: -338.365 where: short stacking energy: -166.876 Base-Backbone interact. energy: 0.219 local terms energy: -231.427871 where: bonds (distance) C4'-P energy: -45.667 bonds (distance) P-C4' energy: -63.971 flat angles C4'-P-C4' energy: -51.335 flat angles P-C4'-P energy: -40.886 tors. eta vs tors. theta energy: -29.569 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: 4 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -533.531083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.531083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.531083 (E_RNA) where: Base-Base interactions energy: -302.124 where: short stacking energy: -149.659 Base-Backbone interact. energy: -0.839 local terms energy: -230.568301 where: bonds (distance) C4'-P energy: -58.672 bonds (distance) P-C4' energy: -51.879 flat angles C4'-P-C4' energy: -51.014 flat angles P-C4'-P energy: -38.799 tors. eta vs tors. theta energy: -30.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -450.685416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.685416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.685416 (E_RNA) where: Base-Base interactions energy: -236.975 where: short stacking energy: -120.601 Base-Backbone interact. energy: -2.125 local terms energy: -211.584991 where: bonds (distance) C4'-P energy: -48.715 bonds (distance) P-C4' energy: -43.626 flat angles C4'-P-C4' energy: -50.464 flat angles P-C4'-P energy: -43.469 tors. eta vs tors. theta energy: -25.311 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: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -263.258923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.258923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.258923 (E_RNA) where: Base-Base interactions energy: -97.085 where: short stacking energy: -75.553 Base-Backbone interact. energy: -1.031 local terms energy: -165.143450 where: bonds (distance) C4'-P energy: -55.734 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -37.564 flat angles P-C4'-P energy: -25.907 tors. eta vs tors. theta energy: 11.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1072.077629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.077629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.077629 (E_RNA) where: Base-Base interactions energy: -730.132 where: short stacking energy: -320.943 Base-Backbone interact. energy: -0.921 local terms energy: -341.023848 where: bonds (distance) C4'-P energy: -62.861 bonds (distance) P-C4' energy: -67.789 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: -98.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1042.299392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.299392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.299392 (E_RNA) where: Base-Base interactions energy: -726.658 where: short stacking energy: -303.175 Base-Backbone interact. energy: -0.884 local terms energy: -314.757373 where: bonds (distance) C4'-P energy: -55.886 bonds (distance) P-C4' energy: -65.608 flat angles C4'-P-C4' energy: -62.647 flat angles P-C4'-P energy: -35.925 tors. eta vs tors. theta energy: -94.692 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: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1024.932977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.932977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.932977 (E_RNA) where: Base-Base interactions energy: -672.654 where: short stacking energy: -295.953 Base-Backbone interact. energy: -1.111 local terms energy: -351.167944 where: bonds (distance) C4'-P energy: -70.391 bonds (distance) P-C4' energy: -60.569 flat angles C4'-P-C4' energy: -75.358 flat angles P-C4'-P energy: -50.532 tors. eta vs tors. theta energy: -94.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -964.590360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.590360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.590360 (E_RNA) where: Base-Base interactions energy: -669.853 where: short stacking energy: -284.489 Base-Backbone interact. energy: -1.525 local terms energy: -293.212664 where: bonds (distance) C4'-P energy: -51.180 bonds (distance) P-C4' energy: -51.226 flat angles C4'-P-C4' energy: -63.865 flat angles P-C4'-P energy: -38.914 tors. eta vs tors. theta energy: -88.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -930.047968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.047968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.047968 (E_RNA) where: Base-Base interactions energy: -619.132 where: short stacking energy: -279.208 Base-Backbone interact. energy: 0.025 local terms energy: -310.940617 where: bonds (distance) C4'-P energy: -65.444 bonds (distance) P-C4' energy: -55.137 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -78.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -811.519241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.519241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.519241 (E_RNA) where: Base-Base interactions energy: -544.382 where: short stacking energy: -233.761 Base-Backbone interact. energy: 3.109 local terms energy: -270.245934 where: bonds (distance) C4'-P energy: -48.667 bonds (distance) P-C4' energy: -44.598 flat angles C4'-P-C4' energy: -63.750 flat angles P-C4'-P energy: -42.355 tors. eta vs tors. theta energy: -70.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -666.962391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.962391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.962391 (E_RNA) where: Base-Base interactions energy: -410.577 where: short stacking energy: -182.187 Base-Backbone interact. energy: -1.674 local terms energy: -254.711704 where: bonds (distance) C4'-P energy: -61.718 bonds (distance) P-C4' energy: -46.718 flat angles C4'-P-C4' energy: -59.841 flat angles P-C4'-P energy: -39.593 tors. eta vs tors. theta energy: -46.842 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: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -569.183972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.183972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.183972 (E_RNA) where: Base-Base interactions energy: -335.043 where: short stacking energy: -164.156 Base-Backbone interact. energy: -1.532 local terms energy: -232.608997 where: bonds (distance) C4'-P energy: -53.338 bonds (distance) P-C4' energy: -59.371 flat angles C4'-P-C4' energy: -54.454 flat angles P-C4'-P energy: -24.100 tors. eta vs tors. theta energy: -41.345 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: 9, replica: 6 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -460.579137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.579137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.579137 (E_RNA) where: Base-Base interactions energy: -259.527 where: short stacking energy: -140.172 Base-Backbone interact. energy: -3.097 local terms energy: -197.955267 where: bonds (distance) C4'-P energy: -48.588 bonds (distance) P-C4' energy: -48.346 flat angles C4'-P-C4' energy: -44.589 flat angles P-C4'-P energy: -30.375 tors. eta vs tors. theta energy: -26.058 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: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -277.384473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.384473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.384473 (E_RNA) where: Base-Base interactions energy: -105.387 where: short stacking energy: -65.291 Base-Backbone interact. energy: -2.286 local terms energy: -169.711556 where: bonds (distance) C4'-P energy: -52.049 bonds (distance) P-C4' energy: -45.848 flat angles C4'-P-C4' energy: -46.436 flat angles P-C4'-P energy: -28.308 tors. eta vs tors. theta energy: 2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1071.959452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.959452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.959452 (E_RNA) where: Base-Base interactions energy: -727.682 where: short stacking energy: -311.015 Base-Backbone interact. energy: -1.123 local terms energy: -343.154382 where: bonds (distance) C4'-P energy: -56.694 bonds (distance) P-C4' energy: -72.745 flat angles C4'-P-C4' energy: -69.544 flat angles P-C4'-P energy: -44.495 tors. eta vs tors. theta energy: -99.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1079.377708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.377708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.377708 (E_RNA) where: Base-Base interactions energy: -749.366 where: short stacking energy: -319.427 Base-Backbone interact. energy: -0.591 local terms energy: -329.420363 where: bonds (distance) C4'-P energy: -60.842 bonds (distance) P-C4' energy: -59.021 flat angles C4'-P-C4' energy: -66.070 flat angles P-C4'-P energy: -41.123 tors. eta vs tors. theta energy: -102.365 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: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -975.360014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.360014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.360014 (E_RNA) where: Base-Base interactions energy: -653.696 where: short stacking energy: -296.403 Base-Backbone interact. energy: 3.383 local terms energy: -325.047000 where: bonds (distance) C4'-P energy: -57.928 bonds (distance) P-C4' energy: -53.231 flat angles C4'-P-C4' energy: -75.522 flat angles P-C4'-P energy: -43.941 tors. eta vs tors. theta energy: -94.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -993.634462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.634462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.634462 (E_RNA) where: Base-Base interactions energy: -674.125 where: short stacking energy: -282.521 Base-Backbone interact. energy: -0.245 local terms energy: -319.264656 where: bonds (distance) C4'-P energy: -50.957 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -73.076 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: -87.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -897.404628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.404628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.404628 (E_RNA) where: Base-Base interactions energy: -619.071 where: short stacking energy: -261.585 Base-Backbone interact. energy: -1.867 local terms energy: -276.466557 where: bonds (distance) C4'-P energy: -54.776 bonds (distance) P-C4' energy: -55.493 flat angles C4'-P-C4' energy: -51.288 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -75.417 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: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -824.937494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.937494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.937494 (E_RNA) where: Base-Base interactions energy: -564.195 where: short stacking energy: -234.746 Base-Backbone interact. energy: -0.328 local terms energy: -260.415003 where: bonds (distance) C4'-P energy: -51.200 bonds (distance) P-C4' energy: -58.052 flat angles C4'-P-C4' energy: -54.479 flat angles P-C4'-P energy: -24.884 tors. eta vs tors. theta energy: -71.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -650.816727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.816727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.816727 (E_RNA) where: Base-Base interactions energy: -413.013 where: short stacking energy: -185.318 Base-Backbone interact. energy: -1.225 local terms energy: -236.578618 where: bonds (distance) C4'-P energy: -55.147 bonds (distance) P-C4' energy: -50.708 flat angles C4'-P-C4' energy: -50.557 flat angles P-C4'-P energy: -40.341 tors. eta vs tors. theta energy: -39.826 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: 8, replica: 4 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -572.221645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.221645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.221645 (E_RNA) where: Base-Base interactions energy: -341.385 where: short stacking energy: -161.924 Base-Backbone interact. energy: -0.936 local terms energy: -229.901162 where: bonds (distance) C4'-P energy: -43.673 bonds (distance) P-C4' energy: -60.500 flat angles C4'-P-C4' energy: -56.801 flat angles P-C4'-P energy: -40.318 tors. eta vs tors. theta energy: -28.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -446.159004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.159004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.159004 (E_RNA) where: Base-Base interactions energy: -257.589 where: short stacking energy: -125.207 Base-Backbone interact. energy: -0.756 local terms energy: -187.814074 where: bonds (distance) C4'-P energy: -38.039 bonds (distance) P-C4' energy: -53.522 flat angles C4'-P-C4' energy: -49.015 flat angles P-C4'-P energy: -38.582 tors. eta vs tors. theta energy: -8.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -260.926029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.926029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.926029 (E_RNA) where: Base-Base interactions energy: -106.107 where: short stacking energy: -79.726 Base-Backbone interact. energy: 1.178 local terms energy: -155.997251 where: bonds (distance) C4'-P energy: -55.648 bonds (distance) P-C4' energy: -43.495 flat angles C4'-P-C4' energy: -31.470 flat angles P-C4'-P energy: -25.044 tors. eta vs tors. theta energy: -0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1074.489753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.489753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.489753 (E_RNA) where: Base-Base interactions energy: -736.911 where: short stacking energy: -299.857 Base-Backbone interact. energy: -1.568 local terms energy: -336.010116 where: bonds (distance) C4'-P energy: -70.350 bonds (distance) P-C4' energy: -63.755 flat angles C4'-P-C4' energy: -69.117 flat angles P-C4'-P energy: -41.573 tors. eta vs tors. theta energy: -91.214 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: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1062.794736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.794736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.794736 (E_RNA) where: Base-Base interactions energy: -716.255 where: short stacking energy: -295.613 Base-Backbone interact. energy: -0.596 local terms energy: -345.943183 where: bonds (distance) C4'-P energy: -74.176 bonds (distance) P-C4' energy: -58.095 flat angles C4'-P-C4' energy: -68.421 flat angles P-C4'-P energy: -45.817 tors. eta vs tors. theta energy: -99.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -961.657198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.657198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.657198 (E_RNA) where: Base-Base interactions energy: -654.979 where: short stacking energy: -292.870 Base-Backbone interact. energy: -3.413 local terms energy: -303.265853 where: bonds (distance) C4'-P energy: -46.837 bonds (distance) P-C4' energy: -59.207 flat angles C4'-P-C4' energy: -67.149 flat angles P-C4'-P energy: -42.803 tors. eta vs tors. theta energy: -87.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1006.274436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.274436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.274436 (E_RNA) where: Base-Base interactions energy: -702.453 where: short stacking energy: -297.933 Base-Backbone interact. energy: -1.530 local terms energy: -302.291394 where: bonds (distance) C4'-P energy: -53.063 bonds (distance) P-C4' energy: -55.648 flat angles C4'-P-C4' energy: -65.076 flat angles P-C4'-P energy: -31.123 tors. eta vs tors. theta energy: -97.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -933.361925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.361925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.361925 (E_RNA) where: Base-Base interactions energy: -626.664 where: short stacking energy: -282.357 Base-Backbone interact. energy: 0.575 local terms energy: -307.272018 where: bonds (distance) C4'-P energy: -44.152 bonds (distance) P-C4' energy: -66.210 flat angles C4'-P-C4' energy: -72.313 flat angles P-C4'-P energy: -44.701 tors. eta vs tors. theta energy: -79.897 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: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -844.279076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.279076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.279076 (E_RNA) where: Base-Base interactions energy: -571.335 where: short stacking energy: -230.060 Base-Backbone interact. energy: -1.545 local terms energy: -271.399257 where: bonds (distance) C4'-P energy: -50.528 bonds (distance) P-C4' energy: -60.009 flat angles C4'-P-C4' energy: -65.927 flat angles P-C4'-P energy: -31.584 tors. eta vs tors. theta energy: -63.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -690.200356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.200356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.200356 (E_RNA) where: Base-Base interactions energy: -453.729 where: short stacking energy: -195.804 Base-Backbone interact. energy: -0.576 local terms energy: -235.896223 where: bonds (distance) C4'-P energy: -47.704 bonds (distance) P-C4' energy: -56.248 flat angles C4'-P-C4' energy: -53.695 flat angles P-C4'-P energy: -28.846 tors. eta vs tors. theta energy: -49.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -564.744513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.744513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.744513 (E_RNA) where: Base-Base interactions energy: -333.738 where: short stacking energy: -159.117 Base-Backbone interact. energy: -1.210 local terms energy: -229.796832 where: bonds (distance) C4'-P energy: -49.026 bonds (distance) P-C4' energy: -67.813 flat angles C4'-P-C4' energy: -59.225 flat angles P-C4'-P energy: -20.587 tors. eta vs tors. theta energy: -33.146 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: 9, replica: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -431.381683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.381683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.381683 (E_RNA) where: Base-Base interactions energy: -241.313 where: short stacking energy: -124.375 Base-Backbone interact. energy: 2.524 local terms energy: -192.593050 where: bonds (distance) C4'-P energy: -53.106 bonds (distance) P-C4' energy: -55.469 flat angles C4'-P-C4' energy: -41.179 flat angles P-C4'-P energy: -35.129 tors. eta vs tors. theta energy: -7.711 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: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -264.557361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.557361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.557361 (E_RNA) where: Base-Base interactions energy: -103.007 where: short stacking energy: -80.389 Base-Backbone interact. energy: 1.216 local terms energy: -162.765764 where: bonds (distance) C4'-P energy: -39.437 bonds (distance) P-C4' energy: -42.480 flat angles C4'-P-C4' energy: -46.513 flat angles P-C4'-P energy: -29.949 tors. eta vs tors. theta energy: -4.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1080.989444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.989444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.989444 (E_RNA) where: Base-Base interactions energy: -729.018 where: short stacking energy: -323.154 Base-Backbone interact. energy: -0.215 local terms energy: -351.756945 where: bonds (distance) C4'-P energy: -63.562 bonds (distance) P-C4' energy: -57.916 flat angles C4'-P-C4' energy: -75.398 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -106.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1044.270831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.270831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.270831 (E_RNA) where: Base-Base interactions energy: -716.050 where: short stacking energy: -285.962 Base-Backbone interact. energy: -4.529 local terms energy: -323.691295 where: bonds (distance) C4'-P energy: -51.362 bonds (distance) P-C4' energy: -68.248 flat angles C4'-P-C4' energy: -66.317 flat angles P-C4'-P energy: -47.933 tors. eta vs tors. theta energy: -89.832 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: 7 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1017.286553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.286553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.286553 (E_RNA) where: Base-Base interactions energy: -683.005 where: short stacking energy: -302.865 Base-Backbone interact. energy: -0.702 local terms energy: -333.579601 where: bonds (distance) C4'-P energy: -58.266 bonds (distance) P-C4' energy: -60.742 flat angles C4'-P-C4' energy: -72.351 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -95.727 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: 4, replica: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -927.165326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.165326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.165326 (E_RNA) where: Base-Base interactions energy: -618.275 where: short stacking energy: -258.206 Base-Backbone interact. energy: 1.495 local terms energy: -310.385329 where: bonds (distance) C4'-P energy: -64.126 bonds (distance) P-C4' energy: -65.638 flat angles C4'-P-C4' energy: -58.922 flat angles P-C4'-P energy: -39.495 tors. eta vs tors. theta energy: -82.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -925.582881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.582881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.582881 (E_RNA) where: Base-Base interactions energy: -611.948 where: short stacking energy: -284.824 Base-Backbone interact. energy: -1.770 local terms energy: -311.865441 where: bonds (distance) C4'-P energy: -46.444 bonds (distance) P-C4' energy: -60.101 flat angles C4'-P-C4' energy: -69.175 flat angles P-C4'-P energy: -45.444 tors. eta vs tors. theta energy: -90.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -836.939651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.939651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.939651 (E_RNA) where: Base-Base interactions energy: -542.759 where: short stacking energy: -228.683 Base-Backbone interact. energy: -0.974 local terms energy: -293.206786 where: bonds (distance) C4'-P energy: -57.855 bonds (distance) P-C4' energy: -61.522 flat angles C4'-P-C4' energy: -64.803 flat angles P-C4'-P energy: -40.569 tors. eta vs tors. theta energy: -68.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -696.148086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.148086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.148086 (E_RNA) where: Base-Base interactions energy: -441.309 where: short stacking energy: -212.817 Base-Backbone interact. energy: -0.708 local terms energy: -254.130906 where: bonds (distance) C4'-P energy: -50.429 bonds (distance) P-C4' energy: -60.456 flat angles C4'-P-C4' energy: -67.233 flat angles P-C4'-P energy: -30.100 tors. eta vs tors. theta energy: -45.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -552.556328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.556328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.556328 (E_RNA) where: Base-Base interactions energy: -333.412 where: short stacking energy: -155.933 Base-Backbone interact. energy: 3.950 local terms energy: -223.094032 where: bonds (distance) C4'-P energy: -45.505 bonds (distance) P-C4' energy: -67.782 flat angles C4'-P-C4' energy: -54.217 flat angles P-C4'-P energy: -27.911 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: 9, replica: 6 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -420.623035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.623035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.623035 (E_RNA) where: Base-Base interactions energy: -210.417 where: short stacking energy: -119.265 Base-Backbone interact. energy: -0.421 local terms energy: -209.784808 where: bonds (distance) C4'-P energy: -52.694 bonds (distance) P-C4' energy: -60.409 flat angles C4'-P-C4' energy: -42.022 flat angles P-C4'-P energy: -34.823 tors. eta vs tors. theta energy: -19.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -279.888307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.888307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.888307 (E_RNA) where: Base-Base interactions energy: -116.090 where: short stacking energy: -93.125 Base-Backbone interact. energy: 0.720 local terms energy: -164.518929 where: bonds (distance) C4'-P energy: -44.439 bonds (distance) P-C4' energy: -56.464 flat angles C4'-P-C4' energy: -30.163 flat angles P-C4'-P energy: -29.143 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1086.769658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.769658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.769658 (E_RNA) where: Base-Base interactions energy: -731.595 where: short stacking energy: -317.573 Base-Backbone interact. energy: 0.532 local terms energy: -355.706573 where: bonds (distance) C4'-P energy: -73.545 bonds (distance) P-C4' energy: -64.832 flat angles C4'-P-C4' energy: -77.248 flat angles P-C4'-P energy: -48.450 tors. eta vs tors. theta energy: -91.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1022.891488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.891488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.891488 (E_RNA) where: Base-Base interactions energy: -692.085 where: short stacking energy: -298.337 Base-Backbone interact. energy: -1.479 local terms energy: -329.327277 where: bonds (distance) C4'-P energy: -63.999 bonds (distance) P-C4' energy: -51.643 flat angles C4'-P-C4' energy: -68.987 flat angles P-C4'-P energy: -38.042 tors. eta vs tors. theta energy: -106.657 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: 441 Temperature: 1.000000 Total energy: -1032.434310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.434310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.434310 (E_RNA) where: Base-Base interactions energy: -701.742 where: short stacking energy: -297.655 Base-Backbone interact. energy: -2.030 local terms energy: -328.662566 where: bonds (distance) C4'-P energy: -53.746 bonds (distance) P-C4' energy: -59.736 flat angles C4'-P-C4' energy: -75.882 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: -90.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -926.770786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.770786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.770786 (E_RNA) where: Base-Base interactions energy: -590.991 where: short stacking energy: -243.175 Base-Backbone interact. energy: -1.114 local terms energy: -334.665682 where: bonds (distance) C4'-P energy: -65.722 bonds (distance) P-C4' energy: -70.262 flat angles C4'-P-C4' energy: -70.262 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -79.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -894.942008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.942008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.942008 (E_RNA) where: Base-Base interactions energy: -598.273 where: short stacking energy: -258.298 Base-Backbone interact. energy: -0.471 local terms energy: -296.197066 where: bonds (distance) C4'-P energy: -51.881 bonds (distance) P-C4' energy: -60.362 flat angles C4'-P-C4' energy: -62.425 flat angles P-C4'-P energy: -40.954 tors. eta vs tors. theta energy: -80.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -842.958758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.958758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.958758 (E_RNA) where: Base-Base interactions energy: -558.110 where: short stacking energy: -228.959 Base-Backbone interact. energy: -0.397 local terms energy: -284.451736 where: bonds (distance) C4'-P energy: -59.196 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -57.114 flat angles P-C4'-P energy: -36.737 tors. eta vs tors. theta energy: -71.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -634.048884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.048884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.048884 (E_RNA) where: Base-Base interactions energy: -379.827 where: short stacking energy: -179.645 Base-Backbone interact. energy: -0.509 local terms energy: -253.713379 where: bonds (distance) C4'-P energy: -65.336 bonds (distance) P-C4' energy: -54.934 flat angles C4'-P-C4' energy: -54.198 flat angles P-C4'-P energy: -36.216 tors. eta vs tors. theta energy: -43.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -533.302677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.302677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.302677 (E_RNA) where: Base-Base interactions energy: -307.029 where: short stacking energy: -156.992 Base-Backbone interact. energy: 0.733 local terms energy: -227.006659 where: bonds (distance) C4'-P energy: -50.512 bonds (distance) P-C4' energy: -58.760 flat angles C4'-P-C4' energy: -46.923 flat angles P-C4'-P energy: -37.595 tors. eta vs tors. theta energy: -33.216 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: 6 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -482.857845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.857845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.857845 (E_RNA) where: Base-Base interactions energy: -279.101 where: short stacking energy: -138.043 Base-Backbone interact. energy: -2.227 local terms energy: -201.529808 where: bonds (distance) C4'-P energy: -45.487 bonds (distance) P-C4' energy: -47.170 flat angles C4'-P-C4' energy: -50.371 flat angles P-C4'-P energy: -42.177 tors. eta vs tors. theta energy: -16.326 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: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -251.368596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.368596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.368596 (E_RNA) where: Base-Base interactions energy: -71.588 where: short stacking energy: -65.968 Base-Backbone interact. energy: 1.663 local terms energy: -181.443964 where: bonds (distance) C4'-P energy: -50.063 bonds (distance) P-C4' energy: -72.200 flat angles C4'-P-C4' energy: -52.389 flat angles P-C4'-P energy: -20.482 tors. eta vs tors. theta energy: 13.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1089.497427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.497427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.497427 (E_RNA) where: Base-Base interactions energy: -733.003 where: short stacking energy: -325.366 Base-Backbone interact. energy: -1.566 local terms energy: -354.929118 where: bonds (distance) C4'-P energy: -63.024 bonds (distance) P-C4' energy: -69.903 flat angles C4'-P-C4' energy: -69.323 flat angles P-C4'-P energy: -50.295 tors. eta vs tors. theta energy: -102.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1069.427679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.427679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.427679 (E_RNA) where: Base-Base interactions energy: -717.522 where: short stacking energy: -307.377 Base-Backbone interact. energy: -1.216 local terms energy: -350.689980 where: bonds (distance) C4'-P energy: -63.385 bonds (distance) P-C4' energy: -70.182 flat angles C4'-P-C4' energy: -71.618 flat angles P-C4'-P energy: -42.677 tors. eta vs tors. theta energy: -102.828 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: 442 Temperature: 1.000000 Total energy: -1019.421765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.421765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.421765 (E_RNA) where: Base-Base interactions energy: -691.802 where: short stacking energy: -287.091 Base-Backbone interact. energy: 1.988 local terms energy: -329.608400 where: bonds (distance) C4'-P energy: -58.290 bonds (distance) P-C4' energy: -60.976 flat angles C4'-P-C4' energy: -59.853 flat angles P-C4'-P energy: -56.597 tors. eta vs tors. theta energy: -93.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -958.481900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.481900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.481900 (E_RNA) where: Base-Base interactions energy: -660.092 where: short stacking energy: -284.015 Base-Backbone interact. energy: -2.845 local terms energy: -295.544909 where: bonds (distance) C4'-P energy: -56.315 bonds (distance) P-C4' energy: -45.988 flat angles C4'-P-C4' energy: -64.451 flat angles P-C4'-P energy: -43.302 tors. eta vs tors. theta energy: -85.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -890.511355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.511355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.511355 (E_RNA) where: Base-Base interactions energy: -596.521 where: short stacking energy: -254.473 Base-Backbone interact. energy: -1.822 local terms energy: -292.168782 where: bonds (distance) C4'-P energy: -56.482 bonds (distance) P-C4' energy: -63.697 flat angles C4'-P-C4' energy: -61.092 flat angles P-C4'-P energy: -36.540 tors. eta vs tors. theta energy: -74.358 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: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -806.356837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.356837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.356837 (E_RNA) where: Base-Base interactions energy: -524.905 where: short stacking energy: -235.361 Base-Backbone interact. energy: -0.122 local terms energy: -281.329350 where: bonds (distance) C4'-P energy: -51.847 bonds (distance) P-C4' energy: -62.096 flat angles C4'-P-C4' energy: -59.012 flat angles P-C4'-P energy: -39.279 tors. eta vs tors. theta energy: -69.095 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: 3 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -597.012183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.012183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.012183 (E_RNA) where: Base-Base interactions energy: -378.197 where: short stacking energy: -173.927 Base-Backbone interact. energy: -1.749 local terms energy: -217.065701 where: bonds (distance) C4'-P energy: -42.398 bonds (distance) P-C4' energy: -55.390 flat angles C4'-P-C4' energy: -51.177 flat angles P-C4'-P energy: -35.648 tors. eta vs tors. theta energy: -32.453 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: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -530.884867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.884867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.884867 (E_RNA) where: Base-Base interactions energy: -325.963 where: short stacking energy: -140.562 Base-Backbone interact. energy: 1.967 local terms energy: -206.889416 where: bonds (distance) C4'-P energy: -43.841 bonds (distance) P-C4' energy: -62.488 flat angles C4'-P-C4' energy: -51.737 flat angles P-C4'-P energy: -18.757 tors. eta vs tors. theta energy: -30.067 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: 6 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -479.368496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.368496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.368496 (E_RNA) where: Base-Base interactions energy: -296.364 where: short stacking energy: -141.192 Base-Backbone interact. energy: 3.038 local terms energy: -186.041736 where: bonds (distance) C4'-P energy: -41.514 bonds (distance) P-C4' energy: -43.227 flat angles C4'-P-C4' energy: -59.519 flat angles P-C4'-P energy: -28.993 tors. eta vs tors. theta energy: -12.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -259.008878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.008878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.008878 (E_RNA) where: Base-Base interactions energy: -82.911 where: short stacking energy: -72.939 Base-Backbone interact. energy: -0.874 local terms energy: -175.224248 where: bonds (distance) C4'-P energy: -47.420 bonds (distance) P-C4' energy: -66.665 flat angles C4'-P-C4' energy: -40.965 flat angles P-C4'-P energy: -32.996 tors. eta vs tors. theta energy: 12.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1091.769091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.769091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.769091 (E_RNA) where: Base-Base interactions energy: -747.363 where: short stacking energy: -326.184 Base-Backbone interact. energy: 0.267 local terms energy: -344.673048 where: bonds (distance) C4'-P energy: -56.020 bonds (distance) P-C4' energy: -64.858 flat angles C4'-P-C4' energy: -73.822 flat angles P-C4'-P energy: -51.916 tors. eta vs tors. theta energy: -98.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1058.779342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.779342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.779342 (E_RNA) where: Base-Base interactions energy: -713.814 where: short stacking energy: -300.696 Base-Backbone interact. energy: -1.412 local terms energy: -343.553793 where: bonds (distance) C4'-P energy: -60.033 bonds (distance) P-C4' energy: -66.655 flat angles C4'-P-C4' energy: -71.886 flat angles P-C4'-P energy: -50.859 tors. eta vs tors. theta energy: -94.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -996.836542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.836542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.836542 (E_RNA) where: Base-Base interactions energy: -684.766 where: short stacking energy: -298.217 Base-Backbone interact. energy: 2.675 local terms energy: -314.745736 where: bonds (distance) C4'-P energy: -56.833 bonds (distance) P-C4' energy: -63.370 flat angles C4'-P-C4' energy: -66.074 flat angles P-C4'-P energy: -42.714 tors. eta vs tors. theta energy: -85.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -891.619141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.619141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.619141 (E_RNA) where: Base-Base interactions energy: -588.630 where: short stacking energy: -245.687 Base-Backbone interact. energy: -0.968 local terms energy: -302.021302 where: bonds (distance) C4'-P energy: -50.930 bonds (distance) P-C4' energy: -67.107 flat angles C4'-P-C4' energy: -63.524 flat angles P-C4'-P energy: -44.070 tors. eta vs tors. theta energy: -76.390 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: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -926.590474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.590474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.590474 (E_RNA) where: Base-Base interactions energy: -619.412 where: short stacking energy: -280.313 Base-Backbone interact. energy: -0.423 local terms energy: -306.754826 where: bonds (distance) C4'-P energy: -46.968 bonds (distance) P-C4' energy: -63.532 flat angles C4'-P-C4' energy: -68.192 flat angles P-C4'-P energy: -43.353 tors. eta vs tors. theta energy: -84.711 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: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -806.958855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.958855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.958855 (E_RNA) where: Base-Base interactions energy: -529.551 where: short stacking energy: -204.664 Base-Backbone interact. energy: -0.634 local terms energy: -276.774172 where: bonds (distance) C4'-P energy: -55.062 bonds (distance) P-C4' energy: -58.618 flat angles C4'-P-C4' energy: -67.682 flat angles P-C4'-P energy: -35.632 tors. eta vs tors. theta energy: -59.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -609.276014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.276014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.276014 (E_RNA) where: Base-Base interactions energy: -384.870 where: short stacking energy: -158.815 Base-Backbone interact. energy: -1.535 local terms energy: -222.870284 where: bonds (distance) C4'-P energy: -58.318 bonds (distance) P-C4' energy: -51.379 flat angles C4'-P-C4' energy: -55.904 flat angles P-C4'-P energy: -28.796 tors. eta vs tors. theta energy: -28.473 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: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -492.466818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.466818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.466818 (E_RNA) where: Base-Base interactions energy: -300.221 where: short stacking energy: -139.478 Base-Backbone interact. energy: -1.523 local terms energy: -190.722820 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -58.469 flat angles C4'-P-C4' energy: -46.671 flat angles P-C4'-P energy: -23.002 tors. eta vs tors. theta energy: -8.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -454.405648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.405648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.405648 (E_RNA) where: Base-Base interactions energy: -255.844 where: short stacking energy: -136.044 Base-Backbone interact. energy: 2.043 local terms energy: -200.604293 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -53.353 flat angles C4'-P-C4' energy: -49.045 flat angles P-C4'-P energy: -39.087 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -253.297303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.297303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.297303 (E_RNA) where: Base-Base interactions energy: -94.476 where: short stacking energy: -69.857 Base-Backbone interact. energy: -1.178 local terms energy: -157.643035 where: bonds (distance) C4'-P energy: -47.494 bonds (distance) P-C4' energy: -55.854 flat angles C4'-P-C4' energy: -48.238 flat angles P-C4'-P energy: -19.540 tors. eta vs tors. theta energy: 13.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1089.086602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.086602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.086602 (E_RNA) where: Base-Base interactions energy: -734.140 where: short stacking energy: -316.049 Base-Backbone interact. energy: 0.258 local terms energy: -355.204037 where: bonds (distance) C4'-P energy: -64.227 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -71.885 flat angles P-C4'-P energy: -55.842 tors. eta vs tors. theta energy: -99.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1049.641047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.641047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.641047 (E_RNA) where: Base-Base interactions energy: -711.937 where: short stacking energy: -301.237 Base-Backbone interact. energy: -0.988 local terms energy: -336.716322 where: bonds (distance) C4'-P energy: -54.164 bonds (distance) P-C4' energy: -63.936 flat angles C4'-P-C4' energy: -68.023 flat angles P-C4'-P energy: -47.428 tors. eta vs tors. theta energy: -103.165 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: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1009.963029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.963029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.963029 (E_RNA) where: Base-Base interactions energy: -686.068 where: short stacking energy: -313.234 Base-Backbone interact. energy: -0.888 local terms energy: -323.006686 where: bonds (distance) C4'-P energy: -52.068 bonds (distance) P-C4' energy: -68.497 flat angles C4'-P-C4' energy: -66.574 flat angles P-C4'-P energy: -45.493 tors. eta vs tors. theta energy: -90.374 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: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -902.578140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.578140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.578140 (E_RNA) where: Base-Base interactions energy: -604.584 where: short stacking energy: -268.099 Base-Backbone interact. energy: -0.707 local terms energy: -297.287730 where: bonds (distance) C4'-P energy: -53.171 bonds (distance) P-C4' energy: -60.933 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -41.428 tors. eta vs tors. theta energy: -70.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -903.256643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.256643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.256643 (E_RNA) where: Base-Base interactions energy: -599.948 where: short stacking energy: -265.945 Base-Backbone interact. energy: -0.671 local terms energy: -302.638093 where: bonds (distance) C4'-P energy: -55.547 bonds (distance) P-C4' energy: -60.275 flat angles C4'-P-C4' energy: -58.286 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: -82.173 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: 10 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -807.991545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.991545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.991545 (E_RNA) where: Base-Base interactions energy: -542.494 where: short stacking energy: -228.934 Base-Backbone interact. energy: -0.479 local terms energy: -265.018037 where: bonds (distance) C4'-P energy: -53.050 bonds (distance) P-C4' energy: -55.781 flat angles C4'-P-C4' energy: -61.558 flat angles P-C4'-P energy: -34.018 tors. eta vs tors. theta energy: -60.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -622.188336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.188336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.188336 (E_RNA) where: Base-Base interactions energy: -385.014 where: short stacking energy: -182.156 Base-Backbone interact. energy: -3.085 local terms energy: -234.089448 where: bonds (distance) C4'-P energy: -64.900 bonds (distance) P-C4' energy: -47.152 flat angles C4'-P-C4' energy: -51.454 flat angles P-C4'-P energy: -24.203 tors. eta vs tors. theta energy: -46.380 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: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -493.839786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.839786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.839786 (E_RNA) where: Base-Base interactions energy: -274.668 where: short stacking energy: -115.053 Base-Backbone interact. energy: -1.827 local terms energy: -217.345028 where: bonds (distance) C4'-P energy: -58.075 bonds (distance) P-C4' energy: -57.283 flat angles C4'-P-C4' energy: -59.644 flat angles P-C4'-P energy: -32.963 tors. eta vs tors. theta energy: -9.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -449.164639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.164639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.164639 (E_RNA) where: Base-Base interactions energy: -261.962 where: short stacking energy: -113.003 Base-Backbone interact. energy: -1.644 local terms energy: -185.558174 where: bonds (distance) C4'-P energy: -53.924 bonds (distance) P-C4' energy: -49.368 flat angles C4'-P-C4' energy: -42.078 flat angles P-C4'-P energy: -27.351 tors. eta vs tors. theta energy: -12.837 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: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -246.164622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.164622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.164622 (E_RNA) where: Base-Base interactions energy: -78.267 where: short stacking energy: -59.168 Base-Backbone interact. energy: 0.316 local terms energy: -168.213466 where: bonds (distance) C4'-P energy: -52.453 bonds (distance) P-C4' energy: -64.371 flat angles C4'-P-C4' energy: -44.416 flat angles P-C4'-P energy: -21.611 tors. eta vs tors. theta energy: 14.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1089.082522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.082522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.082522 (E_RNA) where: Base-Base interactions energy: -744.360 where: short stacking energy: -322.825 Base-Backbone interact. energy: -0.569 local terms energy: -344.153192 where: bonds (distance) C4'-P energy: -53.271 bonds (distance) P-C4' energy: -67.929 flat angles C4'-P-C4' energy: -75.114 flat angles P-C4'-P energy: -46.503 tors. eta vs tors. theta energy: -101.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1051.759770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.759770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.759770 (E_RNA) where: Base-Base interactions energy: -705.925 where: short stacking energy: -314.359 Base-Backbone interact. energy: 1.494 local terms energy: -347.328886 where: bonds (distance) C4'-P energy: -61.181 bonds (distance) P-C4' energy: -63.627 flat angles C4'-P-C4' energy: -67.640 flat angles P-C4'-P energy: -55.720 tors. eta vs tors. theta energy: -99.161 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: 7 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1022.753651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.753651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.753651 (E_RNA) where: Base-Base interactions energy: -681.315 where: short stacking energy: -294.225 Base-Backbone interact. energy: -1.220 local terms energy: -340.218293 where: bonds (distance) C4'-P energy: -63.322 bonds (distance) P-C4' energy: -65.299 flat angles C4'-P-C4' energy: -67.820 flat angles P-C4'-P energy: -45.970 tors. eta vs tors. theta energy: -97.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -943.785349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.785349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.785349 (E_RNA) where: Base-Base interactions energy: -627.856 where: short stacking energy: -278.848 Base-Backbone interact. energy: 0.142 local terms energy: -316.071610 where: bonds (distance) C4'-P energy: -63.729 bonds (distance) P-C4' energy: -57.334 flat angles C4'-P-C4' energy: -63.005 flat angles P-C4'-P energy: -49.318 tors. eta vs tors. theta energy: -82.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -944.520060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.520060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.520060 (E_RNA) where: Base-Base interactions energy: -645.543 where: short stacking energy: -274.622 Base-Backbone interact. energy: -0.592 local terms energy: -298.384889 where: bonds (distance) C4'-P energy: -44.869 bonds (distance) P-C4' energy: -56.404 flat angles C4'-P-C4' energy: -64.276 flat angles P-C4'-P energy: -48.197 tors. eta vs tors. theta energy: -84.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -880.409889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.409889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.409889 (E_RNA) where: Base-Base interactions energy: -600.097 where: short stacking energy: -266.650 Base-Backbone interact. energy: 0.233 local terms energy: -280.545913 where: bonds (distance) C4'-P energy: -48.784 bonds (distance) P-C4' energy: -47.127 flat angles C4'-P-C4' energy: -58.478 flat angles P-C4'-P energy: -42.346 tors. eta vs tors. theta energy: -83.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -574.621886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.621886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.621886 (E_RNA) where: Base-Base interactions energy: -345.184 where: short stacking energy: -149.876 Base-Backbone interact. energy: 5.383 local terms energy: -234.820291 where: bonds (distance) C4'-P energy: -56.775 bonds (distance) P-C4' energy: -61.447 flat angles C4'-P-C4' energy: -51.033 flat angles P-C4'-P energy: -30.634 tors. eta vs tors. theta energy: -34.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -492.062062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.062062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.062062 (E_RNA) where: Base-Base interactions energy: -285.056 where: short stacking energy: -135.978 Base-Backbone interact. energy: -0.667 local terms energy: -206.339398 where: bonds (distance) C4'-P energy: -58.609 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -53.302 flat angles P-C4'-P energy: -23.210 tors. eta vs tors. theta energy: -3.174 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: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -462.166658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.166658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.166658 (E_RNA) where: Base-Base interactions energy: -248.494 where: short stacking energy: -122.548 Base-Backbone interact. energy: -1.853 local terms energy: -211.820159 where: bonds (distance) C4'-P energy: -47.847 bonds (distance) P-C4' energy: -51.093 flat angles C4'-P-C4' energy: -53.217 flat angles P-C4'-P energy: -43.887 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -257.993891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.993891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.993891 (E_RNA) where: Base-Base interactions energy: -94.493 where: short stacking energy: -60.357 Base-Backbone interact. energy: -0.711 local terms energy: -162.789847 where: bonds (distance) C4'-P energy: -50.620 bonds (distance) P-C4' energy: -60.022 flat angles C4'-P-C4' energy: -42.638 flat angles P-C4'-P energy: -18.054 tors. eta vs tors. theta energy: 8.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1066.687902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.687902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.687902 (E_RNA) where: Base-Base interactions energy: -718.795 where: short stacking energy: -319.488 Base-Backbone interact. energy: 0.358 local terms energy: -348.251296 where: bonds (distance) C4'-P energy: -66.230 bonds (distance) P-C4' energy: -66.755 flat angles C4'-P-C4' energy: -68.786 flat angles P-C4'-P energy: -47.221 tors. eta vs tors. theta energy: -99.259 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: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1051.881266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.881266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.881266 (E_RNA) where: Base-Base interactions energy: -712.618 where: short stacking energy: -308.847 Base-Backbone interact. energy: -1.270 local terms energy: -337.992763 where: bonds (distance) C4'-P energy: -59.846 bonds (distance) P-C4' energy: -57.733 flat angles C4'-P-C4' energy: -73.920 flat angles P-C4'-P energy: -49.719 tors. eta vs tors. theta energy: -96.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1038.163538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.163538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.163538 (E_RNA) where: Base-Base interactions energy: -702.081 where: short stacking energy: -314.748 Base-Backbone interact. energy: -1.888 local terms energy: -334.194502 where: bonds (distance) C4'-P energy: -61.721 bonds (distance) P-C4' energy: -62.532 flat angles C4'-P-C4' energy: -70.986 flat angles P-C4'-P energy: -39.571 tors. eta vs tors. theta energy: -99.385 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: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -927.175642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.175642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.175642 (E_RNA) where: Base-Base interactions energy: -600.924 where: short stacking energy: -263.976 Base-Backbone interact. energy: -0.808 local terms energy: -325.443377 where: bonds (distance) C4'-P energy: -53.712 bonds (distance) P-C4' energy: -69.443 flat angles C4'-P-C4' energy: -63.209 flat angles P-C4'-P energy: -49.529 tors. eta vs tors. theta energy: -89.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -921.540162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.540162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.540162 (E_RNA) where: Base-Base interactions energy: -628.127 where: short stacking energy: -281.324 Base-Backbone interact. energy: -1.493 local terms energy: -291.920863 where: bonds (distance) C4'-P energy: -58.092 bonds (distance) P-C4' energy: -49.806 flat angles C4'-P-C4' energy: -60.651 flat angles P-C4'-P energy: -34.360 tors. eta vs tors. theta energy: -89.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -874.747886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.747886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.747886 (E_RNA) where: Base-Base interactions energy: -581.386 where: short stacking energy: -252.595 Base-Backbone interact. energy: -0.719 local terms energy: -292.642873 where: bonds (distance) C4'-P energy: -54.020 bonds (distance) P-C4' energy: -56.175 flat angles C4'-P-C4' energy: -64.274 flat angles P-C4'-P energy: -40.800 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: 7, replica: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -594.274867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.274867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.274867 (E_RNA) where: Base-Base interactions energy: -358.421 where: short stacking energy: -169.041 Base-Backbone interact. energy: -0.034 local terms energy: -235.820001 where: bonds (distance) C4'-P energy: -45.251 bonds (distance) P-C4' energy: -69.508 flat angles C4'-P-C4' energy: -54.412 flat angles P-C4'-P energy: -32.261 tors. eta vs tors. theta energy: -34.389 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: 4 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -514.478998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.478998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.478998 (E_RNA) where: Base-Base interactions energy: -302.292 where: short stacking energy: -137.270 Base-Backbone interact. energy: 1.050 local terms energy: -213.237177 where: bonds (distance) C4'-P energy: -44.908 bonds (distance) P-C4' energy: -57.835 flat angles C4'-P-C4' energy: -57.813 flat angles P-C4'-P energy: -33.885 tors. eta vs tors. theta energy: -18.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -501.240417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.240417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.240417 (E_RNA) where: Base-Base interactions energy: -288.660 where: short stacking energy: -134.988 Base-Backbone interact. energy: -0.925 local terms energy: -211.655124 where: bonds (distance) C4'-P energy: -55.210 bonds (distance) P-C4' energy: -50.070 flat angles C4'-P-C4' energy: -50.673 flat angles P-C4'-P energy: -37.733 tors. eta vs tors. theta energy: -17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -249.416359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.416359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.416359 (E_RNA) where: Base-Base interactions energy: -95.054 where: short stacking energy: -53.932 Base-Backbone interact. energy: 1.418 local terms energy: -155.780638 where: bonds (distance) C4'-P energy: -48.421 bonds (distance) P-C4' energy: -45.486 flat angles C4'-P-C4' energy: -36.373 flat angles P-C4'-P energy: -40.767 tors. eta vs tors. theta energy: 15.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1061.394124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.394124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.394124 (E_RNA) where: Base-Base interactions energy: -723.775 where: short stacking energy: -304.860 Base-Backbone interact. energy: -0.750 local terms energy: -336.869480 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -69.782 flat angles P-C4'-P energy: -40.504 tors. eta vs tors. theta energy: -101.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1055.218206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.218206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.218206 (E_RNA) where: Base-Base interactions energy: -713.438 where: short stacking energy: -313.450 Base-Backbone interact. energy: -0.544 local terms energy: -341.235853 where: bonds (distance) C4'-P energy: -61.144 bonds (distance) P-C4' energy: -66.225 flat angles C4'-P-C4' energy: -71.966 flat angles P-C4'-P energy: -38.396 tors. eta vs tors. theta energy: -103.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1042.233583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.233583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.233583 (E_RNA) where: Base-Base interactions energy: -717.409 where: short stacking energy: -311.994 Base-Backbone interact. energy: -0.473 local terms energy: -324.351111 where: bonds (distance) C4'-P energy: -52.939 bonds (distance) P-C4' energy: -62.324 flat angles C4'-P-C4' energy: -72.059 flat angles P-C4'-P energy: -41.429 tors. eta vs tors. theta energy: -95.599 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: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -959.392022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.392022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.392022 (E_RNA) where: Base-Base interactions energy: -627.304 where: short stacking energy: -274.769 Base-Backbone interact. energy: -1.052 local terms energy: -331.035742 where: bonds (distance) C4'-P energy: -62.550 bonds (distance) P-C4' energy: -58.513 flat angles C4'-P-C4' energy: -66.480 flat angles P-C4'-P energy: -54.255 tors. eta vs tors. theta energy: -89.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -868.778587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.778587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.778587 (E_RNA) where: Base-Base interactions energy: -593.338 where: short stacking energy: -244.568 Base-Backbone interact. energy: -1.122 local terms energy: -274.318567 where: bonds (distance) C4'-P energy: -39.754 bonds (distance) P-C4' energy: -63.133 flat angles C4'-P-C4' energy: -52.683 flat angles P-C4'-P energy: -44.733 tors. eta vs tors. theta energy: -74.015 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: 10 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -842.980894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.980894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.980894 (E_RNA) where: Base-Base interactions energy: -563.948 where: short stacking energy: -254.511 Base-Backbone interact. energy: -1.056 local terms energy: -277.976676 where: bonds (distance) C4'-P energy: -53.197 bonds (distance) P-C4' energy: -53.050 flat angles C4'-P-C4' energy: -60.234 flat angles P-C4'-P energy: -38.620 tors. eta vs tors. theta energy: -72.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -607.201510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.201510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.201510 (E_RNA) where: Base-Base interactions energy: -370.758 where: short stacking energy: -176.390 Base-Backbone interact. energy: -0.620 local terms energy: -235.823770 where: bonds (distance) C4'-P energy: -46.657 bonds (distance) P-C4' energy: -59.772 flat angles C4'-P-C4' energy: -57.140 flat angles P-C4'-P energy: -32.652 tors. eta vs tors. theta energy: -39.602 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: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -582.591329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.591329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.591329 (E_RNA) where: Base-Base interactions energy: -360.658 where: short stacking energy: -171.863 Base-Backbone interact. energy: 0.813 local terms energy: -222.746016 where: bonds (distance) C4'-P energy: -49.751 bonds (distance) P-C4' energy: -48.775 flat angles C4'-P-C4' energy: -47.906 flat angles P-C4'-P energy: -40.494 tors. eta vs tors. theta energy: -35.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -510.613163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.613163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.613163 (E_RNA) where: Base-Base interactions energy: -315.125 where: short stacking energy: -157.175 Base-Backbone interact. energy: 1.296 local terms energy: -196.784057 where: bonds (distance) C4'-P energy: -50.264 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -40.639 flat angles P-C4'-P energy: -31.542 tors. eta vs tors. theta energy: -7.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -263.216877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.216877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.216877 (E_RNA) where: Base-Base interactions energy: -81.673 where: short stacking energy: -67.720 Base-Backbone interact. energy: 2.101 local terms energy: -183.644244 where: bonds (distance) C4'-P energy: -54.964 bonds (distance) P-C4' energy: -47.068 flat angles C4'-P-C4' energy: -56.505 flat angles P-C4'-P energy: -35.237 tors. eta vs tors. theta energy: 10.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1105.683549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.683549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.683549 (E_RNA) where: Base-Base interactions energy: -758.560 where: short stacking energy: -342.650 Base-Backbone interact. energy: -0.849 local terms energy: -346.274274 where: bonds (distance) C4'-P energy: -61.671 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -67.340 flat angles P-C4'-P energy: -45.078 tors. eta vs tors. theta energy: -104.917 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: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1070.042019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.042019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.042019 (E_RNA) where: Base-Base interactions energy: -726.670 where: short stacking energy: -320.053 Base-Backbone interact. energy: -1.450 local terms energy: -341.922652 where: bonds (distance) C4'-P energy: -63.355 bonds (distance) P-C4' energy: -68.249 flat angles C4'-P-C4' energy: -70.115 flat angles P-C4'-P energy: -39.904 tors. eta vs tors. theta energy: -100.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1024.679564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.679564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.679564 (E_RNA) where: Base-Base interactions energy: -676.676 where: short stacking energy: -299.698 Base-Backbone interact. energy: -0.629 local terms energy: -347.373776 where: bonds (distance) C4'-P energy: -69.123 bonds (distance) P-C4' energy: -67.560 flat angles C4'-P-C4' energy: -68.725 flat angles P-C4'-P energy: -45.458 tors. eta vs tors. theta energy: -96.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -979.261632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.261632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.261632 (E_RNA) where: Base-Base interactions energy: -663.249 where: short stacking energy: -285.357 Base-Backbone interact. energy: -0.620 local terms energy: -315.393265 where: bonds (distance) C4'-P energy: -45.708 bonds (distance) P-C4' energy: -60.178 flat angles C4'-P-C4' energy: -70.663 flat angles P-C4'-P energy: -50.782 tors. eta vs tors. theta energy: -88.062 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: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -914.886571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.886571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.886571 (E_RNA) where: Base-Base interactions energy: -612.881 where: short stacking energy: -258.474 Base-Backbone interact. energy: -0.786 local terms energy: -301.220093 where: bonds (distance) C4'-P energy: -56.466 bonds (distance) P-C4' energy: -70.181 flat angles C4'-P-C4' energy: -66.999 flat angles P-C4'-P energy: -38.266 tors. eta vs tors. theta energy: -69.309 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: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -850.356353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.356353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.356353 (E_RNA) where: Base-Base interactions energy: -579.104 where: short stacking energy: -252.679 Base-Backbone interact. energy: 1.444 local terms energy: -272.696256 where: bonds (distance) C4'-P energy: -51.482 bonds (distance) P-C4' energy: -52.101 flat angles C4'-P-C4' energy: -60.769 flat angles P-C4'-P energy: -39.199 tors. eta vs tors. theta energy: -69.146 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: 3 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -575.712891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.712891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.712891 (E_RNA) where: Base-Base interactions energy: -355.321 where: short stacking energy: -164.167 Base-Backbone interact. energy: 0.614 local terms energy: -221.005176 where: bonds (distance) C4'-P energy: -53.775 bonds (distance) P-C4' energy: -42.714 flat angles C4'-P-C4' energy: -46.667 flat angles P-C4'-P energy: -39.548 tors. eta vs tors. theta energy: -38.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -600.319674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.319674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.319674 (E_RNA) where: Base-Base interactions energy: -353.532 where: short stacking energy: -152.139 Base-Backbone interact. energy: -0.708 local terms energy: -246.079821 where: bonds (distance) C4'-P energy: -53.776 bonds (distance) P-C4' energy: -71.702 flat angles C4'-P-C4' energy: -43.034 flat angles P-C4'-P energy: -36.702 tors. eta vs tors. theta energy: -40.866 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: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -503.909341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.909341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.909341 (E_RNA) where: Base-Base interactions energy: -287.338 where: short stacking energy: -131.540 Base-Backbone interact. energy: -2.149 local terms energy: -214.421757 where: bonds (distance) C4'-P energy: -49.653 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -45.395 flat angles P-C4'-P energy: -30.638 tors. eta vs tors. theta energy: -32.008 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: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -269.555474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.555474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.555474 (E_RNA) where: Base-Base interactions energy: -90.045 where: short stacking energy: -69.459 Base-Backbone interact. energy: -0.635 local terms energy: -178.875012 where: bonds (distance) C4'-P energy: -56.817 bonds (distance) P-C4' energy: -58.768 flat angles C4'-P-C4' energy: -40.977 flat angles P-C4'-P energy: -25.143 tors. eta vs tors. theta energy: 2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1107.214753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.214753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.214753 (E_RNA) where: Base-Base interactions energy: -755.659 where: short stacking energy: -323.658 Base-Backbone interact. energy: -2.336 local terms energy: -349.219637 where: bonds (distance) C4'-P energy: -58.346 bonds (distance) P-C4' energy: -57.106 flat angles C4'-P-C4' energy: -75.901 flat angles P-C4'-P energy: -56.315 tors. eta vs tors. theta energy: -101.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1043.376303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.376303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.376303 (E_RNA) where: Base-Base interactions energy: -719.212 where: short stacking energy: -307.220 Base-Backbone interact. energy: -1.308 local terms energy: -322.857056 where: bonds (distance) C4'-P energy: -54.381 bonds (distance) P-C4' energy: -65.605 flat angles C4'-P-C4' energy: -62.674 flat angles P-C4'-P energy: -48.178 tors. eta vs tors. theta energy: -92.019 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: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1050.143587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.143587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.143587 (E_RNA) where: Base-Base interactions energy: -711.020 where: short stacking energy: -319.376 Base-Backbone interact. energy: -1.166 local terms energy: -337.957207 where: bonds (distance) C4'-P energy: -67.183 bonds (distance) P-C4' energy: -63.352 flat angles C4'-P-C4' energy: -58.863 flat angles P-C4'-P energy: -45.567 tors. eta vs tors. theta energy: -102.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -950.047929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.047929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.047929 (E_RNA) where: Base-Base interactions energy: -636.996 where: short stacking energy: -279.332 Base-Backbone interact. energy: -0.739 local terms energy: -312.313453 where: bonds (distance) C4'-P energy: -63.050 bonds (distance) P-C4' energy: -58.520 flat angles C4'-P-C4' energy: -60.369 flat angles P-C4'-P energy: -43.221 tors. eta vs tors. theta energy: -87.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -922.844422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.844422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.844422 (E_RNA) where: Base-Base interactions energy: -614.838 where: short stacking energy: -263.629 Base-Backbone interact. energy: -1.291 local terms energy: -306.715329 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -62.201 flat angles C4'-P-C4' energy: -56.992 flat angles P-C4'-P energy: -44.978 tors. eta vs tors. theta energy: -85.639 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: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -826.822796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.822796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.822796 (E_RNA) where: Base-Base interactions energy: -544.388 where: short stacking energy: -234.334 Base-Backbone interact. energy: -1.022 local terms energy: -281.413170 where: bonds (distance) C4'-P energy: -43.842 bonds (distance) P-C4' energy: -64.554 flat angles C4'-P-C4' energy: -71.271 flat angles P-C4'-P energy: -36.730 tors. eta vs tors. theta energy: -65.017 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: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -541.300744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.300744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.300744 (E_RNA) where: Base-Base interactions energy: -309.548 where: short stacking energy: -160.046 Base-Backbone interact. energy: -0.741 local terms energy: -231.011716 where: bonds (distance) C4'-P energy: -58.620 bonds (distance) P-C4' energy: -56.706 flat angles C4'-P-C4' energy: -54.551 flat angles P-C4'-P energy: -28.020 tors. eta vs tors. theta energy: -33.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -593.770944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.770944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.770944 (E_RNA) where: Base-Base interactions energy: -364.742 where: short stacking energy: -170.955 Base-Backbone interact. energy: 0.034 local terms energy: -229.062993 where: bonds (distance) C4'-P energy: -46.520 bonds (distance) P-C4' energy: -45.520 flat angles C4'-P-C4' energy: -53.062 flat angles P-C4'-P energy: -42.293 tors. eta vs tors. theta energy: -41.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -473.060908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.060908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.060908 (E_RNA) where: Base-Base interactions energy: -278.553 where: short stacking energy: -137.916 Base-Backbone interact. energy: -0.812 local terms energy: -193.696757 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -66.233 flat angles C4'-P-C4' energy: -45.085 flat angles P-C4'-P energy: -24.607 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -281.903427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.903427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.903427 (E_RNA) where: Base-Base interactions energy: -115.503 where: short stacking energy: -83.349 Base-Backbone interact. energy: 0.128 local terms energy: -166.528688 where: bonds (distance) C4'-P energy: -49.055 bonds (distance) P-C4' energy: -59.571 flat angles C4'-P-C4' energy: -52.132 flat angles P-C4'-P energy: -18.454 tors. eta vs tors. theta energy: 12.683 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: 450 Temperature: 0.900000 Total energy: -1098.799626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.799626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.799626 (E_RNA) where: Base-Base interactions energy: -757.948 where: short stacking energy: -321.963 Base-Backbone interact. energy: -1.478 local terms energy: -339.373254 where: bonds (distance) C4'-P energy: -60.549 bonds (distance) P-C4' energy: -58.536 flat angles C4'-P-C4' energy: -68.372 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: -99.224 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: 8 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1032.341146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.341146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.341146 (E_RNA) where: Base-Base interactions energy: -697.241 where: short stacking energy: -304.650 Base-Backbone interact. energy: -3.419 local terms energy: -331.681539 where: bonds (distance) C4'-P energy: -61.136 bonds (distance) P-C4' energy: -60.551 flat angles C4'-P-C4' energy: -66.579 flat angles P-C4'-P energy: -45.509 tors. eta vs tors. theta energy: -97.907 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: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1017.251590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.251590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.251590 (E_RNA) where: Base-Base interactions energy: -678.532 where: short stacking energy: -305.199 Base-Backbone interact. energy: -0.189 local terms energy: -338.529946 where: bonds (distance) C4'-P energy: -62.057 bonds (distance) P-C4' energy: -63.098 flat angles C4'-P-C4' energy: -71.242 flat angles P-C4'-P energy: -44.905 tors. eta vs tors. theta energy: -97.229 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: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1018.314937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.314937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.314937 (E_RNA) where: Base-Base interactions energy: -685.427 where: short stacking energy: -288.146 Base-Backbone interact. energy: -0.449 local terms energy: -332.439305 where: bonds (distance) C4'-P energy: -58.159 bonds (distance) P-C4' energy: -58.455 flat angles C4'-P-C4' energy: -72.214 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: -93.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -916.085418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.085418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.085418 (E_RNA) where: Base-Base interactions energy: -611.703 where: short stacking energy: -267.922 Base-Backbone interact. energy: -1.179 local terms energy: -303.203298 where: bonds (distance) C4'-P energy: -63.144 bonds (distance) P-C4' energy: -51.794 flat angles C4'-P-C4' energy: -63.808 flat angles P-C4'-P energy: -42.333 tors. eta vs tors. theta energy: -82.125 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: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -835.750719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.750719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.750719 (E_RNA) where: Base-Base interactions energy: -542.065 where: short stacking energy: -229.128 Base-Backbone interact. energy: -1.415 local terms energy: -292.270364 where: bonds (distance) C4'-P energy: -65.544 bonds (distance) P-C4' energy: -60.407 flat angles C4'-P-C4' energy: -62.755 flat angles P-C4'-P energy: -39.261 tors. eta vs tors. theta energy: -64.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -591.040580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.040580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.040580 (E_RNA) where: Base-Base interactions energy: -359.493 where: short stacking energy: -167.843 Base-Backbone interact. energy: -0.801 local terms energy: -230.746161 where: bonds (distance) C4'-P energy: -54.387 bonds (distance) P-C4' energy: -57.005 flat angles C4'-P-C4' energy: -53.076 flat angles P-C4'-P energy: -34.373 tors. eta vs tors. theta energy: -31.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -508.626829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.626829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.626829 (E_RNA) where: Base-Base interactions energy: -310.603 where: short stacking energy: -151.773 Base-Backbone interact. energy: 0.917 local terms energy: -198.941590 where: bonds (distance) C4'-P energy: -46.934 bonds (distance) P-C4' energy: -41.157 flat angles C4'-P-C4' energy: -46.724 flat angles P-C4'-P energy: -32.884 tors. eta vs tors. theta energy: -31.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -309.282195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.282195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.282195 (E_RNA) where: Base-Base interactions energy: -135.206 where: short stacking energy: -87.466 Base-Backbone interact. energy: 1.174 local terms energy: -175.250212 where: bonds (distance) C4'-P energy: -46.702 bonds (distance) P-C4' energy: -59.659 flat angles C4'-P-C4' energy: -48.468 flat angles P-C4'-P energy: -31.546 tors. eta vs tors. theta energy: 11.125 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: 450 Temperature: 1.350000 Total energy: -444.769980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.769980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.769980 (E_RNA) where: Base-Base interactions energy: -256.644 where: short stacking energy: -138.473 Base-Backbone interact. energy: -0.975 local terms energy: -187.151258 where: bonds (distance) C4'-P energy: -43.707 bonds (distance) P-C4' energy: -37.725 flat angles C4'-P-C4' energy: -49.884 flat angles P-C4'-P energy: -31.207 tors. eta vs tors. theta energy: -24.628 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: 1, replica: 7 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1102.322887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.322887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.322887 (E_RNA) where: Base-Base interactions energy: -744.119 where: short stacking energy: -329.337 Base-Backbone interact. energy: -0.516 local terms energy: -357.687825 where: bonds (distance) C4'-P energy: -68.501 bonds (distance) P-C4' energy: -60.208 flat angles C4'-P-C4' energy: -76.213 flat angles P-C4'-P energy: -51.835 tors. eta vs tors. theta energy: -100.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1030.221155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.221155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.221155 (E_RNA) where: Base-Base interactions energy: -688.458 where: short stacking energy: -324.260 Base-Backbone interact. energy: -1.124 local terms energy: -340.639205 where: bonds (distance) C4'-P energy: -65.890 bonds (distance) P-C4' energy: -60.669 flat angles C4'-P-C4' energy: -74.656 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -97.357 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: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -984.326197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.326197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.326197 (E_RNA) where: Base-Base interactions energy: -648.724 where: short stacking energy: -289.890 Base-Backbone interact. energy: 0.598 local terms energy: -336.200091 where: bonds (distance) C4'-P energy: -62.744 bonds (distance) P-C4' energy: -60.529 flat angles C4'-P-C4' energy: -65.198 flat angles P-C4'-P energy: -55.554 tors. eta vs tors. theta energy: -92.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1022.437416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.437416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.437416 (E_RNA) where: Base-Base interactions energy: -704.239 where: short stacking energy: -304.888 Base-Backbone interact. energy: -0.873 local terms energy: -317.325333 where: bonds (distance) C4'-P energy: -67.026 bonds (distance) P-C4' energy: -55.953 flat angles C4'-P-C4' energy: -60.364 flat angles P-C4'-P energy: -42.449 tors. eta vs tors. theta energy: -91.532 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: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -930.754171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.754171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.754171 (E_RNA) where: Base-Base interactions energy: -618.327 where: short stacking energy: -261.229 Base-Backbone interact. energy: -1.342 local terms energy: -311.085148 where: bonds (distance) C4'-P energy: -59.104 bonds (distance) P-C4' energy: -60.915 flat angles C4'-P-C4' energy: -62.633 flat angles P-C4'-P energy: -48.792 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: 6, replica: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -824.235219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.235219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.235219 (E_RNA) where: Base-Base interactions energy: -561.641 where: short stacking energy: -209.887 Base-Backbone interact. energy: -1.561 local terms energy: -261.033086 where: bonds (distance) C4'-P energy: -59.913 bonds (distance) P-C4' energy: -58.933 flat angles C4'-P-C4' energy: -62.796 flat angles P-C4'-P energy: -34.087 tors. eta vs tors. theta energy: -45.304 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: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -602.356490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.356490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.356490 (E_RNA) where: Base-Base interactions energy: -378.103 where: short stacking energy: -162.560 Base-Backbone interact. energy: -0.427 local terms energy: -223.826477 where: bonds (distance) C4'-P energy: -50.913 bonds (distance) P-C4' energy: -55.576 flat angles C4'-P-C4' energy: -49.448 flat angles P-C4'-P energy: -38.192 tors. eta vs tors. theta energy: -29.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -560.597347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.597347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.597347 (E_RNA) where: Base-Base interactions energy: -334.407 where: short stacking energy: -146.039 Base-Backbone interact. energy: 0.037 local terms energy: -226.227350 where: bonds (distance) C4'-P energy: -60.501 bonds (distance) P-C4' energy: -48.517 flat angles C4'-P-C4' energy: -61.532 flat angles P-C4'-P energy: -31.534 tors. eta vs tors. theta energy: -24.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -285.170147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.170147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.170147 (E_RNA) where: Base-Base interactions energy: -115.064 where: short stacking energy: -101.980 Base-Backbone interact. energy: 3.609 local terms energy: -173.715564 where: bonds (distance) C4'-P energy: -61.852 bonds (distance) P-C4' energy: -57.305 flat angles C4'-P-C4' energy: -33.974 flat angles P-C4'-P energy: -21.695 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: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -432.546770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.546770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.546770 (E_RNA) where: Base-Base interactions energy: -230.503 where: short stacking energy: -113.238 Base-Backbone interact. energy: 1.462 local terms energy: -203.506179 where: bonds (distance) C4'-P energy: -45.219 bonds (distance) P-C4' energy: -52.917 flat angles C4'-P-C4' energy: -45.285 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -16.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1077.504407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.504407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.504407 (E_RNA) where: Base-Base interactions energy: -741.372 where: short stacking energy: -316.215 Base-Backbone interact. energy: -1.748 local terms energy: -334.384244 where: bonds (distance) C4'-P energy: -62.337 bonds (distance) P-C4' energy: -60.736 flat angles C4'-P-C4' energy: -68.964 flat angles P-C4'-P energy: -47.630 tors. eta vs tors. theta energy: -94.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1044.089410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.089410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.089410 (E_RNA) where: Base-Base interactions energy: -717.951 where: short stacking energy: -319.716 Base-Backbone interact. energy: -2.682 local terms energy: -323.456638 where: bonds (distance) C4'-P energy: -53.869 bonds (distance) P-C4' energy: -62.584 flat angles C4'-P-C4' energy: -69.444 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: -95.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1040.829678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.829678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.829678 (E_RNA) where: Base-Base interactions energy: -710.720 where: short stacking energy: -307.701 Base-Backbone interact. energy: 0.885 local terms energy: -330.994167 where: bonds (distance) C4'-P energy: -54.134 bonds (distance) P-C4' energy: -60.170 flat angles C4'-P-C4' energy: -72.739 flat angles P-C4'-P energy: -38.725 tors. eta vs tors. theta energy: -105.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -979.161412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.161412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.161412 (E_RNA) where: Base-Base interactions energy: -661.132 where: short stacking energy: -290.723 Base-Backbone interact. energy: -0.227 local terms energy: -317.802749 where: bonds (distance) C4'-P energy: -58.438 bonds (distance) P-C4' energy: -61.256 flat angles C4'-P-C4' energy: -66.096 flat angles P-C4'-P energy: -47.551 tors. eta vs tors. theta energy: -84.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -944.445084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.445084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.445084 (E_RNA) where: Base-Base interactions energy: -630.163 where: short stacking energy: -275.430 Base-Backbone interact. energy: -0.617 local terms energy: -313.664748 where: bonds (distance) C4'-P energy: -55.315 bonds (distance) P-C4' energy: -62.751 flat angles C4'-P-C4' energy: -66.162 flat angles P-C4'-P energy: -44.327 tors. eta vs tors. theta energy: -85.111 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: 6, replica: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -818.698210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.698210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.698210 (E_RNA) where: Base-Base interactions energy: -557.090 where: short stacking energy: -255.499 Base-Backbone interact. energy: 1.109 local terms energy: -262.718010 where: bonds (distance) C4'-P energy: -40.634 bonds (distance) P-C4' energy: -52.535 flat angles C4'-P-C4' energy: -59.498 flat angles P-C4'-P energy: -40.924 tors. eta vs tors. theta energy: -69.127 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: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -630.979457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.979457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.979457 (E_RNA) where: Base-Base interactions energy: -365.400 where: short stacking energy: -177.599 Base-Backbone interact. energy: -0.581 local terms energy: -264.998049 where: bonds (distance) C4'-P energy: -55.832 bonds (distance) P-C4' energy: -62.899 flat angles C4'-P-C4' energy: -57.331 flat angles P-C4'-P energy: -44.923 tors. eta vs tors. theta energy: -44.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -540.303455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.303455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.303455 (E_RNA) where: Base-Base interactions energy: -304.662 where: short stacking energy: -154.242 Base-Backbone interact. energy: -2.090 local terms energy: -233.550725 where: bonds (distance) C4'-P energy: -58.914 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -60.794 flat angles P-C4'-P energy: -30.349 tors. eta vs tors. theta energy: -25.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -453.145086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.145086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.145086 (E_RNA) where: Base-Base interactions energy: -242.129 where: short stacking energy: -124.874 Base-Backbone interact. energy: 0.813 local terms energy: -211.829205 where: bonds (distance) C4'-P energy: -59.566 bonds (distance) P-C4' energy: -53.877 flat angles C4'-P-C4' energy: -48.994 flat angles P-C4'-P energy: -37.788 tors. eta vs tors. theta energy: -11.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -277.784819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.784819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.784819 (E_RNA) where: Base-Base interactions energy: -102.090 where: short stacking energy: -90.025 Base-Backbone interact. energy: -0.236 local terms energy: -175.459292 where: bonds (distance) C4'-P energy: -61.016 bonds (distance) P-C4' energy: -52.708 flat angles C4'-P-C4' energy: -34.765 flat angles P-C4'-P energy: -24.772 tors. eta vs tors. theta energy: -2.199 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: 1, replica: 7 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1087.676046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.676046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.676046 (E_RNA) where: Base-Base interactions energy: -733.136 where: short stacking energy: -319.199 Base-Backbone interact. energy: -0.674 local terms energy: -353.865595 where: bonds (distance) C4'-P energy: -65.954 bonds (distance) P-C4' energy: -68.500 flat angles C4'-P-C4' energy: -73.082 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -98.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1026.534697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.534697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.534697 (E_RNA) where: Base-Base interactions energy: -686.184 where: short stacking energy: -292.902 Base-Backbone interact. energy: -1.632 local terms energy: -338.718660 where: bonds (distance) C4'-P energy: -50.777 bonds (distance) P-C4' energy: -62.176 flat angles C4'-P-C4' energy: -73.659 flat angles P-C4'-P energy: -54.362 tors. eta vs tors. theta energy: -97.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1041.290430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.290430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.290430 (E_RNA) where: Base-Base interactions energy: -713.956 where: short stacking energy: -313.854 Base-Backbone interact. energy: -0.549 local terms energy: -326.785220 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -59.879 flat angles C4'-P-C4' energy: -64.180 flat angles P-C4'-P energy: -50.597 tors. eta vs tors. theta energy: -91.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -959.111084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.111084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.111084 (E_RNA) where: Base-Base interactions energy: -662.688 where: short stacking energy: -312.815 Base-Backbone interact. energy: 2.069 local terms energy: -298.492079 where: bonds (distance) C4'-P energy: -52.863 bonds (distance) P-C4' energy: -57.219 flat angles C4'-P-C4' energy: -60.644 flat angles P-C4'-P energy: -36.752 tors. eta vs tors. theta energy: -91.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -938.129307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.129307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.129307 (E_RNA) where: Base-Base interactions energy: -630.285 where: short stacking energy: -274.291 Base-Backbone interact. energy: 1.124 local terms energy: -308.968612 where: bonds (distance) C4'-P energy: -68.052 bonds (distance) P-C4' energy: -60.651 flat angles C4'-P-C4' energy: -59.278 flat angles P-C4'-P energy: -40.619 tors. eta vs tors. theta energy: -80.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -805.164882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.164882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.164882 (E_RNA) where: Base-Base interactions energy: -526.378 where: short stacking energy: -214.958 Base-Backbone interact. energy: -1.880 local terms energy: -276.907047 where: bonds (distance) C4'-P energy: -55.993 bonds (distance) P-C4' energy: -53.444 flat angles C4'-P-C4' energy: -64.153 flat angles P-C4'-P energy: -40.542 tors. eta vs tors. theta energy: -62.775 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: 7, replica: 6 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -577.878607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.878607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.878607 (E_RNA) where: Base-Base interactions energy: -328.419 where: short stacking energy: -159.928 Base-Backbone interact. energy: 0.086 local terms energy: -249.545827 where: bonds (distance) C4'-P energy: -64.559 bonds (distance) P-C4' energy: -59.514 flat angles C4'-P-C4' energy: -59.667 flat angles P-C4'-P energy: -34.057 tors. eta vs tors. theta energy: -31.748 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: 3 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -539.311199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.311199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.311199 (E_RNA) where: Base-Base interactions energy: -330.719 where: short stacking energy: -153.246 Base-Backbone interact. energy: -1.909 local terms energy: -206.682857 where: bonds (distance) C4'-P energy: -39.672 bonds (distance) P-C4' energy: -52.258 flat angles C4'-P-C4' energy: -60.784 flat angles P-C4'-P energy: -25.191 tors. eta vs tors. theta energy: -28.777 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: 4 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -470.881920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.881920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.881920 (E_RNA) where: Base-Base interactions energy: -263.464 where: short stacking energy: -125.413 Base-Backbone interact. energy: 0.134 local terms energy: -207.551582 where: bonds (distance) C4'-P energy: -56.933 bonds (distance) P-C4' energy: -48.341 flat angles C4'-P-C4' energy: -50.848 flat angles P-C4'-P energy: -31.036 tors. eta vs tors. theta energy: -20.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -252.906473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.906473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.906473 (E_RNA) where: Base-Base interactions energy: -81.186 where: short stacking energy: -74.110 Base-Backbone interact. energy: 0.005 local terms energy: -171.726274 where: bonds (distance) C4'-P energy: -53.692 bonds (distance) P-C4' energy: -59.825 flat angles C4'-P-C4' energy: -38.366 flat angles P-C4'-P energy: -23.831 tors. eta vs tors. theta energy: 3.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1094.504682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.504682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.504682 (E_RNA) where: Base-Base interactions energy: -753.792 where: short stacking energy: -324.606 Base-Backbone interact. energy: -1.011 local terms energy: -339.700959 where: bonds (distance) C4'-P energy: -57.012 bonds (distance) P-C4' energy: -62.376 flat angles C4'-P-C4' energy: -64.004 flat angles P-C4'-P energy: -55.948 tors. eta vs tors. theta energy: -100.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1040.034799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.034799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.034799 (E_RNA) where: Base-Base interactions energy: -710.820 where: short stacking energy: -309.570 Base-Backbone interact. energy: -1.530 local terms energy: -327.685329 where: bonds (distance) C4'-P energy: -49.689 bonds (distance) P-C4' energy: -53.973 flat angles C4'-P-C4' energy: -81.859 flat angles P-C4'-P energy: -41.727 tors. eta vs tors. theta energy: -100.438 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: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1053.491318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.491318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.491318 (E_RNA) where: Base-Base interactions energy: -728.102 where: short stacking energy: -321.054 Base-Backbone interact. energy: -0.530 local terms energy: -324.859451 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -67.150 flat angles C4'-P-C4' energy: -61.678 flat angles P-C4'-P energy: -37.794 tors. eta vs tors. theta energy: -101.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -965.191115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.191115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.191115 (E_RNA) where: Base-Base interactions energy: -648.053 where: short stacking energy: -281.624 Base-Backbone interact. energy: -0.416 local terms energy: -316.721556 where: bonds (distance) C4'-P energy: -57.818 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -61.183 flat angles P-C4'-P energy: -49.009 tors. eta vs tors. theta energy: -85.501 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: 5, replica: 5 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -937.412582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.412582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.412582 (E_RNA) where: Base-Base interactions energy: -636.769 where: short stacking energy: -268.702 Base-Backbone interact. energy: -0.076 local terms energy: -300.567455 where: bonds (distance) C4'-P energy: -46.342 bonds (distance) P-C4' energy: -51.689 flat angles C4'-P-C4' energy: -71.973 flat angles P-C4'-P energy: -39.901 tors. eta vs tors. theta energy: -90.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -791.384073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.384073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.384073 (E_RNA) where: Base-Base interactions energy: -520.098 where: short stacking energy: -222.284 Base-Backbone interact. energy: 1.089 local terms energy: -272.374826 where: bonds (distance) C4'-P energy: -59.078 bonds (distance) P-C4' energy: -67.031 flat angles C4'-P-C4' energy: -50.336 flat angles P-C4'-P energy: -40.270 tors. eta vs tors. theta energy: -55.660 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: 6 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -569.710272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.710272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.710272 (E_RNA) where: Base-Base interactions energy: -329.987 where: short stacking energy: -168.871 Base-Backbone interact. energy: -1.084 local terms energy: -238.638514 where: bonds (distance) C4'-P energy: -55.237 bonds (distance) P-C4' energy: -65.902 flat angles C4'-P-C4' energy: -57.664 flat angles P-C4'-P energy: -18.569 tors. eta vs tors. theta energy: -41.266 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: 8, replica: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -508.826001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.826001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.826001 (E_RNA) where: Base-Base interactions energy: -293.137 where: short stacking energy: -129.518 Base-Backbone interact. energy: 3.084 local terms energy: -218.772749 where: bonds (distance) C4'-P energy: -55.292 bonds (distance) P-C4' energy: -62.031 flat angles C4'-P-C4' energy: -48.171 flat angles P-C4'-P energy: -31.376 tors. eta vs tors. theta energy: -21.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -460.691982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.691982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.691982 (E_RNA) where: Base-Base interactions energy: -241.877 where: short stacking energy: -119.764 Base-Backbone interact. energy: 2.705 local terms energy: -221.520705 where: bonds (distance) C4'-P energy: -58.916 bonds (distance) P-C4' energy: -56.995 flat angles C4'-P-C4' energy: -54.108 flat angles P-C4'-P energy: -31.862 tors. eta vs tors. theta energy: -19.640 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: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -268.740466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.740466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.740466 (E_RNA) where: Base-Base interactions energy: -114.244 where: short stacking energy: -97.447 Base-Backbone interact. energy: -0.893 local terms energy: -153.603841 where: bonds (distance) C4'-P energy: -51.124 bonds (distance) P-C4' energy: -45.036 flat angles C4'-P-C4' energy: -31.766 flat angles P-C4'-P energy: -16.750 tors. eta vs tors. theta energy: -8.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1084.614831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.614831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.614831 (E_RNA) where: Base-Base interactions energy: -737.254 where: short stacking energy: -318.950 Base-Backbone interact. energy: 2.012 local terms energy: -349.372379 where: bonds (distance) C4'-P energy: -63.432 bonds (distance) P-C4' energy: -58.326 flat angles C4'-P-C4' energy: -76.239 flat angles P-C4'-P energy: -51.811 tors. eta vs tors. theta energy: -99.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1061.280513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.280513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.280513 (E_RNA) where: Base-Base interactions energy: -718.275 where: short stacking energy: -318.589 Base-Backbone interact. energy: -0.858 local terms energy: -342.147751 where: bonds (distance) C4'-P energy: -58.988 bonds (distance) P-C4' energy: -67.741 flat angles C4'-P-C4' energy: -70.474 flat angles P-C4'-P energy: -47.737 tors. eta vs tors. theta energy: -97.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1032.006956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.006956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.006956 (E_RNA) where: Base-Base interactions energy: -697.591 where: short stacking energy: -296.731 Base-Backbone interact. energy: 1.747 local terms energy: -336.162752 where: bonds (distance) C4'-P energy: -64.385 bonds (distance) P-C4' energy: -68.225 flat angles C4'-P-C4' energy: -62.407 flat angles P-C4'-P energy: -43.902 tors. eta vs tors. theta energy: -97.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -967.735889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.735889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.735889 (E_RNA) where: Base-Base interactions energy: -648.269 where: short stacking energy: -281.753 Base-Backbone interact. energy: -0.605 local terms energy: -318.862056 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -62.373 flat angles C4'-P-C4' energy: -67.378 flat angles P-C4'-P energy: -46.646 tors. eta vs tors. theta energy: -84.358 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: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -957.044608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.044608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.044608 (E_RNA) where: Base-Base interactions energy: -654.390 where: short stacking energy: -273.426 Base-Backbone interact. energy: -0.494 local terms energy: -302.160374 where: bonds (distance) C4'-P energy: -55.880 bonds (distance) P-C4' energy: -57.688 flat angles C4'-P-C4' energy: -58.157 flat angles P-C4'-P energy: -44.070 tors. eta vs tors. theta energy: -86.365 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: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -803.266475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.266475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.266475 (E_RNA) where: Base-Base interactions energy: -533.325 where: short stacking energy: -229.590 Base-Backbone interact. energy: 0.922 local terms energy: -270.864008 where: bonds (distance) C4'-P energy: -54.958 bonds (distance) P-C4' energy: -54.536 flat angles C4'-P-C4' energy: -63.540 flat angles P-C4'-P energy: -33.674 tors. eta vs tors. theta energy: -64.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -562.123040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.123040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.123040 (E_RNA) where: Base-Base interactions energy: -299.586 where: short stacking energy: -152.151 Base-Backbone interact. energy: -0.939 local terms energy: -261.598161 where: bonds (distance) C4'-P energy: -59.441 bonds (distance) P-C4' energy: -58.971 flat angles C4'-P-C4' energy: -66.963 flat angles P-C4'-P energy: -37.681 tors. eta vs tors. theta energy: -38.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -505.034175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.034175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.034175 (E_RNA) where: Base-Base interactions energy: -286.497 where: short stacking energy: -149.201 Base-Backbone interact. energy: -1.214 local terms energy: -217.322597 where: bonds (distance) C4'-P energy: -46.681 bonds (distance) P-C4' energy: -54.184 flat angles C4'-P-C4' energy: -58.633 flat angles P-C4'-P energy: -38.206 tors. eta vs tors. theta energy: -19.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -453.178398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.178398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.178398 (E_RNA) where: Base-Base interactions energy: -237.720 where: short stacking energy: -110.837 Base-Backbone interact. energy: 1.223 local terms energy: -216.681452 where: bonds (distance) C4'-P energy: -61.374 bonds (distance) P-C4' energy: -63.657 flat angles C4'-P-C4' energy: -47.149 flat angles P-C4'-P energy: -32.413 tors. eta vs tors. theta energy: -12.089 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: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -272.753898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.753898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.753898 (E_RNA) where: Base-Base interactions energy: -104.883 where: short stacking energy: -81.582 Base-Backbone interact. energy: 2.882 local terms energy: -170.752721 where: bonds (distance) C4'-P energy: -54.434 bonds (distance) P-C4' energy: -52.021 flat angles C4'-P-C4' energy: -44.514 flat angles P-C4'-P energy: -23.710 tors. eta vs tors. theta energy: 3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1102.312502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.312502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.312502 (E_RNA) where: Base-Base interactions energy: -753.807 where: short stacking energy: -330.975 Base-Backbone interact. energy: -2.012 local terms energy: -346.493477 where: bonds (distance) C4'-P energy: -63.867 bonds (distance) P-C4' energy: -58.839 flat angles C4'-P-C4' energy: -75.098 flat angles P-C4'-P energy: -50.450 tors. eta vs tors. theta energy: -98.238 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: 2, replica: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1055.807446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.807446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.807446 (E_RNA) where: Base-Base interactions energy: -723.649 where: short stacking energy: -323.688 Base-Backbone interact. energy: -0.438 local terms energy: -331.720565 where: bonds (distance) C4'-P energy: -58.382 bonds (distance) P-C4' energy: -64.419 flat angles C4'-P-C4' energy: -64.200 flat angles P-C4'-P energy: -41.624 tors. eta vs tors. theta energy: -103.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1017.845531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.845531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.845531 (E_RNA) where: Base-Base interactions energy: -685.848 where: short stacking energy: -288.980 Base-Backbone interact. energy: -1.116 local terms energy: -330.882277 where: bonds (distance) C4'-P energy: -55.753 bonds (distance) P-C4' energy: -66.175 flat angles C4'-P-C4' energy: -70.841 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: -97.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -956.755639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.755639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.755639 (E_RNA) where: Base-Base interactions energy: -636.781 where: short stacking energy: -268.729 Base-Backbone interact. energy: -0.683 local terms energy: -319.292095 where: bonds (distance) C4'-P energy: -66.870 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -61.355 flat angles P-C4'-P energy: -45.103 tors. eta vs tors. theta energy: -84.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -943.461648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.461648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.461648 (E_RNA) where: Base-Base interactions energy: -647.028 where: short stacking energy: -267.364 Base-Backbone interact. energy: 0.051 local terms energy: -296.483959 where: bonds (distance) C4'-P energy: -48.123 bonds (distance) P-C4' energy: -53.574 flat angles C4'-P-C4' energy: -64.129 flat angles P-C4'-P energy: -42.449 tors. eta vs tors. theta energy: -88.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -742.229289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.229289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.229289 (E_RNA) where: Base-Base interactions energy: -471.503 where: short stacking energy: -220.555 Base-Backbone interact. energy: -0.982 local terms energy: -269.744451 where: bonds (distance) C4'-P energy: -60.263 bonds (distance) P-C4' energy: -61.396 flat angles C4'-P-C4' energy: -58.519 flat angles P-C4'-P energy: -32.579 tors. eta vs tors. theta energy: -56.989 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: 456 Temperature: 1.200000 Total energy: -565.602099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.602099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.602099 (E_RNA) where: Base-Base interactions energy: -350.658 where: short stacking energy: -154.791 Base-Backbone interact. energy: -0.852 local terms energy: -214.091375 where: bonds (distance) C4'-P energy: -54.426 bonds (distance) P-C4' energy: -52.991 flat angles C4'-P-C4' energy: -46.930 flat angles P-C4'-P energy: -34.859 tors. eta vs tors. theta energy: -24.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -507.141157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.141157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.141157 (E_RNA) where: Base-Base interactions energy: -294.659 where: short stacking energy: -145.970 Base-Backbone interact. energy: 1.794 local terms energy: -214.275606 where: bonds (distance) C4'-P energy: -49.408 bonds (distance) P-C4' energy: -48.517 flat angles C4'-P-C4' energy: -58.518 flat angles P-C4'-P energy: -32.198 tors. eta vs tors. theta energy: -25.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -464.390113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.390113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.390113 (E_RNA) where: Base-Base interactions energy: -247.964 where: short stacking energy: -133.643 Base-Backbone interact. energy: 2.290 local terms energy: -218.715789 where: bonds (distance) C4'-P energy: -48.980 bonds (distance) P-C4' energy: -62.799 flat angles C4'-P-C4' energy: -49.395 flat angles P-C4'-P energy: -30.884 tors. eta vs tors. theta energy: -26.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -285.287292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.287292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.287292 (E_RNA) where: Base-Base interactions energy: -109.678 where: short stacking energy: -77.610 Base-Backbone interact. energy: -0.602 local terms energy: -175.007091 where: bonds (distance) C4'-P energy: -47.878 bonds (distance) P-C4' energy: -54.402 flat angles C4'-P-C4' energy: -39.263 flat angles P-C4'-P energy: -28.230 tors. eta vs tors. theta energy: -5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1133.737292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.737292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.737292 (E_RNA) where: Base-Base interactions energy: -771.964 where: short stacking energy: -330.961 Base-Backbone interact. energy: -0.795 local terms energy: -360.978293 where: bonds (distance) C4'-P energy: -61.410 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -73.638 flat angles P-C4'-P energy: -47.856 tors. eta vs tors. theta energy: -109.659 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: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1041.294965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.294965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.294965 (E_RNA) where: Base-Base interactions energy: -689.191 where: short stacking energy: -307.647 Base-Backbone interact. energy: -1.239 local terms energy: -350.865532 where: bonds (distance) C4'-P energy: -70.214 bonds (distance) P-C4' energy: -66.991 flat angles C4'-P-C4' energy: -72.354 flat angles P-C4'-P energy: -42.717 tors. eta vs tors. theta energy: -98.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1020.651660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.651660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.651660 (E_RNA) where: Base-Base interactions energy: -689.571 where: short stacking energy: -283.720 Base-Backbone interact. energy: 1.163 local terms energy: -332.243791 where: bonds (distance) C4'-P energy: -64.868 bonds (distance) P-C4' energy: -62.463 flat angles C4'-P-C4' energy: -63.424 flat angles P-C4'-P energy: -46.717 tors. eta vs tors. theta energy: -94.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -930.869197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.869197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.869197 (E_RNA) where: Base-Base interactions energy: -610.738 where: short stacking energy: -261.263 Base-Backbone interact. energy: -0.184 local terms energy: -319.947890 where: bonds (distance) C4'-P energy: -50.837 bonds (distance) P-C4' energy: -66.269 flat angles C4'-P-C4' energy: -72.908 flat angles P-C4'-P energy: -48.882 tors. eta vs tors. theta energy: -81.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -925.962294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.962294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.962294 (E_RNA) where: Base-Base interactions energy: -634.745 where: short stacking energy: -279.254 Base-Backbone interact. energy: 0.060 local terms energy: -291.277929 where: bonds (distance) C4'-P energy: -51.588 bonds (distance) P-C4' energy: -44.948 flat angles C4'-P-C4' energy: -69.558 flat angles P-C4'-P energy: -36.384 tors. eta vs tors. theta energy: -88.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -779.885001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.885001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.885001 (E_RNA) where: Base-Base interactions energy: -501.535 where: short stacking energy: -222.873 Base-Backbone interact. energy: -0.446 local terms energy: -277.903930 where: bonds (distance) C4'-P energy: -61.409 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -62.576 flat angles P-C4'-P energy: -33.579 tors. eta vs tors. theta energy: -59.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -576.099693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.099693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.099693 (E_RNA) where: Base-Base interactions energy: -334.067 where: short stacking energy: -169.559 Base-Backbone interact. energy: -0.542 local terms energy: -241.490831 where: bonds (distance) C4'-P energy: -53.213 bonds (distance) P-C4' energy: -57.518 flat angles C4'-P-C4' energy: -49.428 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -37.602 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: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -536.863331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.863331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.863331 (E_RNA) where: Base-Base interactions energy: -314.895 where: short stacking energy: -164.477 Base-Backbone interact. energy: -0.859 local terms energy: -221.109337 where: bonds (distance) C4'-P energy: -47.764 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -54.372 flat angles P-C4'-P energy: -27.493 tors. eta vs tors. theta energy: -34.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -475.023300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.023300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.023300 (E_RNA) where: Base-Base interactions energy: -270.568 where: short stacking energy: -147.392 Base-Backbone interact. energy: 0.962 local terms energy: -205.417263 where: bonds (distance) C4'-P energy: -44.816 bonds (distance) P-C4' energy: -61.656 flat angles C4'-P-C4' energy: -55.098 flat angles P-C4'-P energy: -28.153 tors. eta vs tors. theta energy: -15.694 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: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -257.225237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.225237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.225237 (E_RNA) where: Base-Base interactions energy: -105.742 where: short stacking energy: -68.431 Base-Backbone interact. energy: 2.253 local terms energy: -153.736701 where: bonds (distance) C4'-P energy: -49.560 bonds (distance) P-C4' energy: -52.438 flat angles C4'-P-C4' energy: -40.009 flat angles P-C4'-P energy: -30.338 tors. eta vs tors. theta energy: 18.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1116.639411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.639411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.639411 (E_RNA) where: Base-Base interactions energy: -759.685 where: short stacking energy: -330.809 Base-Backbone interact. energy: 0.105 local terms energy: -357.059388 where: bonds (distance) C4'-P energy: -59.859 bonds (distance) P-C4' energy: -65.538 flat angles C4'-P-C4' energy: -74.992 flat angles P-C4'-P energy: -52.000 tors. eta vs tors. theta energy: -104.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1040.289988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.289988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.289988 (E_RNA) where: Base-Base interactions energy: -710.546 where: short stacking energy: -311.540 Base-Backbone interact. energy: -0.723 local terms energy: -329.021348 where: bonds (distance) C4'-P energy: -48.398 bonds (distance) P-C4' energy: -66.316 flat angles C4'-P-C4' energy: -65.410 flat angles P-C4'-P energy: -45.965 tors. eta vs tors. theta energy: -102.933 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: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -999.108478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.108478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.108478 (E_RNA) where: Base-Base interactions energy: -672.650 where: short stacking energy: -294.192 Base-Backbone interact. energy: -0.074 local terms energy: -326.384988 where: bonds (distance) C4'-P energy: -59.062 bonds (distance) P-C4' energy: -57.576 flat angles C4'-P-C4' energy: -74.417 flat angles P-C4'-P energy: -48.749 tors. eta vs tors. theta energy: -86.581 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: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -951.331635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.331635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.331635 (E_RNA) where: Base-Base interactions energy: -630.174 where: short stacking energy: -283.437 Base-Backbone interact. energy: -0.639 local terms energy: -320.518902 where: bonds (distance) C4'-P energy: -57.699 bonds (distance) P-C4' energy: -62.943 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -43.221 tors. eta vs tors. theta energy: -84.100 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: 5 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -895.971341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.971341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.971341 (E_RNA) where: Base-Base interactions energy: -609.404 where: short stacking energy: -265.323 Base-Backbone interact. energy: -0.999 local terms energy: -285.567832 where: bonds (distance) C4'-P energy: -49.623 bonds (distance) P-C4' energy: -51.369 flat angles C4'-P-C4' energy: -61.138 flat angles P-C4'-P energy: -36.007 tors. eta vs tors. theta energy: -87.431 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: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -698.088319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.088319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.088319 (E_RNA) where: Base-Base interactions energy: -441.092 where: short stacking energy: -194.614 Base-Backbone interact. energy: -1.421 local terms energy: -255.575550 where: bonds (distance) C4'-P energy: -59.194 bonds (distance) P-C4' energy: -51.332 flat angles C4'-P-C4' energy: -62.935 flat angles P-C4'-P energy: -34.556 tors. eta vs tors. theta energy: -47.558 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: 458 Temperature: 1.200000 Total energy: -558.739525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.739525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.739525 (E_RNA) where: Base-Base interactions energy: -324.366 where: short stacking energy: -153.914 Base-Backbone interact. energy: 0.007 local terms energy: -234.380323 where: bonds (distance) C4'-P energy: -50.449 bonds (distance) P-C4' energy: -58.891 flat angles C4'-P-C4' energy: -63.121 flat angles P-C4'-P energy: -39.921 tors. eta vs tors. theta energy: -21.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -547.582001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.582001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.582001 (E_RNA) where: Base-Base interactions energy: -332.380 where: short stacking energy: -163.312 Base-Backbone interact. energy: -0.208 local terms energy: -214.994124 where: bonds (distance) C4'-P energy: -46.523 bonds (distance) P-C4' energy: -51.983 flat angles C4'-P-C4' energy: -50.975 flat angles P-C4'-P energy: -33.841 tors. eta vs tors. theta energy: -31.672 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: 9, replica: 4 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -461.260633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.260633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.260633 (E_RNA) where: Base-Base interactions energy: -259.130 where: short stacking energy: -133.176 Base-Backbone interact. energy: -1.598 local terms energy: -200.532196 where: bonds (distance) C4'-P energy: -51.463 bonds (distance) P-C4' energy: -47.079 flat angles C4'-P-C4' energy: -43.383 flat angles P-C4'-P energy: -30.326 tors. eta vs tors. theta energy: -28.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -244.361649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.361649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.361649 (E_RNA) where: Base-Base interactions energy: -91.393 where: short stacking energy: -81.591 Base-Backbone interact. energy: 1.027 local terms energy: -153.995627 where: bonds (distance) C4'-P energy: -55.431 bonds (distance) P-C4' energy: -44.575 flat angles C4'-P-C4' energy: -50.175 flat angles P-C4'-P energy: -14.335 tors. eta vs tors. theta energy: 10.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1134.255960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.255960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.255960 (E_RNA) where: Base-Base interactions energy: -772.742 where: short stacking energy: -338.298 Base-Backbone interact. energy: -0.669 local terms energy: -360.844775 where: bonds (distance) C4'-P energy: -60.187 bonds (distance) P-C4' energy: -68.700 flat angles C4'-P-C4' energy: -74.890 flat angles P-C4'-P energy: -53.765 tors. eta vs tors. theta energy: -103.304 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: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1033.225582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.225582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.225582 (E_RNA) where: Base-Base interactions energy: -704.509 where: short stacking energy: -302.576 Base-Backbone interact. energy: -0.443 local terms energy: -328.272973 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -63.100 flat angles C4'-P-C4' energy: -65.966 flat angles P-C4'-P energy: -50.513 tors. eta vs tors. theta energy: -92.981 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: 459 Temperature: 1.000000 Total energy: -1012.035731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.035731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.035731 (E_RNA) where: Base-Base interactions energy: -683.096 where: short stacking energy: -303.700 Base-Backbone interact. energy: -2.027 local terms energy: -326.913390 where: bonds (distance) C4'-P energy: -56.470 bonds (distance) P-C4' energy: -52.056 flat angles C4'-P-C4' energy: -72.375 flat angles P-C4'-P energy: -48.975 tors. eta vs tors. theta energy: -97.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -968.700453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.700453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.700453 (E_RNA) where: Base-Base interactions energy: -660.804 where: short stacking energy: -293.147 Base-Backbone interact. energy: -0.517 local terms energy: -307.379230 where: bonds (distance) C4'-P energy: -57.269 bonds (distance) P-C4' energy: -51.866 flat angles C4'-P-C4' energy: -68.241 flat angles P-C4'-P energy: -42.386 tors. eta vs tors. theta energy: -87.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -903.832856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.832856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.832856 (E_RNA) where: Base-Base interactions energy: -596.519 where: short stacking energy: -251.356 Base-Backbone interact. energy: -0.479 local terms energy: -306.834564 where: bonds (distance) C4'-P energy: -61.905 bonds (distance) P-C4' energy: -52.425 flat angles C4'-P-C4' energy: -64.998 flat angles P-C4'-P energy: -42.570 tors. eta vs tors. theta energy: -84.936 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: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -739.665546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.665546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.665546 (E_RNA) where: Base-Base interactions energy: -486.383 where: short stacking energy: -193.363 Base-Backbone interact. energy: -1.249 local terms energy: -252.033987 where: bonds (distance) C4'-P energy: -50.554 bonds (distance) P-C4' energy: -60.805 flat angles C4'-P-C4' energy: -56.525 flat angles P-C4'-P energy: -35.247 tors. eta vs tors. theta energy: -48.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -570.496217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.496217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.496217 (E_RNA) where: Base-Base interactions energy: -328.219 where: short stacking energy: -163.304 Base-Backbone interact. energy: -1.280 local terms energy: -240.997520 where: bonds (distance) C4'-P energy: -61.591 bonds (distance) P-C4' energy: -56.493 flat angles C4'-P-C4' energy: -47.375 flat angles P-C4'-P energy: -47.225 tors. eta vs tors. theta energy: -28.314 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: 3 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -524.435824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.435824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.435824 (E_RNA) where: Base-Base interactions energy: -293.993 where: short stacking energy: -143.826 Base-Backbone interact. energy: -0.157 local terms energy: -230.285655 where: bonds (distance) C4'-P energy: -52.888 bonds (distance) P-C4' energy: -59.063 flat angles C4'-P-C4' energy: -63.853 flat angles P-C4'-P energy: -27.371 tors. eta vs tors. theta energy: -27.111 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: 4 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -462.540054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.540054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.540054 (E_RNA) where: Base-Base interactions energy: -242.437 where: short stacking energy: -137.810 Base-Backbone interact. energy: -1.512 local terms energy: -218.591446 where: bonds (distance) C4'-P energy: -54.499 bonds (distance) P-C4' energy: -49.655 flat angles C4'-P-C4' energy: -54.112 flat angles P-C4'-P energy: -31.117 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: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -242.734094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.734094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.734094 (E_RNA) where: Base-Base interactions energy: -89.865 where: short stacking energy: -66.041 Base-Backbone interact. energy: -2.853 local terms energy: -150.015623 where: bonds (distance) C4'-P energy: -47.209 bonds (distance) P-C4' energy: -57.333 flat angles C4'-P-C4' energy: -41.686 flat angles P-C4'-P energy: -24.978 tors. eta vs tors. theta energy: 21.190 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: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1110.503978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.503978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.503978 (E_RNA) where: Base-Base interactions energy: -758.676 where: short stacking energy: -330.186 Base-Backbone interact. energy: 1.549 local terms energy: -353.376932 where: bonds (distance) C4'-P energy: -60.699 bonds (distance) P-C4' energy: -58.349 flat angles C4'-P-C4' energy: -76.052 flat angles P-C4'-P energy: -50.510 tors. eta vs tors. theta energy: -107.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1052.322040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.322040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.322040 (E_RNA) where: Base-Base interactions energy: -714.955 where: short stacking energy: -299.384 Base-Backbone interact. energy: -0.994 local terms energy: -336.372999 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -66.008 flat angles C4'-P-C4' energy: -67.172 flat angles P-C4'-P energy: -46.993 tors. eta vs tors. theta energy: -92.537 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: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -961.210152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.210152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.210152 (E_RNA) where: Base-Base interactions energy: -656.181 where: short stacking energy: -282.480 Base-Backbone interact. energy: -1.093 local terms energy: -303.936238 where: bonds (distance) C4'-P energy: -47.488 bonds (distance) P-C4' energy: -68.089 flat angles C4'-P-C4' energy: -69.115 flat angles P-C4'-P energy: -41.288 tors. eta vs tors. theta energy: -77.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -961.833387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.833387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.833387 (E_RNA) where: Base-Base interactions energy: -645.464 where: short stacking energy: -283.070 Base-Backbone interact. energy: -0.265 local terms energy: -316.104781 where: bonds (distance) C4'-P energy: -59.491 bonds (distance) P-C4' energy: -57.027 flat angles C4'-P-C4' energy: -66.506 flat angles P-C4'-P energy: -44.602 tors. eta vs tors. theta energy: -88.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -893.285031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.285031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.285031 (E_RNA) where: Base-Base interactions energy: -608.709 where: short stacking energy: -267.926 Base-Backbone interact. energy: -1.202 local terms energy: -283.373907 where: bonds (distance) C4'-P energy: -51.601 bonds (distance) P-C4' energy: -58.759 flat angles C4'-P-C4' energy: -58.814 flat angles P-C4'-P energy: -32.840 tors. eta vs tors. theta energy: -81.360 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: 10 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -740.139196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.139196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.139196 (E_RNA) where: Base-Base interactions energy: -465.125 where: short stacking energy: -206.580 Base-Backbone interact. energy: 0.227 local terms energy: -275.240722 where: bonds (distance) C4'-P energy: -66.902 bonds (distance) P-C4' energy: -59.424 flat angles C4'-P-C4' energy: -52.934 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -59.474 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: 7, replica: 6 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -609.751881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.751881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.751881 (E_RNA) where: Base-Base interactions energy: -360.893 where: short stacking energy: -180.237 Base-Backbone interact. energy: 0.000 local terms energy: -248.859133 where: bonds (distance) C4'-P energy: -55.123 bonds (distance) P-C4' energy: -58.504 flat angles C4'-P-C4' energy: -52.175 flat angles P-C4'-P energy: -41.393 tors. eta vs tors. theta energy: -41.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -504.769027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.769027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.769027 (E_RNA) where: Base-Base interactions energy: -305.527 where: short stacking energy: -159.987 Base-Backbone interact. energy: -0.126 local terms energy: -199.115840 where: bonds (distance) C4'-P energy: -44.262 bonds (distance) P-C4' energy: -57.121 flat angles C4'-P-C4' energy: -45.375 flat angles P-C4'-P energy: -22.769 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: 9, replica: 4 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -432.890281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.890281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.890281 (E_RNA) where: Base-Base interactions energy: -224.523 where: short stacking energy: -130.648 Base-Backbone interact. energy: -0.642 local terms energy: -207.724656 where: bonds (distance) C4'-P energy: -50.090 bonds (distance) P-C4' energy: -56.640 flat angles C4'-P-C4' energy: -48.658 flat angles P-C4'-P energy: -31.757 tors. eta vs tors. theta energy: -20.581 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: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -248.943357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.943357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.943357 (E_RNA) where: Base-Base interactions energy: -79.353 where: short stacking energy: -58.300 Base-Backbone interact. energy: -0.747 local terms energy: -168.843210 where: bonds (distance) C4'-P energy: -59.241 bonds (distance) P-C4' energy: -61.148 flat angles C4'-P-C4' energy: -46.356 flat angles P-C4'-P energy: -24.898 tors. eta vs tors. theta energy: 22.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1114.358732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.358732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.358732 (E_RNA) where: Base-Base interactions energy: -768.515 where: short stacking energy: -318.720 Base-Backbone interact. energy: -0.847 local terms energy: -344.996516 where: bonds (distance) C4'-P energy: -60.483 bonds (distance) P-C4' energy: -54.388 flat angles C4'-P-C4' energy: -74.594 flat angles P-C4'-P energy: -53.625 tors. eta vs tors. theta energy: -101.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1058.511096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.511096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.511096 (E_RNA) where: Base-Base interactions energy: -711.558 where: short stacking energy: -317.675 Base-Backbone interact. energy: -0.647 local terms energy: -346.306840 where: bonds (distance) C4'-P energy: -62.351 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -73.908 flat angles P-C4'-P energy: -44.414 tors. eta vs tors. theta energy: -99.507 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: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -966.969845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.969845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.969845 (E_RNA) where: Base-Base interactions energy: -655.950 where: short stacking energy: -288.084 Base-Backbone interact. energy: -0.631 local terms energy: -310.388452 where: bonds (distance) C4'-P energy: -63.598 bonds (distance) P-C4' energy: -61.801 flat angles C4'-P-C4' energy: -61.643 flat angles P-C4'-P energy: -40.817 tors. eta vs tors. theta energy: -82.529 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: 4, replica: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -951.304507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.304507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.304507 (E_RNA) where: Base-Base interactions energy: -651.063 where: short stacking energy: -282.383 Base-Backbone interact. energy: -1.497 local terms energy: -298.744113 where: bonds (distance) C4'-P energy: -49.074 bonds (distance) P-C4' energy: -57.920 flat angles C4'-P-C4' energy: -66.921 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -80.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -923.579575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.579575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.579575 (E_RNA) where: Base-Base interactions energy: -620.038 where: short stacking energy: -253.603 Base-Backbone interact. energy: -1.725 local terms energy: -301.816277 where: bonds (distance) C4'-P energy: -53.523 bonds (distance) P-C4' energy: -65.503 flat angles C4'-P-C4' energy: -63.721 flat angles P-C4'-P energy: -38.065 tors. eta vs tors. theta energy: -81.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -735.403844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.403844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.403844 (E_RNA) where: Base-Base interactions energy: -481.874 where: short stacking energy: -206.442 Base-Backbone interact. energy: -1.303 local terms energy: -252.226893 where: bonds (distance) C4'-P energy: -53.179 bonds (distance) P-C4' energy: -59.172 flat angles C4'-P-C4' energy: -52.420 flat angles P-C4'-P energy: -36.123 tors. eta vs tors. theta energy: -51.333 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: 6 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -607.409708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.409708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.409708 (E_RNA) where: Base-Base interactions energy: -355.838 where: short stacking energy: -172.022 Base-Backbone interact. energy: -0.640 local terms energy: -250.931586 where: bonds (distance) C4'-P energy: -60.247 bonds (distance) P-C4' energy: -58.963 flat angles C4'-P-C4' energy: -62.243 flat angles P-C4'-P energy: -29.589 tors. eta vs tors. theta energy: -39.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -508.873494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.873494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.873494 (E_RNA) where: Base-Base interactions energy: -288.364 where: short stacking energy: -151.160 Base-Backbone interact. energy: -1.203 local terms energy: -219.306508 where: bonds (distance) C4'-P energy: -54.649 bonds (distance) P-C4' energy: -54.838 flat angles C4'-P-C4' energy: -56.805 flat angles P-C4'-P energy: -17.146 tors. eta vs tors. theta energy: -35.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -442.244898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.244898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.244898 (E_RNA) where: Base-Base interactions energy: -232.518 where: short stacking energy: -113.475 Base-Backbone interact. energy: -0.174 local terms energy: -209.553654 where: bonds (distance) C4'-P energy: -48.873 bonds (distance) P-C4' energy: -55.898 flat angles C4'-P-C4' energy: -53.989 flat angles P-C4'-P energy: -37.361 tors. eta vs tors. theta energy: -13.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -251.185288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.185288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.185288 (E_RNA) where: Base-Base interactions energy: -84.405 where: short stacking energy: -62.342 Base-Backbone interact. energy: 1.977 local terms energy: -168.757635 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -51.287 flat angles C4'-P-C4' energy: -50.193 flat angles P-C4'-P energy: -24.152 tors. eta vs tors. theta energy: 11.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1105.530614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.530614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.530614 (E_RNA) where: Base-Base interactions energy: -760.295 where: short stacking energy: -326.649 Base-Backbone interact. energy: -0.280 local terms energy: -344.955207 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -60.917 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -48.426 tors. eta vs tors. theta energy: -99.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1053.263649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.263649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.263649 (E_RNA) where: Base-Base interactions energy: -699.535 where: short stacking energy: -304.819 Base-Backbone interact. energy: -1.142 local terms energy: -352.586112 where: bonds (distance) C4'-P energy: -59.552 bonds (distance) P-C4' energy: -60.106 flat angles C4'-P-C4' energy: -80.788 flat angles P-C4'-P energy: -45.286 tors. eta vs tors. theta energy: -106.853 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: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -991.773107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.773107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.773107 (E_RNA) where: Base-Base interactions energy: -668.549 where: short stacking energy: -288.082 Base-Backbone interact. energy: 0.043 local terms energy: -323.266347 where: bonds (distance) C4'-P energy: -60.673 bonds (distance) P-C4' energy: -57.480 flat angles C4'-P-C4' energy: -67.817 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: -91.728 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: 462 Temperature: 1.050000 Total energy: -944.129775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.129775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.129775 (E_RNA) where: Base-Base interactions energy: -657.632 where: short stacking energy: -281.348 Base-Backbone interact. energy: -1.440 local terms energy: -285.057201 where: bonds (distance) C4'-P energy: -46.973 bonds (distance) P-C4' energy: -51.308 flat angles C4'-P-C4' energy: -66.979 flat angles P-C4'-P energy: -41.416 tors. eta vs tors. theta energy: -78.382 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: 5 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -938.433332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.433332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.433332 (E_RNA) where: Base-Base interactions energy: -628.044 where: short stacking energy: -271.374 Base-Backbone interact. energy: -0.589 local terms energy: -309.799879 where: bonds (distance) C4'-P energy: -61.813 bonds (distance) P-C4' energy: -56.917 flat angles C4'-P-C4' energy: -71.101 flat angles P-C4'-P energy: -34.776 tors. eta vs tors. theta energy: -85.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -708.469777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.469777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.469777 (E_RNA) where: Base-Base interactions energy: -443.472 where: short stacking energy: -212.011 Base-Backbone interact. energy: -0.650 local terms energy: -264.347727 where: bonds (distance) C4'-P energy: -56.834 bonds (distance) P-C4' energy: -60.429 flat angles C4'-P-C4' energy: -64.599 flat angles P-C4'-P energy: -29.091 tors. eta vs tors. theta energy: -53.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -651.162590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.162590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.162590 (E_RNA) where: Base-Base interactions energy: -413.725 where: short stacking energy: -196.393 Base-Backbone interact. energy: 0.234 local terms energy: -237.671523 where: bonds (distance) C4'-P energy: -44.328 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -52.645 flat angles P-C4'-P energy: -37.708 tors. eta vs tors. theta energy: -42.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -443.547443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.547443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.547443 (E_RNA) where: Base-Base interactions energy: -242.301 where: short stacking energy: -129.364 Base-Backbone interact. energy: -1.332 local terms energy: -199.915274 where: bonds (distance) C4'-P energy: -55.406 bonds (distance) P-C4' energy: -66.012 flat angles C4'-P-C4' energy: -39.137 flat angles P-C4'-P energy: -28.354 tors. eta vs tors. theta energy: -11.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -484.169062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.169062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.169062 (E_RNA) where: Base-Base interactions energy: -275.817 where: short stacking energy: -147.006 Base-Backbone interact. energy: 1.707 local terms energy: -210.059050 where: bonds (distance) C4'-P energy: -42.876 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -53.307 flat angles P-C4'-P energy: -30.571 tors. eta vs tors. theta energy: -20.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -269.293757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.293757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.293757 (E_RNA) where: Base-Base interactions energy: -97.146 where: short stacking energy: -84.259 Base-Backbone interact. energy: -0.039 local terms energy: -172.108722 where: bonds (distance) C4'-P energy: -53.383 bonds (distance) P-C4' energy: -58.635 flat angles C4'-P-C4' energy: -46.665 flat angles P-C4'-P energy: -21.800 tors. eta vs tors. theta energy: 8.374 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: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1102.027078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.027078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.027078 (E_RNA) where: Base-Base interactions energy: -732.438 where: short stacking energy: -326.972 Base-Backbone interact. energy: -1.681 local terms energy: -367.908055 where: bonds (distance) C4'-P energy: -70.458 bonds (distance) P-C4' energy: -69.725 flat angles C4'-P-C4' energy: -76.480 flat angles P-C4'-P energy: -52.577 tors. eta vs tors. theta energy: -98.668 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: 463 Temperature: 0.950000 Total energy: -1052.802321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.802321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.802321 (E_RNA) where: Base-Base interactions energy: -693.114 where: short stacking energy: -306.587 Base-Backbone interact. energy: -1.065 local terms energy: -358.623002 where: bonds (distance) C4'-P energy: -70.556 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -64.029 flat angles P-C4'-P energy: -56.411 tors. eta vs tors. theta energy: -100.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1032.643021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.643021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.643021 (E_RNA) where: Base-Base interactions energy: -694.850 where: short stacking energy: -292.233 Base-Backbone interact. energy: -0.716 local terms energy: -337.076584 where: bonds (distance) C4'-P energy: -65.078 bonds (distance) P-C4' energy: -61.152 flat angles C4'-P-C4' energy: -68.704 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: -98.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -964.074763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.074763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.074763 (E_RNA) where: Base-Base interactions energy: -666.930 where: short stacking energy: -270.719 Base-Backbone interact. energy: -0.675 local terms energy: -296.469489 where: bonds (distance) C4'-P energy: -53.817 bonds (distance) P-C4' energy: -62.828 flat angles C4'-P-C4' energy: -61.085 flat angles P-C4'-P energy: -36.905 tors. eta vs tors. theta energy: -81.835 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: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -886.527791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.527791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.527791 (E_RNA) where: Base-Base interactions energy: -593.068 where: short stacking energy: -254.541 Base-Backbone interact. energy: -2.424 local terms energy: -291.035648 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -55.258 flat angles C4'-P-C4' energy: -71.375 flat angles P-C4'-P energy: -37.467 tors. eta vs tors. theta energy: -72.299 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: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -724.092237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.092237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.092237 (E_RNA) where: Base-Base interactions energy: -443.394 where: short stacking energy: -210.218 Base-Backbone interact. energy: -0.365 local terms energy: -280.333183 where: bonds (distance) C4'-P energy: -51.274 bonds (distance) P-C4' energy: -57.485 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -36.020 tors. eta vs tors. theta energy: -62.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -639.531182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.531182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.531182 (E_RNA) where: Base-Base interactions energy: -395.027 where: short stacking energy: -189.394 Base-Backbone interact. energy: -1.015 local terms energy: -243.489036 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -58.124 flat angles C4'-P-C4' energy: -54.242 flat angles P-C4'-P energy: -30.898 tors. eta vs tors. theta energy: -40.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -503.540404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.540404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.540404 (E_RNA) where: Base-Base interactions energy: -264.998 where: short stacking energy: -138.778 Base-Backbone interact. energy: 6.740 local terms energy: -245.282039 where: bonds (distance) C4'-P energy: -43.963 bonds (distance) P-C4' energy: -58.258 flat angles C4'-P-C4' energy: -64.565 flat angles P-C4'-P energy: -46.156 tors. eta vs tors. theta energy: -32.340 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: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -456.145537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.145537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.145537 (E_RNA) where: Base-Base interactions energy: -251.095 where: short stacking energy: -134.325 Base-Backbone interact. energy: 0.862 local terms energy: -205.913114 where: bonds (distance) C4'-P energy: -58.417 bonds (distance) P-C4' energy: -48.048 flat angles C4'-P-C4' energy: -54.320 flat angles P-C4'-P energy: -23.346 tors. eta vs tors. theta energy: -21.783 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: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -271.134417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.134417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.134417 (E_RNA) where: Base-Base interactions energy: -86.332 where: short stacking energy: -72.998 Base-Backbone interact. energy: -0.521 local terms energy: -184.281574 where: bonds (distance) C4'-P energy: -55.376 bonds (distance) P-C4' energy: -55.036 flat angles C4'-P-C4' energy: -50.025 flat angles P-C4'-P energy: -31.484 tors. eta vs tors. theta energy: 7.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1079.623624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.623624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.623624 (E_RNA) where: Base-Base interactions energy: -716.816 where: short stacking energy: -318.067 Base-Backbone interact. energy: -1.790 local terms energy: -361.017399 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -74.503 flat angles P-C4'-P energy: -59.567 tors. eta vs tors. theta energy: -97.744 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: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1072.069249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.069249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.069249 (E_RNA) where: Base-Base interactions energy: -733.268 where: short stacking energy: -322.315 Base-Backbone interact. energy: -0.887 local terms energy: -337.914091 where: bonds (distance) C4'-P energy: -64.820 bonds (distance) P-C4' energy: -67.406 flat angles C4'-P-C4' energy: -67.928 flat angles P-C4'-P energy: -37.150 tors. eta vs tors. theta energy: -100.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1046.418830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.418830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.418830 (E_RNA) where: Base-Base interactions energy: -721.786 where: short stacking energy: -313.683 Base-Backbone interact. energy: 0.435 local terms energy: -325.067867 where: bonds (distance) C4'-P energy: -56.850 bonds (distance) P-C4' energy: -59.531 flat angles C4'-P-C4' energy: -70.654 flat angles P-C4'-P energy: -37.668 tors. eta vs tors. theta energy: -100.365 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: 1 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -911.844960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.844960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.844960 (E_RNA) where: Base-Base interactions energy: -621.855 where: short stacking energy: -251.590 Base-Backbone interact. energy: -4.051 local terms energy: -285.939534 where: bonds (distance) C4'-P energy: -47.004 bonds (distance) P-C4' energy: -49.996 flat angles C4'-P-C4' energy: -62.193 flat angles P-C4'-P energy: -48.996 tors. eta vs tors. theta energy: -77.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -921.836479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.836479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.836479 (E_RNA) where: Base-Base interactions energy: -603.366 where: short stacking energy: -257.262 Base-Backbone interact. energy: -0.584 local terms energy: -317.886791 where: bonds (distance) C4'-P energy: -61.146 bonds (distance) P-C4' energy: -58.028 flat angles C4'-P-C4' energy: -69.100 flat angles P-C4'-P energy: -46.268 tors. eta vs tors. theta energy: -83.345 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: 10 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -772.875875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.875875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.875875 (E_RNA) where: Base-Base interactions energy: -498.530 where: short stacking energy: -221.687 Base-Backbone interact. energy: -2.110 local terms energy: -272.235961 where: bonds (distance) C4'-P energy: -50.033 bonds (distance) P-C4' energy: -58.965 flat angles C4'-P-C4' energy: -61.761 flat angles P-C4'-P energy: -38.158 tors. eta vs tors. theta energy: -63.319 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: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -607.250323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.250323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.250323 (E_RNA) where: Base-Base interactions energy: -385.884 where: short stacking energy: -173.251 Base-Backbone interact. energy: 0.114 local terms energy: -221.481208 where: bonds (distance) C4'-P energy: -53.245 bonds (distance) P-C4' energy: -53.735 flat angles C4'-P-C4' energy: -49.398 flat angles P-C4'-P energy: -32.959 tors. eta vs tors. theta energy: -32.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -486.872482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.872482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.872482 (E_RNA) where: Base-Base interactions energy: -266.923 where: short stacking energy: -158.102 Base-Backbone interact. energy: -0.762 local terms energy: -219.187746 where: bonds (distance) C4'-P energy: -49.556 bonds (distance) P-C4' energy: -48.939 flat angles C4'-P-C4' energy: -53.960 flat angles P-C4'-P energy: -36.273 tors. eta vs tors. theta energy: -30.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -441.976466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.976466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.976466 (E_RNA) where: Base-Base interactions energy: -233.998 where: short stacking energy: -106.139 Base-Backbone interact. energy: -1.705 local terms energy: -206.273214 where: bonds (distance) C4'-P energy: -51.613 bonds (distance) P-C4' energy: -54.781 flat angles C4'-P-C4' energy: -53.863 flat angles P-C4'-P energy: -34.698 tors. eta vs tors. theta energy: -11.318 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: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -248.931950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.931950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.931950 (E_RNA) where: Base-Base interactions energy: -71.296 where: short stacking energy: -52.305 Base-Backbone interact. energy: -0.434 local terms energy: -177.201768 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -59.771 flat angles C4'-P-C4' energy: -35.172 flat angles P-C4'-P energy: -30.349 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: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1088.704028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.704028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.704028 (E_RNA) where: Base-Base interactions energy: -744.023 where: short stacking energy: -342.770 Base-Backbone interact. energy: -1.740 local terms energy: -342.940385 where: bonds (distance) C4'-P energy: -61.176 bonds (distance) P-C4' energy: -63.520 flat angles C4'-P-C4' energy: -66.733 flat angles P-C4'-P energy: -47.947 tors. eta vs tors. theta energy: -103.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1054.353037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.353037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.353037 (E_RNA) where: Base-Base interactions energy: -715.194 where: short stacking energy: -313.853 Base-Backbone interact. energy: -0.196 local terms energy: -338.963122 where: bonds (distance) C4'-P energy: -58.987 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -71.823 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -101.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1051.282714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.282714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.282714 (E_RNA) where: Base-Base interactions energy: -716.431 where: short stacking energy: -308.503 Base-Backbone interact. energy: 0.345 local terms energy: -335.196159 where: bonds (distance) C4'-P energy: -62.947 bonds (distance) P-C4' energy: -54.893 flat angles C4'-P-C4' energy: -74.289 flat angles P-C4'-P energy: -49.222 tors. eta vs tors. theta energy: -93.845 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: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -937.058184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.058184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.058184 (E_RNA) where: Base-Base interactions energy: -616.449 where: short stacking energy: -273.525 Base-Backbone interact. energy: 0.519 local terms energy: -321.128013 where: bonds (distance) C4'-P energy: -58.432 bonds (distance) P-C4' energy: -64.140 flat angles C4'-P-C4' energy: -73.564 flat angles P-C4'-P energy: -33.021 tors. eta vs tors. theta energy: -91.971 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: 465 Temperature: 1.100000 Total energy: -908.855566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.855566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.855566 (E_RNA) where: Base-Base interactions energy: -604.135 where: short stacking energy: -259.696 Base-Backbone interact. energy: -1.069 local terms energy: -303.651649 where: bonds (distance) C4'-P energy: -57.972 bonds (distance) P-C4' energy: -53.670 flat angles C4'-P-C4' energy: -67.223 flat angles P-C4'-P energy: -40.921 tors. eta vs tors. theta energy: -83.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -724.065231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.065231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.065231 (E_RNA) where: Base-Base interactions energy: -470.199 where: short stacking energy: -198.611 Base-Backbone interact. energy: -1.652 local terms energy: -252.214281 where: bonds (distance) C4'-P energy: -57.835 bonds (distance) P-C4' energy: -59.727 flat angles C4'-P-C4' energy: -50.255 flat angles P-C4'-P energy: -32.293 tors. eta vs tors. theta energy: -52.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -570.707058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.707058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.707058 (E_RNA) where: Base-Base interactions energy: -347.984 where: short stacking energy: -169.698 Base-Backbone interact. energy: 2.512 local terms energy: -225.235974 where: bonds (distance) C4'-P energy: -48.413 bonds (distance) P-C4' energy: -54.266 flat angles C4'-P-C4' energy: -65.894 flat angles P-C4'-P energy: -25.276 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: 8, replica: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -497.401175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.401175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.401175 (E_RNA) where: Base-Base interactions energy: -258.282 where: short stacking energy: -145.751 Base-Backbone interact. energy: 0.719 local terms energy: -239.838194 where: bonds (distance) C4'-P energy: -55.413 bonds (distance) P-C4' energy: -53.980 flat angles C4'-P-C4' energy: -57.479 flat angles P-C4'-P energy: -29.973 tors. eta vs tors. theta energy: -42.994 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: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -438.677676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.677676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.677676 (E_RNA) where: Base-Base interactions energy: -248.223 where: short stacking energy: -116.168 Base-Backbone interact. energy: -1.189 local terms energy: -189.265530 where: bonds (distance) C4'-P energy: -52.513 bonds (distance) P-C4' energy: -44.206 flat angles C4'-P-C4' energy: -50.152 flat angles P-C4'-P energy: -32.587 tors. eta vs tors. theta energy: -9.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -270.474983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.474983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.474983 (E_RNA) where: Base-Base interactions energy: -95.405 where: short stacking energy: -82.772 Base-Backbone interact. energy: 0.752 local terms energy: -175.821924 where: bonds (distance) C4'-P energy: -50.195 bonds (distance) P-C4' energy: -53.258 flat angles C4'-P-C4' energy: -56.300 flat angles P-C4'-P energy: -23.415 tors. eta vs tors. theta energy: 7.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1081.893452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.893452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.893452 (E_RNA) where: Base-Base interactions energy: -731.256 where: short stacking energy: -328.255 Base-Backbone interact. energy: -0.397 local terms energy: -350.240539 where: bonds (distance) C4'-P energy: -59.288 bonds (distance) P-C4' energy: -61.534 flat angles C4'-P-C4' energy: -72.698 flat angles P-C4'-P energy: -49.316 tors. eta vs tors. theta energy: -107.405 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: 8 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1050.097840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.097840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.097840 (E_RNA) where: Base-Base interactions energy: -716.169 where: short stacking energy: -307.628 Base-Backbone interact. energy: -1.999 local terms energy: -331.929507 where: bonds (distance) C4'-P energy: -59.812 bonds (distance) P-C4' energy: -65.501 flat angles C4'-P-C4' energy: -63.509 flat angles P-C4'-P energy: -45.097 tors. eta vs tors. theta energy: -98.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1039.316896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.316896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.316896 (E_RNA) where: Base-Base interactions energy: -705.532 where: short stacking energy: -310.845 Base-Backbone interact. energy: -1.149 local terms energy: -332.636451 where: bonds (distance) C4'-P energy: -62.293 bonds (distance) P-C4' energy: -56.353 flat angles C4'-P-C4' energy: -67.533 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: -95.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -905.795887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.795887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.795887 (E_RNA) where: Base-Base interactions energy: -605.995 where: short stacking energy: -270.111 Base-Backbone interact. energy: -0.984 local terms energy: -298.816828 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -63.898 flat angles P-C4'-P energy: -34.296 tors. eta vs tors. theta energy: -76.988 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: 466 Temperature: 1.100000 Total energy: -946.679205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.679205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.679205 (E_RNA) where: Base-Base interactions energy: -641.751 where: short stacking energy: -276.880 Base-Backbone interact. energy: -1.430 local terms energy: -303.498174 where: bonds (distance) C4'-P energy: -51.597 bonds (distance) P-C4' energy: -54.451 flat angles C4'-P-C4' energy: -66.707 flat angles P-C4'-P energy: -43.702 tors. eta vs tors. theta energy: -87.041 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: 6, replica: 10 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -710.637766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.637766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.637766 (E_RNA) where: Base-Base interactions energy: -452.878 where: short stacking energy: -196.525 Base-Backbone interact. energy: -1.649 local terms energy: -256.111636 where: bonds (distance) C4'-P energy: -43.183 bonds (distance) P-C4' energy: -68.474 flat angles C4'-P-C4' energy: -57.040 flat angles P-C4'-P energy: -33.656 tors. eta vs tors. theta energy: -53.760 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: 466 Temperature: 1.200000 Total energy: -576.933079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.933079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.933079 (E_RNA) where: Base-Base interactions energy: -340.792 where: short stacking energy: -165.126 Base-Backbone interact. energy: 0.220 local terms energy: -236.361904 where: bonds (distance) C4'-P energy: -57.931 bonds (distance) P-C4' energy: -54.571 flat angles C4'-P-C4' energy: -56.327 flat angles P-C4'-P energy: -26.139 tors. eta vs tors. theta energy: -41.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -510.444183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.444183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.444183 (E_RNA) where: Base-Base interactions energy: -281.571 where: short stacking energy: -140.249 Base-Backbone interact. energy: -0.894 local terms energy: -227.979205 where: bonds (distance) C4'-P energy: -49.679 bonds (distance) P-C4' energy: -59.237 flat angles C4'-P-C4' energy: -57.035 flat angles P-C4'-P energy: -36.128 tors. eta vs tors. theta energy: -25.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -292.313695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.313695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.313695 (E_RNA) where: Base-Base interactions energy: -114.849 where: short stacking energy: -79.303 Base-Backbone interact. energy: 1.762 local terms energy: -179.226536 where: bonds (distance) C4'-P energy: -57.888 bonds (distance) P-C4' energy: -51.098 flat angles C4'-P-C4' energy: -44.783 flat angles P-C4'-P energy: -31.146 tors. eta vs tors. theta energy: 5.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -417.421228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.421228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.421228 (E_RNA) where: Base-Base interactions energy: -222.364 where: short stacking energy: -109.064 Base-Backbone interact. energy: -2.123 local terms energy: -192.934659 where: bonds (distance) C4'-P energy: -42.475 bonds (distance) P-C4' energy: -51.069 flat angles C4'-P-C4' energy: -44.604 flat angles P-C4'-P energy: -41.855 tors. eta vs tors. theta energy: -12.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1084.626456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.626456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.626456 (E_RNA) where: Base-Base interactions energy: -729.095 where: short stacking energy: -315.775 Base-Backbone interact. energy: 1.046 local terms energy: -356.577804 where: bonds (distance) C4'-P energy: -64.884 bonds (distance) P-C4' energy: -62.089 flat angles C4'-P-C4' energy: -67.771 flat angles P-C4'-P energy: -58.913 tors. eta vs tors. theta energy: -102.921 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: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1032.649688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.649688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.649688 (E_RNA) where: Base-Base interactions energy: -695.204 where: short stacking energy: -290.286 Base-Backbone interact. energy: 0.180 local terms energy: -337.625516 where: bonds (distance) C4'-P energy: -65.791 bonds (distance) P-C4' energy: -68.844 flat angles C4'-P-C4' energy: -59.916 flat angles P-C4'-P energy: -48.499 tors. eta vs tors. theta energy: -94.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1033.885956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.885956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.885956 (E_RNA) where: Base-Base interactions energy: -710.632 where: short stacking energy: -306.558 Base-Backbone interact. energy: -1.282 local terms energy: -321.971972 where: bonds (distance) C4'-P energy: -70.680 bonds (distance) P-C4' energy: -52.345 flat angles C4'-P-C4' energy: -65.745 flat angles P-C4'-P energy: -41.049 tors. eta vs tors. theta energy: -92.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -961.995196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.995196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.995196 (E_RNA) where: Base-Base interactions energy: -650.634 where: short stacking energy: -311.271 Base-Backbone interact. energy: -0.794 local terms energy: -310.567572 where: bonds (distance) C4'-P energy: -54.964 bonds (distance) P-C4' energy: -56.755 flat angles C4'-P-C4' energy: -65.428 flat angles P-C4'-P energy: -44.461 tors. eta vs tors. theta energy: -88.960 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: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -882.462318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.462318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.462318 (E_RNA) where: Base-Base interactions energy: -581.124 where: short stacking energy: -268.178 Base-Backbone interact. energy: -2.317 local terms energy: -299.021516 where: bonds (distance) C4'-P energy: -62.551 bonds (distance) P-C4' energy: -60.695 flat angles C4'-P-C4' energy: -44.230 flat angles P-C4'-P energy: -49.289 tors. eta vs tors. theta energy: -82.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -702.853920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.853920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.853920 (E_RNA) where: Base-Base interactions energy: -427.371 where: short stacking energy: -185.044 Base-Backbone interact. energy: -0.097 local terms energy: -275.385952 where: bonds (distance) C4'-P energy: -60.217 bonds (distance) P-C4' energy: -58.643 flat angles C4'-P-C4' energy: -68.956 flat angles P-C4'-P energy: -41.835 tors. eta vs tors. theta energy: -45.734 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: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -592.387264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.387264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.387264 (E_RNA) where: Base-Base interactions energy: -358.491 where: short stacking energy: -176.439 Base-Backbone interact. energy: 1.256 local terms energy: -235.152053 where: bonds (distance) C4'-P energy: -43.751 bonds (distance) P-C4' energy: -59.264 flat angles C4'-P-C4' energy: -65.675 flat angles P-C4'-P energy: -38.653 tors. eta vs tors. theta energy: -27.810 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: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -476.938963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.938963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.938963 (E_RNA) where: Base-Base interactions energy: -270.936 where: short stacking energy: -153.908 Base-Backbone interact. energy: -1.195 local terms energy: -204.808099 where: bonds (distance) C4'-P energy: -44.818 bonds (distance) P-C4' energy: -57.220 flat angles C4'-P-C4' energy: -57.636 flat angles P-C4'-P energy: -30.289 tors. eta vs tors. theta energy: -14.845 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: 9, replica: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -295.634616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.634616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.634616 (E_RNA) where: Base-Base interactions energy: -114.278 where: short stacking energy: -79.662 Base-Backbone interact. energy: 0.714 local terms energy: -182.070241 where: bonds (distance) C4'-P energy: -57.190 bonds (distance) P-C4' energy: -59.826 flat angles C4'-P-C4' energy: -41.129 flat angles P-C4'-P energy: -29.350 tors. eta vs tors. theta energy: 5.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -434.211346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.211346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.211346 (E_RNA) where: Base-Base interactions energy: -230.433 where: short stacking energy: -112.585 Base-Backbone interact. energy: -1.399 local terms energy: -202.378897 where: bonds (distance) C4'-P energy: -55.392 bonds (distance) P-C4' energy: -50.690 flat angles C4'-P-C4' energy: -47.050 flat angles P-C4'-P energy: -35.957 tors. eta vs tors. theta energy: -13.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1084.195253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.195253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.195253 (E_RNA) where: Base-Base interactions energy: -735.187 where: short stacking energy: -320.905 Base-Backbone interact. energy: 1.965 local terms energy: -350.973981 where: bonds (distance) C4'-P energy: -69.733 bonds (distance) P-C4' energy: -63.097 flat angles C4'-P-C4' energy: -75.373 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -98.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1041.108300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.108300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.108300 (E_RNA) where: Base-Base interactions energy: -712.784 where: short stacking energy: -310.687 Base-Backbone interact. energy: -0.959 local terms energy: -327.365241 where: bonds (distance) C4'-P energy: -61.359 bonds (distance) P-C4' energy: -60.320 flat angles C4'-P-C4' energy: -70.017 flat angles P-C4'-P energy: -39.209 tors. eta vs tors. theta energy: -96.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1039.518448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.518448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.518448 (E_RNA) where: Base-Base interactions energy: -707.243 where: short stacking energy: -302.958 Base-Backbone interact. energy: 0.887 local terms energy: -333.162576 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -60.068 flat angles C4'-P-C4' energy: -72.416 flat angles P-C4'-P energy: -46.600 tors. eta vs tors. theta energy: -96.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -943.496618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.496618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.496618 (E_RNA) where: Base-Base interactions energy: -650.702 where: short stacking energy: -278.427 Base-Backbone interact. energy: -0.211 local terms energy: -292.584460 where: bonds (distance) C4'-P energy: -58.850 bonds (distance) P-C4' energy: -58.713 flat angles C4'-P-C4' energy: -68.107 flat angles P-C4'-P energy: -26.765 tors. eta vs tors. theta energy: -80.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -878.943398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.943398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.943398 (E_RNA) where: Base-Base interactions energy: -586.958 where: short stacking energy: -249.890 Base-Backbone interact. energy: -1.278 local terms energy: -290.707750 where: bonds (distance) C4'-P energy: -49.755 bonds (distance) P-C4' energy: -57.665 flat angles C4'-P-C4' energy: -58.905 flat angles P-C4'-P energy: -46.469 tors. eta vs tors. theta energy: -77.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -684.102765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.102765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.102765 (E_RNA) where: Base-Base interactions energy: -434.863 where: short stacking energy: -194.217 Base-Backbone interact. energy: -1.048 local terms energy: -248.192106 where: bonds (distance) C4'-P energy: -58.050 bonds (distance) P-C4' energy: -55.667 flat angles C4'-P-C4' energy: -59.878 flat angles P-C4'-P energy: -25.632 tors. eta vs tors. theta energy: -48.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -567.142120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.142120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.142120 (E_RNA) where: Base-Base interactions energy: -337.260 where: short stacking energy: -159.286 Base-Backbone interact. energy: -0.335 local terms energy: -229.546773 where: bonds (distance) C4'-P energy: -58.999 bonds (distance) P-C4' energy: -55.840 flat angles C4'-P-C4' energy: -55.518 flat angles P-C4'-P energy: -27.388 tors. eta vs tors. theta energy: -31.803 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: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -497.992343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.992343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.992343 (E_RNA) where: Base-Base interactions energy: -271.038 where: short stacking energy: -140.651 Base-Backbone interact. energy: -1.205 local terms energy: -225.749308 where: bonds (distance) C4'-P energy: -58.992 bonds (distance) P-C4' energy: -58.772 flat angles C4'-P-C4' energy: -48.950 flat angles P-C4'-P energy: -34.430 tors. eta vs tors. theta energy: -24.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -419.535674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.535674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.535674 (E_RNA) where: Base-Base interactions energy: -219.149 where: short stacking energy: -117.602 Base-Backbone interact. energy: -0.142 local terms energy: -200.244698 where: bonds (distance) C4'-P energy: -52.510 bonds (distance) P-C4' energy: -47.850 flat angles C4'-P-C4' energy: -54.429 flat angles P-C4'-P energy: -31.071 tors. eta vs tors. theta energy: -14.386 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: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -263.220892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.220892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.220892 (E_RNA) where: Base-Base interactions energy: -95.368 where: short stacking energy: -66.496 Base-Backbone interact. energy: 4.208 local terms energy: -172.061608 where: bonds (distance) C4'-P energy: -55.718 bonds (distance) P-C4' energy: -63.628 flat angles C4'-P-C4' energy: -26.688 flat angles P-C4'-P energy: -37.115 tors. eta vs tors. theta energy: 11.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1083.966972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.966972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.966972 (E_RNA) where: Base-Base interactions energy: -734.931 where: short stacking energy: -324.451 Base-Backbone interact. energy: -2.412 local terms energy: -346.624107 where: bonds (distance) C4'-P energy: -63.282 bonds (distance) P-C4' energy: -61.832 flat angles C4'-P-C4' energy: -74.616 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -98.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1072.898762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.898762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.898762 (E_RNA) where: Base-Base interactions energy: -715.673 where: short stacking energy: -319.089 Base-Backbone interact. energy: -1.062 local terms energy: -356.164054 where: bonds (distance) C4'-P energy: -68.442 bonds (distance) P-C4' energy: -70.532 flat angles C4'-P-C4' energy: -69.836 flat angles P-C4'-P energy: -48.946 tors. eta vs tors. theta energy: -98.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1002.285774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.285774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.285774 (E_RNA) where: Base-Base interactions energy: -661.770 where: short stacking energy: -292.960 Base-Backbone interact. energy: -1.144 local terms energy: -339.371362 where: bonds (distance) C4'-P energy: -59.383 bonds (distance) P-C4' energy: -61.173 flat angles C4'-P-C4' energy: -74.307 flat angles P-C4'-P energy: -53.339 tors. eta vs tors. theta energy: -91.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -925.233398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.233398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.233398 (E_RNA) where: Base-Base interactions energy: -615.507 where: short stacking energy: -260.861 Base-Backbone interact. energy: -0.338 local terms energy: -309.388979 where: bonds (distance) C4'-P energy: -57.520 bonds (distance) P-C4' energy: -64.402 flat angles C4'-P-C4' energy: -69.783 flat angles P-C4'-P energy: -40.465 tors. eta vs tors. theta energy: -77.219 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: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -888.120850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.120850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.120850 (E_RNA) where: Base-Base interactions energy: -586.273 where: short stacking energy: -263.753 Base-Backbone interact. energy: 0.187 local terms energy: -302.034439 where: bonds (distance) C4'-P energy: -60.106 bonds (distance) P-C4' energy: -56.837 flat angles C4'-P-C4' energy: -61.664 flat angles P-C4'-P energy: -43.970 tors. eta vs tors. theta energy: -79.458 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: 6, replica: 10 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -741.561579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.561579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.561579 (E_RNA) where: Base-Base interactions energy: -490.437 where: short stacking energy: -204.488 Base-Backbone interact. energy: -1.070 local terms energy: -250.054459 where: bonds (distance) C4'-P energy: -53.798 bonds (distance) P-C4' energy: -54.423 flat angles C4'-P-C4' energy: -60.294 flat angles P-C4'-P energy: -35.397 tors. eta vs tors. theta energy: -46.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -647.536058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.536058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.536058 (E_RNA) where: Base-Base interactions energy: -386.867 where: short stacking energy: -179.018 Base-Backbone interact. energy: -1.381 local terms energy: -259.287847 where: bonds (distance) C4'-P energy: -51.445 bonds (distance) P-C4' energy: -60.079 flat angles C4'-P-C4' energy: -58.318 flat angles P-C4'-P energy: -43.984 tors. eta vs tors. theta energy: -45.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -456.660953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.660953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.660953 (E_RNA) where: Base-Base interactions energy: -239.370 where: short stacking energy: -119.406 Base-Backbone interact. energy: -1.300 local terms energy: -215.991029 where: bonds (distance) C4'-P energy: -47.879 bonds (distance) P-C4' energy: -67.012 flat angles C4'-P-C4' energy: -59.445 flat angles P-C4'-P energy: -34.079 tors. eta vs tors. theta energy: -7.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -415.040107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.040107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.040107 (E_RNA) where: Base-Base interactions energy: -229.411 where: short stacking energy: -128.900 Base-Backbone interact. energy: 0.781 local terms energy: -186.409890 where: bonds (distance) C4'-P energy: -39.680 bonds (distance) P-C4' energy: -42.503 flat angles C4'-P-C4' energy: -54.809 flat angles P-C4'-P energy: -29.378 tors. eta vs tors. theta energy: -20.040 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: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -246.526429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.526429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.526429 (E_RNA) where: Base-Base interactions energy: -91.762 where: short stacking energy: -68.877 Base-Backbone interact. energy: -2.664 local terms energy: -152.099773 where: bonds (distance) C4'-P energy: -45.452 bonds (distance) P-C4' energy: -55.063 flat angles C4'-P-C4' energy: -38.753 flat angles P-C4'-P energy: -22.139 tors. eta vs tors. theta energy: 9.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1104.186534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.186534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.186534 (E_RNA) where: Base-Base interactions energy: -749.497 where: short stacking energy: -323.137 Base-Backbone interact. energy: -0.454 local terms energy: -354.235631 where: bonds (distance) C4'-P energy: -65.595 bonds (distance) P-C4' energy: -62.836 flat angles C4'-P-C4' energy: -76.087 flat angles P-C4'-P energy: -49.692 tors. eta vs tors. theta energy: -100.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1053.280063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.280063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.280063 (E_RNA) where: Base-Base interactions energy: -730.845 where: short stacking energy: -301.762 Base-Backbone interact. energy: -0.078 local terms energy: -322.357592 where: bonds (distance) C4'-P energy: -57.750 bonds (distance) P-C4' energy: -52.500 flat angles C4'-P-C4' energy: -68.115 flat angles P-C4'-P energy: -51.990 tors. eta vs tors. theta energy: -92.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1006.430327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.430327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.430327 (E_RNA) where: Base-Base interactions energy: -681.442 where: short stacking energy: -298.463 Base-Backbone interact. energy: -0.936 local terms energy: -324.051734 where: bonds (distance) C4'-P energy: -56.994 bonds (distance) P-C4' energy: -58.453 flat angles C4'-P-C4' energy: -71.239 flat angles P-C4'-P energy: -45.837 tors. eta vs tors. theta energy: -91.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -908.489142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.489142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.489142 (E_RNA) where: Base-Base interactions energy: -603.195 where: short stacking energy: -266.006 Base-Backbone interact. energy: -0.227 local terms energy: -305.067789 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -56.136 flat angles C4'-P-C4' energy: -62.986 flat angles P-C4'-P energy: -48.612 tors. eta vs tors. theta energy: -76.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -911.454488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.454488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.454488 (E_RNA) where: Base-Base interactions energy: -605.277 where: short stacking energy: -256.621 Base-Backbone interact. energy: -1.074 local terms energy: -305.103818 where: bonds (distance) C4'-P energy: -57.984 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -64.420 flat angles P-C4'-P energy: -39.289 tors. eta vs tors. theta energy: -82.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -696.334010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.334010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.334010 (E_RNA) where: Base-Base interactions energy: -448.578 where: short stacking energy: -187.043 Base-Backbone interact. energy: -1.024 local terms energy: -246.732161 where: bonds (distance) C4'-P energy: -50.792 bonds (distance) P-C4' energy: -46.291 flat angles C4'-P-C4' energy: -64.066 flat angles P-C4'-P energy: -39.223 tors. eta vs tors. theta energy: -46.360 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: 470 Temperature: 1.200000 Total energy: -612.809791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.809791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.809791 (E_RNA) where: Base-Base interactions energy: -353.531 where: short stacking energy: -162.097 Base-Backbone interact. energy: -1.543 local terms energy: -257.736636 where: bonds (distance) C4'-P energy: -63.660 bonds (distance) P-C4' energy: -67.637 flat angles C4'-P-C4' energy: -52.654 flat angles P-C4'-P energy: -39.307 tors. eta vs tors. theta energy: -34.479 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: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -489.520061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.520061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.520061 (E_RNA) where: Base-Base interactions energy: -255.290 where: short stacking energy: -136.694 Base-Backbone interact. energy: -1.109 local terms energy: -233.120700 where: bonds (distance) C4'-P energy: -66.695 bonds (distance) P-C4' energy: -57.159 flat angles C4'-P-C4' energy: -41.649 flat angles P-C4'-P energy: -43.288 tors. eta vs tors. theta energy: -24.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -398.633016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.633016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.633016 (E_RNA) where: Base-Base interactions energy: -222.758 where: short stacking energy: -109.920 Base-Backbone interact. energy: -0.397 local terms energy: -175.478277 where: bonds (distance) C4'-P energy: -45.853 bonds (distance) P-C4' energy: -50.013 flat angles C4'-P-C4' energy: -45.117 flat angles P-C4'-P energy: -34.781 tors. eta vs tors. theta energy: 0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -259.106594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.106594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.106594 (E_RNA) where: Base-Base interactions energy: -73.853 where: short stacking energy: -69.561 Base-Backbone interact. energy: -2.842 local terms energy: -182.411304 where: bonds (distance) C4'-P energy: -58.336 bonds (distance) P-C4' energy: -55.648 flat angles C4'-P-C4' energy: -42.165 flat angles P-C4'-P energy: -30.017 tors. eta vs tors. theta energy: 3.755 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: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1097.138346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.138346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.138346 (E_RNA) where: Base-Base interactions energy: -731.639 where: short stacking energy: -320.947 Base-Backbone interact. energy: -0.485 local terms energy: -365.013581 where: bonds (distance) C4'-P energy: -67.300 bonds (distance) P-C4' energy: -66.340 flat angles C4'-P-C4' energy: -79.882 flat angles P-C4'-P energy: -49.012 tors. eta vs tors. theta energy: -102.480 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: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1059.896255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.896255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.896255 (E_RNA) where: Base-Base interactions energy: -707.266 where: short stacking energy: -316.364 Base-Backbone interact. energy: -1.613 local terms energy: -351.017473 where: bonds (distance) C4'-P energy: -62.341 bonds (distance) P-C4' energy: -68.243 flat angles C4'-P-C4' energy: -71.063 flat angles P-C4'-P energy: -50.643 tors. eta vs tors. theta energy: -98.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -999.018810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.018810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.018810 (E_RNA) where: Base-Base interactions energy: -680.133 where: short stacking energy: -306.608 Base-Backbone interact. energy: -0.600 local terms energy: -318.286082 where: bonds (distance) C4'-P energy: -52.701 bonds (distance) P-C4' energy: -59.539 flat angles C4'-P-C4' energy: -71.469 flat angles P-C4'-P energy: -45.372 tors. eta vs tors. theta energy: -89.206 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: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -919.854793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.854793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.854793 (E_RNA) where: Base-Base interactions energy: -622.160 where: short stacking energy: -249.335 Base-Backbone interact. energy: 1.806 local terms energy: -299.501097 where: bonds (distance) C4'-P energy: -59.202 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -62.153 flat angles P-C4'-P energy: -36.027 tors. eta vs tors. theta energy: -82.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -914.112688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.112688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.112688 (E_RNA) where: Base-Base interactions energy: -620.393 where: short stacking energy: -276.768 Base-Backbone interact. energy: 0.020 local terms energy: -293.739143 where: bonds (distance) C4'-P energy: -51.308 bonds (distance) P-C4' energy: -46.039 flat angles C4'-P-C4' energy: -58.337 flat angles P-C4'-P energy: -49.607 tors. eta vs tors. theta energy: -88.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -710.505020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.505020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.505020 (E_RNA) where: Base-Base interactions energy: -451.560 where: short stacking energy: -200.803 Base-Backbone interact. energy: -2.147 local terms energy: -256.797522 where: bonds (distance) C4'-P energy: -43.437 bonds (distance) P-C4' energy: -65.841 flat angles C4'-P-C4' energy: -60.789 flat angles P-C4'-P energy: -35.917 tors. eta vs tors. theta energy: -50.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -632.372215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.372215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.372215 (E_RNA) where: Base-Base interactions energy: -390.858 where: short stacking energy: -189.055 Base-Backbone interact. energy: 1.893 local terms energy: -243.406462 where: bonds (distance) C4'-P energy: -49.482 bonds (distance) P-C4' energy: -61.834 flat angles C4'-P-C4' energy: -59.274 flat angles P-C4'-P energy: -25.048 tors. eta vs tors. theta energy: -47.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -491.912836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.912836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.912836 (E_RNA) where: Base-Base interactions energy: -276.201 where: short stacking energy: -141.865 Base-Backbone interact. energy: 0.649 local terms energy: -216.360283 where: bonds (distance) C4'-P energy: -64.802 bonds (distance) P-C4' energy: -53.644 flat angles C4'-P-C4' energy: -57.392 flat angles P-C4'-P energy: -29.571 tors. eta vs tors. theta energy: -10.951 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: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -434.435503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.435503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.435503 (E_RNA) where: Base-Base interactions energy: -234.365 where: short stacking energy: -116.106 Base-Backbone interact. energy: -2.086 local terms energy: -197.984549 where: bonds (distance) C4'-P energy: -55.305 bonds (distance) P-C4' energy: -50.980 flat angles C4'-P-C4' energy: -56.510 flat angles P-C4'-P energy: -25.326 tors. eta vs tors. theta energy: -9.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -265.068727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.068727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.068727 (E_RNA) where: Base-Base interactions energy: -81.144 where: short stacking energy: -58.477 Base-Backbone interact. energy: -0.007 local terms energy: -183.917667 where: bonds (distance) C4'-P energy: -48.419 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -53.351 flat angles P-C4'-P energy: -30.184 tors. eta vs tors. theta energy: 11.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1084.500742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.500742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.500742 (E_RNA) where: Base-Base interactions energy: -730.699 where: short stacking energy: -313.112 Base-Backbone interact. energy: -0.645 local terms energy: -353.156113 where: bonds (distance) C4'-P energy: -63.371 bonds (distance) P-C4' energy: -66.754 flat angles C4'-P-C4' energy: -72.159 flat angles P-C4'-P energy: -50.406 tors. eta vs tors. theta energy: -100.466 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: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1080.140386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.140386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.140386 (E_RNA) where: Base-Base interactions energy: -744.058 where: short stacking energy: -321.207 Base-Backbone interact. energy: 0.517 local terms energy: -336.599806 where: bonds (distance) C4'-P energy: -59.784 bonds (distance) P-C4' energy: -61.792 flat angles C4'-P-C4' energy: -70.854 flat angles P-C4'-P energy: -46.824 tors. eta vs tors. theta energy: -97.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1008.997103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.997103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.997103 (E_RNA) where: Base-Base interactions energy: -689.523 where: short stacking energy: -301.408 Base-Backbone interact. energy: -1.414 local terms energy: -318.060094 where: bonds (distance) C4'-P energy: -63.680 bonds (distance) P-C4' energy: -47.679 flat angles C4'-P-C4' energy: -67.393 flat angles P-C4'-P energy: -46.416 tors. eta vs tors. theta energy: -92.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -907.348742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.348742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.348742 (E_RNA) where: Base-Base interactions energy: -606.258 where: short stacking energy: -257.659 Base-Backbone interact. energy: -1.927 local terms energy: -299.164389 where: bonds (distance) C4'-P energy: -53.729 bonds (distance) P-C4' energy: -54.643 flat angles C4'-P-C4' energy: -73.369 flat angles P-C4'-P energy: -32.058 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: 5, replica: 1 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -893.317123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.317123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.317123 (E_RNA) where: Base-Base interactions energy: -566.275 where: short stacking energy: -256.155 Base-Backbone interact. energy: -0.751 local terms energy: -326.291714 where: bonds (distance) C4'-P energy: -71.385 bonds (distance) P-C4' energy: -55.728 flat angles C4'-P-C4' energy: -69.600 flat angles P-C4'-P energy: -48.211 tors. eta vs tors. theta energy: -81.368 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: 10 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -737.348775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.348775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.348775 (E_RNA) where: Base-Base interactions energy: -481.933 where: short stacking energy: -209.594 Base-Backbone interact. energy: 0.144 local terms energy: -255.559502 where: bonds (distance) C4'-P energy: -60.316 bonds (distance) P-C4' energy: -58.532 flat angles C4'-P-C4' energy: -61.136 flat angles P-C4'-P energy: -21.866 tors. eta vs tors. theta energy: -53.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -628.466250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.466250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.466250 (E_RNA) where: Base-Base interactions energy: -378.807 where: short stacking energy: -173.915 Base-Backbone interact. energy: 1.476 local terms energy: -251.134943 where: bonds (distance) C4'-P energy: -58.282 bonds (distance) P-C4' energy: -57.178 flat angles C4'-P-C4' energy: -60.120 flat angles P-C4'-P energy: -42.190 tors. eta vs tors. theta energy: -33.364 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: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -486.507911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.507911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.507911 (E_RNA) where: Base-Base interactions energy: -274.409 where: short stacking energy: -149.006 Base-Backbone interact. energy: -0.825 local terms energy: -211.274542 where: bonds (distance) C4'-P energy: -48.587 bonds (distance) P-C4' energy: -52.542 flat angles C4'-P-C4' energy: -55.991 flat angles P-C4'-P energy: -29.285 tors. eta vs tors. theta energy: -24.870 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: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -434.423711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.423711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.423711 (E_RNA) where: Base-Base interactions energy: -230.361 where: short stacking energy: -138.123 Base-Backbone interact. energy: -0.502 local terms energy: -203.561373 where: bonds (distance) C4'-P energy: -57.368 bonds (distance) P-C4' energy: -49.127 flat angles C4'-P-C4' energy: -47.789 flat angles P-C4'-P energy: -32.711 tors. eta vs tors. theta energy: -16.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -255.530582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.530582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.530582 (E_RNA) where: Base-Base interactions energy: -109.440 where: short stacking energy: -52.454 Base-Backbone interact. energy: -2.054 local terms energy: -144.036407 where: bonds (distance) C4'-P energy: -39.086 bonds (distance) P-C4' energy: -50.233 flat angles C4'-P-C4' energy: -41.409 flat angles P-C4'-P energy: -25.939 tors. eta vs tors. theta energy: 12.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1102.234148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.234148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.234148 (E_RNA) where: Base-Base interactions energy: -765.194 where: short stacking energy: -332.238 Base-Backbone interact. energy: -0.809 local terms energy: -336.230873 where: bonds (distance) C4'-P energy: -54.401 bonds (distance) P-C4' energy: -59.533 flat angles C4'-P-C4' energy: -74.893 flat angles P-C4'-P energy: -43.363 tors. eta vs tors. theta energy: -104.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1059.525810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.525810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.525810 (E_RNA) where: Base-Base interactions energy: -728.121 where: short stacking energy: -304.816 Base-Backbone interact. energy: -0.908 local terms energy: -330.496988 where: bonds (distance) C4'-P energy: -56.078 bonds (distance) P-C4' energy: -58.095 flat angles C4'-P-C4' energy: -71.710 flat angles P-C4'-P energy: -49.433 tors. eta vs tors. theta energy: -95.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1007.710957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.710957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.710957 (E_RNA) where: Base-Base interactions energy: -680.980 where: short stacking energy: -284.597 Base-Backbone interact. energy: -1.417 local terms energy: -325.314636 where: bonds (distance) C4'-P energy: -64.350 bonds (distance) P-C4' energy: -61.479 flat angles C4'-P-C4' energy: -59.331 flat angles P-C4'-P energy: -50.689 tors. eta vs tors. theta energy: -89.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -935.258215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.258215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.258215 (E_RNA) where: Base-Base interactions energy: -623.767 where: short stacking energy: -271.983 Base-Backbone interact. energy: -0.547 local terms energy: -310.944250 where: bonds (distance) C4'-P energy: -61.327 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -70.086 flat angles P-C4'-P energy: -38.795 tors. eta vs tors. theta energy: -80.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -880.661765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.661765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.661765 (E_RNA) where: Base-Base interactions energy: -595.834 where: short stacking energy: -239.836 Base-Backbone interact. energy: -0.918 local terms energy: -283.908877 where: bonds (distance) C4'-P energy: -51.798 bonds (distance) P-C4' energy: -57.540 flat angles C4'-P-C4' energy: -66.189 flat angles P-C4'-P energy: -39.398 tors. eta vs tors. theta energy: -68.983 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: 10 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -728.985589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.985589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.985589 (E_RNA) where: Base-Base interactions energy: -485.627 where: short stacking energy: -221.909 Base-Backbone interact. energy: -1.347 local terms energy: -242.011841 where: bonds (distance) C4'-P energy: -46.238 bonds (distance) P-C4' energy: -49.118 flat angles C4'-P-C4' energy: -54.250 flat angles P-C4'-P energy: -26.074 tors. eta vs tors. theta energy: -66.332 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: 6 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -628.640770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.640770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.640770 (E_RNA) where: Base-Base interactions energy: -370.777 where: short stacking energy: -156.013 Base-Backbone interact. energy: -0.345 local terms energy: -257.518455 where: bonds (distance) C4'-P energy: -52.538 bonds (distance) P-C4' energy: -68.752 flat angles C4'-P-C4' energy: -56.182 flat angles P-C4'-P energy: -36.508 tors. eta vs tors. theta energy: -43.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -457.821807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.821807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.821807 (E_RNA) where: Base-Base interactions energy: -248.872 where: short stacking energy: -136.666 Base-Backbone interact. energy: -1.085 local terms energy: -207.864672 where: bonds (distance) C4'-P energy: -42.075 bonds (distance) P-C4' energy: -59.525 flat angles C4'-P-C4' energy: -51.472 flat angles P-C4'-P energy: -24.711 tors. eta vs tors. theta energy: -30.082 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: 9, replica: 4 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -473.771552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.771552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.771552 (E_RNA) where: Base-Base interactions energy: -258.532 where: short stacking energy: -137.029 Base-Backbone interact. energy: -1.382 local terms energy: -213.857649 where: bonds (distance) C4'-P energy: -50.689 bonds (distance) P-C4' energy: -43.446 flat angles C4'-P-C4' energy: -50.298 flat angles P-C4'-P energy: -39.614 tors. eta vs tors. theta energy: -29.810 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: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -264.836785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.836785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.836785 (E_RNA) where: Base-Base interactions energy: -102.479 where: short stacking energy: -73.110 Base-Backbone interact. energy: -0.142 local terms energy: -162.215775 where: bonds (distance) C4'-P energy: -53.680 bonds (distance) P-C4' energy: -55.812 flat angles C4'-P-C4' energy: -44.751 flat angles P-C4'-P energy: -13.932 tors. eta vs tors. theta energy: 5.960 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: 7 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1120.959692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.959692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.959692 (E_RNA) where: Base-Base interactions energy: -768.872 where: short stacking energy: -325.621 Base-Backbone interact. energy: -0.499 local terms energy: -351.589054 where: bonds (distance) C4'-P energy: -63.324 bonds (distance) P-C4' energy: -65.640 flat angles C4'-P-C4' energy: -73.036 flat angles P-C4'-P energy: -48.119 tors. eta vs tors. theta energy: -101.470 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: 2, replica: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1055.474901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.474901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.474901 (E_RNA) where: Base-Base interactions energy: -726.123 where: short stacking energy: -320.553 Base-Backbone interact. energy: -0.534 local terms energy: -328.818401 where: bonds (distance) C4'-P energy: -59.715 bonds (distance) P-C4' energy: -55.858 flat angles C4'-P-C4' energy: -68.889 flat angles P-C4'-P energy: -48.311 tors. eta vs tors. theta energy: -96.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1007.707739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.707739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.707739 (E_RNA) where: Base-Base interactions energy: -674.828 where: short stacking energy: -287.170 Base-Backbone interact. energy: -2.362 local terms energy: -330.517912 where: bonds (distance) C4'-P energy: -62.385 bonds (distance) P-C4' energy: -57.884 flat angles C4'-P-C4' energy: -62.162 flat angles P-C4'-P energy: -47.906 tors. eta vs tors. theta energy: -100.182 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: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -962.153076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.153076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.153076 (E_RNA) where: Base-Base interactions energy: -656.899 where: short stacking energy: -303.422 Base-Backbone interact. energy: -0.737 local terms energy: -304.516760 where: bonds (distance) C4'-P energy: -61.609 bonds (distance) P-C4' energy: -54.551 flat angles C4'-P-C4' energy: -64.258 flat angles P-C4'-P energy: -37.512 tors. eta vs tors. theta energy: -86.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -854.850498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.850498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.850498 (E_RNA) where: Base-Base interactions energy: -578.359 where: short stacking energy: -229.796 Base-Backbone interact. energy: -1.500 local terms energy: -274.991616 where: bonds (distance) C4'-P energy: -56.032 bonds (distance) P-C4' energy: -56.157 flat angles C4'-P-C4' energy: -59.499 flat angles P-C4'-P energy: -29.066 tors. eta vs tors. theta energy: -74.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -752.971900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.971900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.971900 (E_RNA) where: Base-Base interactions energy: -505.924 where: short stacking energy: -219.170 Base-Backbone interact. energy: -2.130 local terms energy: -244.917687 where: bonds (distance) C4'-P energy: -46.612 bonds (distance) P-C4' energy: -53.177 flat angles C4'-P-C4' energy: -53.809 flat angles P-C4'-P energy: -41.282 tors. eta vs tors. theta energy: -50.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -699.639887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.639887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.639887 (E_RNA) where: Base-Base interactions energy: -452.192 where: short stacking energy: -197.822 Base-Backbone interact. energy: 1.569 local terms energy: -249.017394 where: bonds (distance) C4'-P energy: -49.505 bonds (distance) P-C4' energy: -43.823 flat angles C4'-P-C4' energy: -58.590 flat angles P-C4'-P energy: -40.347 tors. eta vs tors. theta energy: -56.753 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: 3 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -448.597707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.597707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.597707 (E_RNA) where: Base-Base interactions energy: -239.212 where: short stacking energy: -140.833 Base-Backbone interact. energy: -0.127 local terms energy: -209.259056 where: bonds (distance) C4'-P energy: -48.081 bonds (distance) P-C4' energy: -56.895 flat angles C4'-P-C4' energy: -50.538 flat angles P-C4'-P energy: -26.551 tors. eta vs tors. theta energy: -27.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -452.951231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.951231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.951231 (E_RNA) where: Base-Base interactions energy: -259.106 where: short stacking energy: -115.758 Base-Backbone interact. energy: 1.358 local terms energy: -195.203205 where: bonds (distance) C4'-P energy: -50.702 bonds (distance) P-C4' energy: -52.312 flat angles C4'-P-C4' energy: -33.802 flat angles P-C4'-P energy: -43.584 tors. eta vs tors. theta energy: -14.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -249.392118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.392118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.392118 (E_RNA) where: Base-Base interactions energy: -88.812 where: short stacking energy: -60.921 Base-Backbone interact. energy: 2.153 local terms energy: -162.733137 where: bonds (distance) C4'-P energy: -44.591 bonds (distance) P-C4' energy: -57.674 flat angles C4'-P-C4' energy: -51.630 flat angles P-C4'-P energy: -28.240 tors. eta vs tors. theta energy: 19.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1102.624305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.624305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.624305 (E_RNA) where: Base-Base interactions energy: -750.405 where: short stacking energy: -313.614 Base-Backbone interact. energy: -0.454 local terms energy: -351.765238 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -63.287 flat angles C4'-P-C4' energy: -77.994 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -102.013 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: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1055.831536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.831536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.831536 (E_RNA) where: Base-Base interactions energy: -731.751 where: short stacking energy: -314.491 Base-Backbone interact. energy: -1.189 local terms energy: -322.891167 where: bonds (distance) C4'-P energy: -59.634 bonds (distance) P-C4' energy: -60.734 flat angles C4'-P-C4' energy: -61.352 flat angles P-C4'-P energy: -52.347 tors. eta vs tors. theta energy: -88.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1013.029766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.029766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.029766 (E_RNA) where: Base-Base interactions energy: -676.204 where: short stacking energy: -306.071 Base-Backbone interact. energy: -0.428 local terms energy: -336.397635 where: bonds (distance) C4'-P energy: -64.569 bonds (distance) P-C4' energy: -53.999 flat angles C4'-P-C4' energy: -71.259 flat angles P-C4'-P energy: -49.588 tors. eta vs tors. theta energy: -96.983 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: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -937.309900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.309900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.309900 (E_RNA) where: Base-Base interactions energy: -630.999 where: short stacking energy: -282.728 Base-Backbone interact. energy: -0.115 local terms energy: -306.196213 where: bonds (distance) C4'-P energy: -55.314 bonds (distance) P-C4' energy: -60.221 flat angles C4'-P-C4' energy: -66.010 flat angles P-C4'-P energy: -37.318 tors. eta vs tors. theta energy: -87.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -864.498461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.498461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.498461 (E_RNA) where: Base-Base interactions energy: -586.803 where: short stacking energy: -238.524 Base-Backbone interact. energy: 1.941 local terms energy: -279.636623 where: bonds (distance) C4'-P energy: -42.493 bonds (distance) P-C4' energy: -56.103 flat angles C4'-P-C4' energy: -60.664 flat angles P-C4'-P energy: -40.525 tors. eta vs tors. theta energy: -79.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -773.362895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.362895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.362895 (E_RNA) where: Base-Base interactions energy: -509.902 where: short stacking energy: -213.445 Base-Backbone interact. energy: -0.478 local terms energy: -262.983531 where: bonds (distance) C4'-P energy: -55.068 bonds (distance) P-C4' energy: -52.541 flat angles C4'-P-C4' energy: -55.670 flat angles P-C4'-P energy: -43.588 tors. eta vs tors. theta energy: -56.117 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: 6 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -655.334840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.334840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.334840 (E_RNA) where: Base-Base interactions energy: -401.845 where: short stacking energy: -184.590 Base-Backbone interact. energy: 0.674 local terms energy: -254.164081 where: bonds (distance) C4'-P energy: -49.950 bonds (distance) P-C4' energy: -57.695 flat angles C4'-P-C4' energy: -59.962 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: -45.774 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: 4 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -506.758462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.758462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.758462 (E_RNA) where: Base-Base interactions energy: -274.362 where: short stacking energy: -131.081 Base-Backbone interact. energy: 4.309 local terms energy: -236.705274 where: bonds (distance) C4'-P energy: -64.803 bonds (distance) P-C4' energy: -64.034 flat angles C4'-P-C4' energy: -60.415 flat angles P-C4'-P energy: -34.911 tors. eta vs tors. theta energy: -12.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -419.761432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.761432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.761432 (E_RNA) where: Base-Base interactions energy: -224.044 where: short stacking energy: -113.996 Base-Backbone interact. energy: -3.397 local terms energy: -192.320235 where: bonds (distance) C4'-P energy: -59.181 bonds (distance) P-C4' energy: -52.558 flat angles C4'-P-C4' energy: -47.970 flat angles P-C4'-P energy: -21.017 tors. eta vs tors. theta energy: -11.594 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: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -261.106125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.106125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.106125 (E_RNA) where: Base-Base interactions energy: -93.840 where: short stacking energy: -81.061 Base-Backbone interact. energy: -1.318 local terms energy: -165.947964 where: bonds (distance) C4'-P energy: -46.532 bonds (distance) P-C4' energy: -48.577 flat angles C4'-P-C4' energy: -45.315 flat angles P-C4'-P energy: -35.551 tors. eta vs tors. theta energy: 10.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1105.700318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.700318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.700318 (E_RNA) where: Base-Base interactions energy: -747.241 where: short stacking energy: -322.948 Base-Backbone interact. energy: -1.089 local terms energy: -357.370051 where: bonds (distance) C4'-P energy: -60.348 bonds (distance) P-C4' energy: -64.433 flat angles C4'-P-C4' energy: -76.546 flat angles P-C4'-P energy: -51.413 tors. eta vs tors. theta energy: -104.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1049.964575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.964575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.964575 (E_RNA) where: Base-Base interactions energy: -730.547 where: short stacking energy: -300.179 Base-Backbone interact. energy: -0.683 local terms energy: -318.734298 where: bonds (distance) C4'-P energy: -58.432 bonds (distance) P-C4' energy: -54.476 flat angles C4'-P-C4' energy: -71.195 flat angles P-C4'-P energy: -46.231 tors. eta vs tors. theta energy: -88.400 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: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1011.094925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.094925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.094925 (E_RNA) where: Base-Base interactions energy: -689.063 where: short stacking energy: -307.294 Base-Backbone interact. energy: -0.349 local terms energy: -321.682943 where: bonds (distance) C4'-P energy: -58.002 bonds (distance) P-C4' energy: -49.873 flat angles C4'-P-C4' energy: -68.361 flat angles P-C4'-P energy: -47.661 tors. eta vs tors. theta energy: -97.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -934.884829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.884829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.884829 (E_RNA) where: Base-Base interactions energy: -623.206 where: short stacking energy: -282.127 Base-Backbone interact. energy: -1.874 local terms energy: -309.804594 where: bonds (distance) C4'-P energy: -64.236 bonds (distance) P-C4' energy: -57.851 flat angles C4'-P-C4' energy: -70.290 flat angles P-C4'-P energy: -33.320 tors. eta vs tors. theta energy: -84.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -878.892198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.892198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.892198 (E_RNA) where: Base-Base interactions energy: -585.746 where: short stacking energy: -265.329 Base-Backbone interact. energy: -0.460 local terms energy: -292.685950 where: bonds (distance) C4'-P energy: -61.687 bonds (distance) P-C4' energy: -56.313 flat angles C4'-P-C4' energy: -66.925 flat angles P-C4'-P energy: -35.861 tors. eta vs tors. theta energy: -71.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -710.273104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.273104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.273104 (E_RNA) where: Base-Base interactions energy: -441.142 where: short stacking energy: -189.612 Base-Backbone interact. energy: -0.740 local terms energy: -268.391018 where: bonds (distance) C4'-P energy: -62.484 bonds (distance) P-C4' energy: -56.886 flat angles C4'-P-C4' energy: -57.613 flat angles P-C4'-P energy: -39.264 tors. eta vs tors. theta energy: -52.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -685.483371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.483371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.483371 (E_RNA) where: Base-Base interactions energy: -431.640 where: short stacking energy: -192.299 Base-Backbone interact. energy: -0.579 local terms energy: -253.264126 where: bonds (distance) C4'-P energy: -57.726 bonds (distance) P-C4' energy: -53.204 flat angles C4'-P-C4' energy: -58.870 flat angles P-C4'-P energy: -35.973 tors. eta vs tors. theta energy: -47.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -501.553208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.553208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.553208 (E_RNA) where: Base-Base interactions energy: -276.230 where: short stacking energy: -142.055 Base-Backbone interact. energy: 0.868 local terms energy: -226.191577 where: bonds (distance) C4'-P energy: -57.828 bonds (distance) P-C4' energy: -53.200 flat angles C4'-P-C4' energy: -62.951 flat angles P-C4'-P energy: -22.629 tors. eta vs tors. theta energy: -29.584 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: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -447.666521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.666521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.666521 (E_RNA) where: Base-Base interactions energy: -236.738 where: short stacking energy: -134.919 Base-Backbone interact. energy: -1.043 local terms energy: -209.885330 where: bonds (distance) C4'-P energy: -44.355 bonds (distance) P-C4' energy: -54.793 flat angles C4'-P-C4' energy: -53.606 flat angles P-C4'-P energy: -40.585 tors. eta vs tors. theta energy: -16.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -260.639068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.639068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.639068 (E_RNA) where: Base-Base interactions energy: -103.558 where: short stacking energy: -59.873 Base-Backbone interact. energy: -2.056 local terms energy: -155.025166 where: bonds (distance) C4'-P energy: -52.571 bonds (distance) P-C4' energy: -52.472 flat angles C4'-P-C4' energy: -46.096 flat angles P-C4'-P energy: -25.509 tors. eta vs tors. theta energy: 21.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1126.282418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.282418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.282418 (E_RNA) where: Base-Base interactions energy: -759.023 where: short stacking energy: -318.782 Base-Backbone interact. energy: -0.176 local terms energy: -367.083348 where: bonds (distance) C4'-P energy: -64.198 bonds (distance) P-C4' energy: -70.700 flat angles C4'-P-C4' energy: -75.334 flat angles P-C4'-P energy: -45.021 tors. eta vs tors. theta energy: -111.831 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: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1058.870686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.870686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.870686 (E_RNA) where: Base-Base interactions energy: -730.163 where: short stacking energy: -313.102 Base-Backbone interact. energy: 0.640 local terms energy: -329.347750 where: bonds (distance) C4'-P energy: -57.247 bonds (distance) P-C4' energy: -57.718 flat angles C4'-P-C4' energy: -69.848 flat angles P-C4'-P energy: -49.149 tors. eta vs tors. theta energy: -95.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1018.704140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.704140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.704140 (E_RNA) where: Base-Base interactions energy: -670.196 where: short stacking energy: -290.614 Base-Backbone interact. energy: 1.655 local terms energy: -350.163791 where: bonds (distance) C4'-P energy: -65.664 bonds (distance) P-C4' energy: -67.993 flat angles C4'-P-C4' energy: -73.810 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -94.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -887.564042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.564042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.564042 (E_RNA) where: Base-Base interactions energy: -570.183 where: short stacking energy: -232.180 Base-Backbone interact. energy: -0.815 local terms energy: -316.565317 where: bonds (distance) C4'-P energy: -64.743 bonds (distance) P-C4' energy: -74.070 flat angles C4'-P-C4' energy: -68.960 flat angles P-C4'-P energy: -40.733 tors. eta vs tors. theta energy: -68.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -899.378822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.378822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.378822 (E_RNA) where: Base-Base interactions energy: -600.432 where: short stacking energy: -266.481 Base-Backbone interact. energy: -0.907 local terms energy: -298.039735 where: bonds (distance) C4'-P energy: -49.468 bonds (distance) P-C4' energy: -65.793 flat angles C4'-P-C4' energy: -67.636 flat angles P-C4'-P energy: -42.350 tors. eta vs tors. theta energy: -72.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -720.428929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.428929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.428929 (E_RNA) where: Base-Base interactions energy: -455.954 where: short stacking energy: -200.761 Base-Backbone interact. energy: -1.056 local terms energy: -263.419694 where: bonds (distance) C4'-P energy: -53.299 bonds (distance) P-C4' energy: -63.103 flat angles C4'-P-C4' energy: -61.773 flat angles P-C4'-P energy: -34.676 tors. eta vs tors. theta energy: -50.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -650.919871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.919871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.919871 (E_RNA) where: Base-Base interactions energy: -408.087 where: short stacking energy: -188.128 Base-Backbone interact. energy: -2.076 local terms energy: -240.757320 where: bonds (distance) C4'-P energy: -55.059 bonds (distance) P-C4' energy: -50.223 flat angles C4'-P-C4' energy: -60.044 flat angles P-C4'-P energy: -33.457 tors. eta vs tors. theta energy: -41.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -527.308140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.308140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.308140 (E_RNA) where: Base-Base interactions energy: -318.089 where: short stacking energy: -150.832 Base-Backbone interact. energy: 0.823 local terms energy: -210.041919 where: bonds (distance) C4'-P energy: -54.825 bonds (distance) P-C4' energy: -69.868 flat angles C4'-P-C4' energy: -42.387 flat angles P-C4'-P energy: -18.292 tors. eta vs tors. theta energy: -24.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -418.317441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.317441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.317441 (E_RNA) where: Base-Base interactions energy: -217.832 where: short stacking energy: -133.767 Base-Backbone interact. energy: -0.726 local terms energy: -199.758944 where: bonds (distance) C4'-P energy: -52.603 bonds (distance) P-C4' energy: -51.949 flat angles C4'-P-C4' energy: -45.189 flat angles P-C4'-P energy: -35.328 tors. eta vs tors. theta energy: -14.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -256.545368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.545368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.545368 (E_RNA) where: Base-Base interactions energy: -80.320 where: short stacking energy: -63.250 Base-Backbone interact. energy: -2.697 local terms energy: -173.527733 where: bonds (distance) C4'-P energy: -56.629 bonds (distance) P-C4' energy: -55.662 flat angles C4'-P-C4' energy: -45.369 flat angles P-C4'-P energy: -26.822 tors. eta vs tors. theta energy: 10.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1113.348210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.348210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.348210 (E_RNA) where: Base-Base interactions energy: -758.713 where: short stacking energy: -316.975 Base-Backbone interact. energy: -0.620 local terms energy: -354.014457 where: bonds (distance) C4'-P energy: -59.535 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -72.675 flat angles P-C4'-P energy: -52.063 tors. eta vs tors. theta energy: -104.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1077.129782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.129782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.129782 (E_RNA) where: Base-Base interactions energy: -745.457 where: short stacking energy: -326.803 Base-Backbone interact. energy: -0.364 local terms energy: -331.308191 where: bonds (distance) C4'-P energy: -50.869 bonds (distance) P-C4' energy: -59.953 flat angles C4'-P-C4' energy: -73.134 flat angles P-C4'-P energy: -52.882 tors. eta vs tors. theta energy: -94.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1019.626147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.626147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.626147 (E_RNA) where: Base-Base interactions energy: -684.709 where: short stacking energy: -308.275 Base-Backbone interact. energy: -1.159 local terms energy: -333.757555 where: bonds (distance) C4'-P energy: -62.245 bonds (distance) P-C4' energy: -66.651 flat angles C4'-P-C4' energy: -72.223 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: -89.388 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: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -874.709640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.709640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.709640 (E_RNA) where: Base-Base interactions energy: -596.703 where: short stacking energy: -242.749 Base-Backbone interact. energy: -2.841 local terms energy: -275.165849 where: bonds (distance) C4'-P energy: -50.118 bonds (distance) P-C4' energy: -52.573 flat angles C4'-P-C4' energy: -60.320 flat angles P-C4'-P energy: -35.582 tors. eta vs tors. theta energy: -76.572 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: 1 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -854.295524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.295524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.295524 (E_RNA) where: Base-Base interactions energy: -561.769 where: short stacking energy: -247.583 Base-Backbone interact. energy: -1.727 local terms energy: -290.799009 where: bonds (distance) C4'-P energy: -52.077 bonds (distance) P-C4' energy: -54.134 flat angles C4'-P-C4' energy: -66.544 flat angles P-C4'-P energy: -45.010 tors. eta vs tors. theta energy: -73.035 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: 10 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -715.438885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.438885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.438885 (E_RNA) where: Base-Base interactions energy: -447.187 where: short stacking energy: -209.422 Base-Backbone interact. energy: -0.453 local terms energy: -267.799066 where: bonds (distance) C4'-P energy: -58.259 bonds (distance) P-C4' energy: -53.533 flat angles C4'-P-C4' energy: -60.956 flat angles P-C4'-P energy: -34.358 tors. eta vs tors. theta energy: -60.693 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: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -705.987201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.987201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.987201 (E_RNA) where: Base-Base interactions energy: -452.027 where: short stacking energy: -212.596 Base-Backbone interact. energy: 0.577 local terms energy: -254.537492 where: bonds (distance) C4'-P energy: -60.750 bonds (distance) P-C4' energy: -51.439 flat angles C4'-P-C4' energy: -65.525 flat angles P-C4'-P energy: -32.818 tors. eta vs tors. theta energy: -44.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -558.427837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.427837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.427837 (E_RNA) where: Base-Base interactions energy: -316.462 where: short stacking energy: -160.649 Base-Backbone interact. energy: 1.258 local terms energy: -243.223828 where: bonds (distance) C4'-P energy: -38.081 bonds (distance) P-C4' energy: -63.482 flat angles C4'-P-C4' energy: -58.229 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -42.312 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: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -437.158227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.158227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.158227 (E_RNA) where: Base-Base interactions energy: -234.181 where: short stacking energy: -119.394 Base-Backbone interact. energy: 0.717 local terms energy: -203.694774 where: bonds (distance) C4'-P energy: -52.353 bonds (distance) P-C4' energy: -61.013 flat angles C4'-P-C4' energy: -48.645 flat angles P-C4'-P energy: -28.658 tors. eta vs tors. theta energy: -13.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -256.675456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.675456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.675456 (E_RNA) where: Base-Base interactions energy: -85.386 where: short stacking energy: -79.797 Base-Backbone interact. energy: 2.732 local terms energy: -174.022204 where: bonds (distance) C4'-P energy: -49.488 bonds (distance) P-C4' energy: -55.112 flat angles C4'-P-C4' energy: -41.385 flat angles P-C4'-P energy: -26.982 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1120.210609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.210609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.210609 (E_RNA) where: Base-Base interactions energy: -759.006 where: short stacking energy: -338.442 Base-Backbone interact. energy: -0.118 local terms energy: -361.086369 where: bonds (distance) C4'-P energy: -62.596 bonds (distance) P-C4' energy: -61.834 flat angles C4'-P-C4' energy: -71.293 flat angles P-C4'-P energy: -57.000 tors. eta vs tors. theta energy: -108.364 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: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1064.482793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.482793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.482793 (E_RNA) where: Base-Base interactions energy: -728.901 where: short stacking energy: -310.249 Base-Backbone interact. energy: -1.379 local terms energy: -334.203647 where: bonds (distance) C4'-P energy: -66.732 bonds (distance) P-C4' energy: -59.713 flat angles C4'-P-C4' energy: -71.472 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: -93.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1018.683581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.683581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.683581 (E_RNA) where: Base-Base interactions energy: -697.943 where: short stacking energy: -298.670 Base-Backbone interact. energy: -1.663 local terms energy: -319.077807 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -57.252 flat angles C4'-P-C4' energy: -68.023 flat angles P-C4'-P energy: -35.370 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: 4, replica: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -887.488827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.488827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.488827 (E_RNA) where: Base-Base interactions energy: -573.198 where: short stacking energy: -237.127 Base-Backbone interact. energy: -0.805 local terms energy: -313.485881 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -65.620 flat angles C4'-P-C4' energy: -64.038 flat angles P-C4'-P energy: -40.879 tors. eta vs tors. theta energy: -79.031 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: 5, replica: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -906.060371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.060371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.060371 (E_RNA) where: Base-Base interactions energy: -609.955 where: short stacking energy: -255.968 Base-Backbone interact. energy: -1.290 local terms energy: -294.815517 where: bonds (distance) C4'-P energy: -55.889 bonds (distance) P-C4' energy: -53.141 flat angles C4'-P-C4' energy: -67.146 flat angles P-C4'-P energy: -46.733 tors. eta vs tors. theta energy: -71.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -731.123803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.123803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.123803 (E_RNA) where: Base-Base interactions energy: -438.705 where: short stacking energy: -214.332 Base-Backbone interact. energy: -1.034 local terms energy: -291.384722 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -63.586 flat angles C4'-P-C4' energy: -63.026 flat angles P-C4'-P energy: -40.005 tors. eta vs tors. theta energy: -61.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -646.173392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.173392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.173392 (E_RNA) where: Base-Base interactions energy: -395.576 where: short stacking energy: -172.974 Base-Backbone interact. energy: -1.587 local terms energy: -249.010326 where: bonds (distance) C4'-P energy: -47.295 bonds (distance) P-C4' energy: -51.501 flat angles C4'-P-C4' energy: -64.787 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -45.727 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: 4 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -588.916885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.916885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.916885 (E_RNA) where: Base-Base interactions energy: -344.630 where: short stacking energy: -173.190 Base-Backbone interact. energy: -0.883 local terms energy: -243.403485 where: bonds (distance) C4'-P energy: -55.925 bonds (distance) P-C4' energy: -51.228 flat angles C4'-P-C4' energy: -56.849 flat angles P-C4'-P energy: -36.953 tors. eta vs tors. theta energy: -42.449 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: 3 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -415.544599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.544599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.544599 (E_RNA) where: Base-Base interactions energy: -223.028 where: short stacking energy: -117.989 Base-Backbone interact. energy: 3.929 local terms energy: -196.445042 where: bonds (distance) C4'-P energy: -62.808 bonds (distance) P-C4' energy: -42.320 flat angles C4'-P-C4' energy: -53.877 flat angles P-C4'-P energy: -32.133 tors. eta vs tors. theta energy: -5.307 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: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -256.565109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.565109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.565109 (E_RNA) where: Base-Base interactions energy: -84.348 where: short stacking energy: -63.145 Base-Backbone interact. energy: 1.057 local terms energy: -173.273978 where: bonds (distance) C4'-P energy: -38.359 bonds (distance) P-C4' energy: -65.367 flat angles C4'-P-C4' energy: -54.680 flat angles P-C4'-P energy: -25.936 tors. eta vs tors. theta energy: 11.068 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: 7 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1110.727779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.727779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.727779 (E_RNA) where: Base-Base interactions energy: -763.429 where: short stacking energy: -325.784 Base-Backbone interact. energy: -0.802 local terms energy: -346.497138 where: bonds (distance) C4'-P energy: -62.071 bonds (distance) P-C4' energy: -63.821 flat angles C4'-P-C4' energy: -72.157 flat angles P-C4'-P energy: -40.919 tors. eta vs tors. theta energy: -107.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1054.336269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.336269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.336269 (E_RNA) where: Base-Base interactions energy: -721.777 where: short stacking energy: -313.248 Base-Backbone interact. energy: -1.253 local terms energy: -331.306756 where: bonds (distance) C4'-P energy: -56.081 bonds (distance) P-C4' energy: -60.826 flat angles C4'-P-C4' energy: -70.399 flat angles P-C4'-P energy: -53.799 tors. eta vs tors. theta energy: -90.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1030.316854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.316854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.316854 (E_RNA) where: Base-Base interactions energy: -692.977 where: short stacking energy: -302.513 Base-Backbone interact. energy: -1.089 local terms energy: -336.250158 where: bonds (distance) C4'-P energy: -57.437 bonds (distance) P-C4' energy: -63.241 flat angles C4'-P-C4' energy: -73.831 flat angles P-C4'-P energy: -42.052 tors. eta vs tors. theta energy: -99.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -900.036302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.036302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.036302 (E_RNA) where: Base-Base interactions energy: -612.952 where: short stacking energy: -249.291 Base-Backbone interact. energy: -1.762 local terms energy: -285.322058 where: bonds (distance) C4'-P energy: -50.604 bonds (distance) P-C4' energy: -67.154 flat angles C4'-P-C4' energy: -69.248 flat angles P-C4'-P energy: -31.018 tors. eta vs tors. theta energy: -67.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -887.122490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.122490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.122490 (E_RNA) where: Base-Base interactions energy: -585.354 where: short stacking energy: -238.501 Base-Backbone interact. energy: -1.530 local terms energy: -300.238534 where: bonds (distance) C4'-P energy: -49.699 bonds (distance) P-C4' energy: -68.592 flat angles C4'-P-C4' energy: -63.172 flat angles P-C4'-P energy: -41.214 tors. eta vs tors. theta energy: -77.561 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: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -771.109370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.109370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.109370 (E_RNA) where: Base-Base interactions energy: -501.243 where: short stacking energy: -232.870 Base-Backbone interact. energy: 0.233 local terms energy: -270.099274 where: bonds (distance) C4'-P energy: -46.004 bonds (distance) P-C4' energy: -52.223 flat angles C4'-P-C4' energy: -70.156 flat angles P-C4'-P energy: -30.007 tors. eta vs tors. theta energy: -71.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -679.598231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.598231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.598231 (E_RNA) where: Base-Base interactions energy: -413.995 where: short stacking energy: -173.431 Base-Backbone interact. energy: -1.138 local terms energy: -264.465223 where: bonds (distance) C4'-P energy: -60.406 bonds (distance) P-C4' energy: -66.708 flat angles C4'-P-C4' energy: -52.435 flat angles P-C4'-P energy: -36.833 tors. eta vs tors. theta energy: -48.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -502.349858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.349858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.349858 (E_RNA) where: Base-Base interactions energy: -289.525 where: short stacking energy: -135.091 Base-Backbone interact. energy: -0.921 local terms energy: -211.903743 where: bonds (distance) C4'-P energy: -58.465 bonds (distance) P-C4' energy: -58.998 flat angles C4'-P-C4' energy: -51.314 flat angles P-C4'-P energy: -29.632 tors. eta vs tors. theta energy: -13.496 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: 3 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -443.454836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.454836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.454836 (E_RNA) where: Base-Base interactions energy: -213.387 where: short stacking energy: -120.569 Base-Backbone interact. energy: -0.296 local terms energy: -229.771491 where: bonds (distance) C4'-P energy: -51.423 bonds (distance) P-C4' energy: -53.696 flat angles C4'-P-C4' energy: -68.225 flat angles P-C4'-P energy: -35.103 tors. eta vs tors. theta energy: -21.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -253.385210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.385210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.385210 (E_RNA) where: Base-Base interactions energy: -110.023 where: short stacking energy: -85.799 Base-Backbone interact. energy: -1.860 local terms energy: -141.502611 where: bonds (distance) C4'-P energy: -45.936 bonds (distance) P-C4' energy: -50.874 flat angles C4'-P-C4' energy: -37.653 flat angles P-C4'-P energy: -11.684 tors. eta vs tors. theta energy: 4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1117.102708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.102708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.102708 (E_RNA) where: Base-Base interactions energy: -751.301 where: short stacking energy: -326.563 Base-Backbone interact. energy: -0.831 local terms energy: -364.970781 where: bonds (distance) C4'-P energy: -62.904 bonds (distance) P-C4' energy: -70.386 flat angles C4'-P-C4' energy: -75.950 flat angles P-C4'-P energy: -51.373 tors. eta vs tors. theta energy: -104.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1072.998266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.998266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.998266 (E_RNA) where: Base-Base interactions energy: -734.192 where: short stacking energy: -328.751 Base-Backbone interact. energy: -1.304 local terms energy: -337.502321 where: bonds (distance) C4'-P energy: -64.395 bonds (distance) P-C4' energy: -60.601 flat angles C4'-P-C4' energy: -66.288 flat angles P-C4'-P energy: -46.939 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: 3, replica: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1017.337572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.337572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.337572 (E_RNA) where: Base-Base interactions energy: -685.382 where: short stacking energy: -300.005 Base-Backbone interact. energy: -1.156 local terms energy: -330.799062 where: bonds (distance) C4'-P energy: -62.483 bonds (distance) P-C4' energy: -59.603 flat angles C4'-P-C4' energy: -62.421 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -95.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -949.955698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.955698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.955698 (E_RNA) where: Base-Base interactions energy: -635.876 where: short stacking energy: -280.054 Base-Backbone interact. energy: -1.146 local terms energy: -312.933642 where: bonds (distance) C4'-P energy: -56.531 bonds (distance) P-C4' energy: -60.097 flat angles C4'-P-C4' energy: -62.845 flat angles P-C4'-P energy: -43.220 tors. eta vs tors. theta energy: -90.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -860.946656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.946656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.946656 (E_RNA) where: Base-Base interactions energy: -592.521 where: short stacking energy: -240.392 Base-Backbone interact. energy: -2.458 local terms energy: -265.967239 where: bonds (distance) C4'-P energy: -54.586 bonds (distance) P-C4' energy: -44.484 flat angles C4'-P-C4' energy: -62.046 flat angles P-C4'-P energy: -44.088 tors. eta vs tors. theta energy: -60.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -810.931389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.931389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.931389 (E_RNA) where: Base-Base interactions energy: -525.563 where: short stacking energy: -225.861 Base-Backbone interact. energy: 0.157 local terms energy: -285.525040 where: bonds (distance) C4'-P energy: -67.230 bonds (distance) P-C4' energy: -56.088 flat angles C4'-P-C4' energy: -52.781 flat angles P-C4'-P energy: -40.096 tors. eta vs tors. theta energy: -69.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -697.745521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.745521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.745521 (E_RNA) where: Base-Base interactions energy: -445.789 where: short stacking energy: -202.671 Base-Backbone interact. energy: -1.212 local terms energy: -250.744313 where: bonds (distance) C4'-P energy: -65.131 bonds (distance) P-C4' energy: -52.977 flat angles C4'-P-C4' energy: -55.203 flat angles P-C4'-P energy: -32.076 tors. eta vs tors. theta energy: -45.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -478.815004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.815004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.815004 (E_RNA) where: Base-Base interactions energy: -272.873 where: short stacking energy: -153.576 Base-Backbone interact. energy: -0.406 local terms energy: -205.535394 where: bonds (distance) C4'-P energy: -50.267 bonds (distance) P-C4' energy: -53.563 flat angles C4'-P-C4' energy: -53.143 flat angles P-C4'-P energy: -32.709 tors. eta vs tors. theta energy: -15.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -416.091770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.091770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.091770 (E_RNA) where: Base-Base interactions energy: -219.629 where: short stacking energy: -131.582 Base-Backbone interact. energy: -0.440 local terms energy: -196.022649 where: bonds (distance) C4'-P energy: -52.972 bonds (distance) P-C4' energy: -56.684 flat angles C4'-P-C4' energy: -51.059 flat angles P-C4'-P energy: -12.404 tors. eta vs tors. theta energy: -22.904 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: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -253.696457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.696457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.696457 (E_RNA) where: Base-Base interactions energy: -88.974 where: short stacking energy: -71.923 Base-Backbone interact. energy: 1.894 local terms energy: -166.616392 where: bonds (distance) C4'-P energy: -46.424 bonds (distance) P-C4' energy: -57.126 flat angles C4'-P-C4' energy: -39.643 flat angles P-C4'-P energy: -28.836 tors. eta vs tors. theta energy: 5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1124.195812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.195812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.195812 (E_RNA) where: Base-Base interactions energy: -774.309 where: short stacking energy: -342.112 Base-Backbone interact. energy: -0.375 local terms energy: -349.511318 where: bonds (distance) C4'-P energy: -63.970 bonds (distance) P-C4' energy: -62.609 flat angles C4'-P-C4' energy: -73.883 flat angles P-C4'-P energy: -45.742 tors. eta vs tors. theta energy: -103.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1078.999936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.999936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.999936 (E_RNA) where: Base-Base interactions energy: -734.543 where: short stacking energy: -320.618 Base-Backbone interact. energy: -0.077 local terms energy: -344.379779 where: bonds (distance) C4'-P energy: -62.624 bonds (distance) P-C4' energy: -64.345 flat angles C4'-P-C4' energy: -68.090 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -100.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1009.861887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.861887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.861887 (E_RNA) where: Base-Base interactions energy: -670.780 where: short stacking energy: -272.877 Base-Backbone interact. energy: -0.502 local terms energy: -338.579795 where: bonds (distance) C4'-P energy: -64.569 bonds (distance) P-C4' energy: -67.149 flat angles C4'-P-C4' energy: -62.794 flat angles P-C4'-P energy: -51.545 tors. eta vs tors. theta energy: -92.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -970.822182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.822182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.822182 (E_RNA) where: Base-Base interactions energy: -646.673 where: short stacking energy: -296.069 Base-Backbone interact. energy: -1.140 local terms energy: -323.009219 where: bonds (distance) C4'-P energy: -63.796 bonds (distance) P-C4' energy: -54.304 flat angles C4'-P-C4' energy: -69.058 flat angles P-C4'-P energy: -44.664 tors. eta vs tors. theta energy: -91.187 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: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -881.410577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.410577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.410577 (E_RNA) where: Base-Base interactions energy: -580.621 where: short stacking energy: -252.419 Base-Backbone interact. energy: -0.680 local terms energy: -300.109488 where: bonds (distance) C4'-P energy: -56.630 bonds (distance) P-C4' energy: -69.405 flat angles C4'-P-C4' energy: -60.329 flat angles P-C4'-P energy: -37.062 tors. eta vs tors. theta energy: -76.685 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: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -816.931974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.931974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.931974 (E_RNA) where: Base-Base interactions energy: -524.201 where: short stacking energy: -223.922 Base-Backbone interact. energy: -1.444 local terms energy: -291.286929 where: bonds (distance) C4'-P energy: -57.309 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -63.622 flat angles P-C4'-P energy: -37.487 tors. eta vs tors. theta energy: -71.697 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: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -726.626786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.626786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.626786 (E_RNA) where: Base-Base interactions energy: -455.793 where: short stacking energy: -207.621 Base-Backbone interact. energy: -0.613 local terms energy: -270.220517 where: bonds (distance) C4'-P energy: -53.289 bonds (distance) P-C4' energy: -55.558 flat angles C4'-P-C4' energy: -63.960 flat angles P-C4'-P energy: -39.855 tors. eta vs tors. theta energy: -57.558 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: 8, replica: 4 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -468.051110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.051110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.051110 (E_RNA) where: Base-Base interactions energy: -276.555 where: short stacking energy: -125.339 Base-Backbone interact. energy: -1.079 local terms energy: -190.417309 where: bonds (distance) C4'-P energy: -58.728 bonds (distance) P-C4' energy: -44.378 flat angles C4'-P-C4' energy: -44.863 flat angles P-C4'-P energy: -36.002 tors. eta vs tors. theta energy: -6.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -429.384878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.384878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.384878 (E_RNA) where: Base-Base interactions energy: -242.206 where: short stacking energy: -109.462 Base-Backbone interact. energy: -0.690 local terms energy: -186.488743 where: bonds (distance) C4'-P energy: -43.403 bonds (distance) P-C4' energy: -48.444 flat angles C4'-P-C4' energy: -49.735 flat angles P-C4'-P energy: -33.655 tors. eta vs tors. theta energy: -11.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -251.900081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.900081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.900081 (E_RNA) where: Base-Base interactions energy: -87.699 where: short stacking energy: -67.589 Base-Backbone interact. energy: 4.870 local terms energy: -169.071012 where: bonds (distance) C4'-P energy: -40.637 bonds (distance) P-C4' energy: -51.360 flat angles C4'-P-C4' energy: -45.296 flat angles P-C4'-P energy: -30.387 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1126.320570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.320570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.320570 (E_RNA) where: Base-Base interactions energy: -765.958 where: short stacking energy: -335.766 Base-Backbone interact. energy: -1.503 local terms energy: -358.858830 where: bonds (distance) C4'-P energy: -58.897 bonds (distance) P-C4' energy: -64.449 flat angles C4'-P-C4' energy: -77.142 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -111.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1059.880506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.880506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.880506 (E_RNA) where: Base-Base interactions energy: -719.598 where: short stacking energy: -309.477 Base-Backbone interact. energy: -1.838 local terms energy: -338.443514 where: bonds (distance) C4'-P energy: -59.357 bonds (distance) P-C4' energy: -62.717 flat angles C4'-P-C4' energy: -71.490 flat angles P-C4'-P energy: -48.487 tors. eta vs tors. theta energy: -96.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1000.098396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.098396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.098396 (E_RNA) where: Base-Base interactions energy: -664.457 where: short stacking energy: -290.671 Base-Backbone interact. energy: 2.670 local terms energy: -338.311571 where: bonds (distance) C4'-P energy: -65.547 bonds (distance) P-C4' energy: -61.525 flat angles C4'-P-C4' energy: -59.181 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: -99.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -969.263994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.263994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.263994 (E_RNA) where: Base-Base interactions energy: -655.638 where: short stacking energy: -297.564 Base-Backbone interact. energy: -0.055 local terms energy: -313.571467 where: bonds (distance) C4'-P energy: -58.819 bonds (distance) P-C4' energy: -65.307 flat angles C4'-P-C4' energy: -63.001 flat angles P-C4'-P energy: -35.600 tors. eta vs tors. theta energy: -90.845 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: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -893.941071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.941071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.941071 (E_RNA) where: Base-Base interactions energy: -590.886 where: short stacking energy: -261.306 Base-Backbone interact. energy: 0.967 local terms energy: -304.021495 where: bonds (distance) C4'-P energy: -58.822 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -67.319 flat angles P-C4'-P energy: -37.912 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: 6, replica: 10 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -788.553149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.553149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.553149 (E_RNA) where: Base-Base interactions energy: -494.336 where: short stacking energy: -212.844 Base-Backbone interact. energy: -1.121 local terms energy: -293.095741 where: bonds (distance) C4'-P energy: -63.144 bonds (distance) P-C4' energy: -61.572 flat angles C4'-P-C4' energy: -65.263 flat angles P-C4'-P energy: -40.945 tors. eta vs tors. theta energy: -62.172 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: 6 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -734.588832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.588832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.588832 (E_RNA) where: Base-Base interactions energy: -476.225 where: short stacking energy: -197.637 Base-Backbone interact. energy: 0.642 local terms energy: -259.005726 where: bonds (distance) C4'-P energy: -51.957 bonds (distance) P-C4' energy: -55.900 flat angles C4'-P-C4' energy: -50.015 flat angles P-C4'-P energy: -39.407 tors. eta vs tors. theta energy: -61.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -458.085589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.085589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.085589 (E_RNA) where: Base-Base interactions energy: -246.965 where: short stacking energy: -138.919 Base-Backbone interact. energy: 1.133 local terms energy: -212.253887 where: bonds (distance) C4'-P energy: -54.985 bonds (distance) P-C4' energy: -49.986 flat angles C4'-P-C4' energy: -53.832 flat angles P-C4'-P energy: -23.330 tors. eta vs tors. theta energy: -30.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -434.048114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.048114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.048114 (E_RNA) where: Base-Base interactions energy: -249.273 where: short stacking energy: -113.310 Base-Backbone interact. energy: -2.662 local terms energy: -182.113457 where: bonds (distance) C4'-P energy: -55.761 bonds (distance) P-C4' energy: -42.053 flat angles C4'-P-C4' energy: -55.357 flat angles P-C4'-P energy: -25.851 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -258.584977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.584977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.584977 (E_RNA) where: Base-Base interactions energy: -91.169 where: short stacking energy: -68.338 Base-Backbone interact. energy: 0.221 local terms energy: -167.636755 where: bonds (distance) C4'-P energy: -46.021 bonds (distance) P-C4' energy: -62.055 flat angles C4'-P-C4' energy: -52.789 flat angles P-C4'-P energy: -28.510 tors. eta vs tors. theta energy: 21.738 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: 7 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1119.395133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.395133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.395133 (E_RNA) where: Base-Base interactions energy: -761.154 where: short stacking energy: -336.383 Base-Backbone interact. energy: -1.217 local terms energy: -357.024309 where: bonds (distance) C4'-P energy: -65.377 bonds (distance) P-C4' energy: -66.997 flat angles C4'-P-C4' energy: -73.197 flat angles P-C4'-P energy: -46.927 tors. eta vs tors. theta energy: -104.526 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: 2 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1045.168207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.168207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.168207 (E_RNA) where: Base-Base interactions energy: -702.557 where: short stacking energy: -301.657 Base-Backbone interact. energy: -0.575 local terms energy: -342.036295 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -61.645 flat angles C4'-P-C4' energy: -74.297 flat angles P-C4'-P energy: -50.153 tors. eta vs tors. theta energy: -96.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -964.527906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.527906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.527906 (E_RNA) where: Base-Base interactions energy: -650.964 where: short stacking energy: -287.249 Base-Backbone interact. energy: -0.192 local terms energy: -313.371524 where: bonds (distance) C4'-P energy: -62.726 bonds (distance) P-C4' energy: -60.000 flat angles C4'-P-C4' energy: -63.237 flat angles P-C4'-P energy: -37.019 tors. eta vs tors. theta energy: -90.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -960.315070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.315070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.315070 (E_RNA) where: Base-Base interactions energy: -646.339 where: short stacking energy: -273.462 Base-Backbone interact. energy: -1.253 local terms energy: -312.722348 where: bonds (distance) C4'-P energy: -58.627 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -64.859 flat angles P-C4'-P energy: -42.922 tors. eta vs tors. theta energy: -87.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -889.809952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.809952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.809952 (E_RNA) where: Base-Base interactions energy: -581.142 where: short stacking energy: -273.512 Base-Backbone interact. energy: 1.066 local terms energy: -309.733733 where: bonds (distance) C4'-P energy: -49.512 bonds (distance) P-C4' energy: -59.665 flat angles C4'-P-C4' energy: -69.785 flat angles P-C4'-P energy: -49.025 tors. eta vs tors. theta energy: -81.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -780.596411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.596411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.596411 (E_RNA) where: Base-Base interactions energy: -501.908 where: short stacking energy: -210.204 Base-Backbone interact. energy: -0.287 local terms energy: -278.401321 where: bonds (distance) C4'-P energy: -50.850 bonds (distance) P-C4' energy: -66.141 flat angles C4'-P-C4' energy: -51.207 flat angles P-C4'-P energy: -46.686 tors. eta vs tors. theta energy: -63.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -746.199439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.199439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.199439 (E_RNA) where: Base-Base interactions energy: -491.834 where: short stacking energy: -200.542 Base-Backbone interact. energy: -0.011 local terms energy: -254.354436 where: bonds (distance) C4'-P energy: -54.313 bonds (distance) P-C4' energy: -65.188 flat angles C4'-P-C4' energy: -53.457 flat angles P-C4'-P energy: -25.161 tors. eta vs tors. theta energy: -56.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -510.859182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.859182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.859182 (E_RNA) where: Base-Base interactions energy: -288.860 where: short stacking energy: -133.055 Base-Backbone interact. energy: 2.054 local terms energy: -224.053402 where: bonds (distance) C4'-P energy: -57.818 bonds (distance) P-C4' energy: -55.016 flat angles C4'-P-C4' energy: -59.291 flat angles P-C4'-P energy: -35.330 tors. eta vs tors. theta energy: -16.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -444.673228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.673228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.673228 (E_RNA) where: Base-Base interactions energy: -223.012 where: short stacking energy: -123.941 Base-Backbone interact. energy: -0.563 local terms energy: -221.098270 where: bonds (distance) C4'-P energy: -58.944 bonds (distance) P-C4' energy: -57.717 flat angles C4'-P-C4' energy: -52.535 flat angles P-C4'-P energy: -34.649 tors. eta vs tors. theta energy: -17.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -257.209734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.209734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.209734 (E_RNA) where: Base-Base interactions energy: -75.208 where: short stacking energy: -65.263 Base-Backbone interact. energy: 0.159 local terms energy: -182.161288 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -55.726 flat angles C4'-P-C4' energy: -49.760 flat angles P-C4'-P energy: -30.704 tors. eta vs tors. theta energy: 4.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1098.857068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.857068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.857068 (E_RNA) where: Base-Base interactions energy: -733.510 where: short stacking energy: -329.465 Base-Backbone interact. energy: -1.574 local terms energy: -363.773140 where: bonds (distance) C4'-P energy: -64.703 bonds (distance) P-C4' energy: -59.584 flat angles C4'-P-C4' energy: -80.198 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -106.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1062.159607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.159607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.159607 (E_RNA) where: Base-Base interactions energy: -719.218 where: short stacking energy: -310.914 Base-Backbone interact. energy: -0.066 local terms energy: -342.875617 where: bonds (distance) C4'-P energy: -61.757 bonds (distance) P-C4' energy: -59.952 flat angles C4'-P-C4' energy: -70.975 flat angles P-C4'-P energy: -51.047 tors. eta vs tors. theta energy: -99.144 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: 3, replica: 5 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -975.827602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.827602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.827602 (E_RNA) where: Base-Base interactions energy: -660.480 where: short stacking energy: -283.491 Base-Backbone interact. energy: -0.576 local terms energy: -314.771758 where: bonds (distance) C4'-P energy: -65.152 bonds (distance) P-C4' energy: -51.241 flat angles C4'-P-C4' energy: -76.228 flat angles P-C4'-P energy: -31.748 tors. eta vs tors. theta energy: -90.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -978.476099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.476099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.476099 (E_RNA) where: Base-Base interactions energy: -667.403 where: short stacking energy: -293.024 Base-Backbone interact. energy: 0.946 local terms energy: -312.018356 where: bonds (distance) C4'-P energy: -56.391 bonds (distance) P-C4' energy: -51.089 flat angles C4'-P-C4' energy: -61.389 flat angles P-C4'-P energy: -49.770 tors. eta vs tors. theta energy: -93.379 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: 5, replica: 1 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -851.180666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.180666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.180666 (E_RNA) where: Base-Base interactions energy: -545.546 where: short stacking energy: -230.427 Base-Backbone interact. energy: -0.668 local terms energy: -304.966736 where: bonds (distance) C4'-P energy: -56.477 bonds (distance) P-C4' energy: -62.883 flat angles C4'-P-C4' energy: -63.988 flat angles P-C4'-P energy: -47.207 tors. eta vs tors. theta energy: -74.412 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: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -780.036672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.036672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.036672 (E_RNA) where: Base-Base interactions energy: -515.710 where: short stacking energy: -231.907 Base-Backbone interact. energy: -1.357 local terms energy: -262.969180 where: bonds (distance) C4'-P energy: -56.758 bonds (distance) P-C4' energy: -53.101 flat angles C4'-P-C4' energy: -60.988 flat angles P-C4'-P energy: -30.929 tors. eta vs tors. theta energy: -61.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -848.236031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.236031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.236031 (E_RNA) where: Base-Base interactions energy: -559.976 where: short stacking energy: -251.791 Base-Backbone interact. energy: 0.578 local terms energy: -288.837780 where: bonds (distance) C4'-P energy: -50.884 bonds (distance) P-C4' energy: -49.066 flat angles C4'-P-C4' energy: -61.485 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: -80.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -473.739522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.739522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.739522 (E_RNA) where: Base-Base interactions energy: -267.944 where: short stacking energy: -153.111 Base-Backbone interact. energy: -0.392 local terms energy: -205.403372 where: bonds (distance) C4'-P energy: -46.473 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -53.223 flat angles P-C4'-P energy: -26.353 tors. eta vs tors. theta energy: -16.735 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: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -477.369055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.369055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.369055 (E_RNA) where: Base-Base interactions energy: -276.639 where: short stacking energy: -135.508 Base-Backbone interact. energy: 0.198 local terms energy: -200.928152 where: bonds (distance) C4'-P energy: -59.166 bonds (distance) P-C4' energy: -54.591 flat angles C4'-P-C4' energy: -47.201 flat angles P-C4'-P energy: -25.928 tors. eta vs tors. theta energy: -14.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -237.629323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.629323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.629323 (E_RNA) where: Base-Base interactions energy: -59.917 where: short stacking energy: -53.631 Base-Backbone interact. energy: -1.252 local terms energy: -176.459543 where: bonds (distance) C4'-P energy: -55.913 bonds (distance) P-C4' energy: -56.214 flat angles C4'-P-C4' energy: -49.014 flat angles P-C4'-P energy: -24.612 tors. eta vs tors. theta energy: 9.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1103.590374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.590374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.590374 (E_RNA) where: Base-Base interactions energy: -754.112 where: short stacking energy: -325.052 Base-Backbone interact. energy: -0.797 local terms energy: -348.680903 where: bonds (distance) C4'-P energy: -64.292 bonds (distance) P-C4' energy: -65.057 flat angles C4'-P-C4' energy: -66.192 flat angles P-C4'-P energy: -49.996 tors. eta vs tors. theta energy: -103.143 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: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1080.838722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.838722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.838722 (E_RNA) where: Base-Base interactions energy: -747.052 where: short stacking energy: -314.214 Base-Backbone interact. energy: -0.916 local terms energy: -332.870998 where: bonds (distance) C4'-P energy: -54.847 bonds (distance) P-C4' energy: -55.229 flat angles C4'-P-C4' energy: -72.643 flat angles P-C4'-P energy: -48.707 tors. eta vs tors. theta energy: -101.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -998.518946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.518946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.518946 (E_RNA) where: Base-Base interactions energy: -683.108 where: short stacking energy: -303.667 Base-Backbone interact. energy: 1.079 local terms energy: -316.490234 where: bonds (distance) C4'-P energy: -51.200 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -67.753 flat angles P-C4'-P energy: -49.099 tors. eta vs tors. theta energy: -91.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -988.287845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.287845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.287845 (E_RNA) where: Base-Base interactions energy: -672.711 where: short stacking energy: -290.490 Base-Backbone interact. energy: -0.785 local terms energy: -314.791825 where: bonds (distance) C4'-P energy: -59.280 bonds (distance) P-C4' energy: -59.413 flat angles C4'-P-C4' energy: -69.770 flat angles P-C4'-P energy: -42.139 tors. eta vs tors. theta energy: -84.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -869.513008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.513008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.513008 (E_RNA) where: Base-Base interactions energy: -563.808 where: short stacking energy: -261.508 Base-Backbone interact. energy: -0.747 local terms energy: -304.957417 where: bonds (distance) C4'-P energy: -63.194 bonds (distance) P-C4' energy: -58.013 flat angles C4'-P-C4' energy: -59.310 flat angles P-C4'-P energy: -44.757 tors. eta vs tors. theta energy: -79.683 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: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -809.852341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.852341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.852341 (E_RNA) where: Base-Base interactions energy: -541.036 where: short stacking energy: -237.394 Base-Backbone interact. energy: -1.614 local terms energy: -267.202125 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -53.337 flat angles C4'-P-C4' energy: -58.896 flat angles P-C4'-P energy: -32.949 tors. eta vs tors. theta energy: -66.284 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: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -829.955272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.955272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.955272 (E_RNA) where: Base-Base interactions energy: -547.079 where: short stacking energy: -244.172 Base-Backbone interact. energy: 3.036 local terms energy: -285.911713 where: bonds (distance) C4'-P energy: -46.603 bonds (distance) P-C4' energy: -52.650 flat angles C4'-P-C4' energy: -70.858 flat angles P-C4'-P energy: -46.506 tors. eta vs tors. theta energy: -69.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -503.804385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.804385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.804385 (E_RNA) where: Base-Base interactions energy: -291.926 where: short stacking energy: -123.087 Base-Backbone interact. energy: -0.041 local terms energy: -211.836947 where: bonds (distance) C4'-P energy: -60.823 bonds (distance) P-C4' energy: -64.557 flat angles C4'-P-C4' energy: -49.809 flat angles P-C4'-P energy: -21.215 tors. eta vs tors. theta energy: -15.433 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: 3 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -491.349151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.349151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.349151 (E_RNA) where: Base-Base interactions energy: -271.773 where: short stacking energy: -130.018 Base-Backbone interact. energy: 0.319 local terms energy: -219.894760 where: bonds (distance) C4'-P energy: -60.248 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -53.221 flat angles P-C4'-P energy: -35.064 tors. eta vs tors. theta energy: -12.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -257.085187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.085187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.085187 (E_RNA) where: Base-Base interactions energy: -112.123 where: short stacking energy: -84.382 Base-Backbone interact. energy: -0.744 local terms energy: -144.217729 where: bonds (distance) C4'-P energy: -56.641 bonds (distance) P-C4' energy: -47.706 flat angles C4'-P-C4' energy: -39.063 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: 4.628 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: 1, replica: 7 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1106.103417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.103417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.103417 (E_RNA) where: Base-Base interactions energy: -754.774 where: short stacking energy: -325.717 Base-Backbone interact. energy: -1.814 local terms energy: -349.515441 where: bonds (distance) C4'-P energy: -64.668 bonds (distance) P-C4' energy: -55.975 flat angles C4'-P-C4' energy: -78.785 flat angles P-C4'-P energy: -45.372 tors. eta vs tors. theta energy: -104.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1078.852699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.852699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.852699 (E_RNA) where: Base-Base interactions energy: -738.987 where: short stacking energy: -317.494 Base-Backbone interact. energy: -0.486 local terms energy: -339.379606 where: bonds (distance) C4'-P energy: -58.963 bonds (distance) P-C4' energy: -68.498 flat angles C4'-P-C4' energy: -69.223 flat angles P-C4'-P energy: -45.326 tors. eta vs tors. theta energy: -97.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -984.470669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.470669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.470669 (E_RNA) where: Base-Base interactions energy: -659.868 where: short stacking energy: -286.296 Base-Backbone interact. energy: -1.732 local terms energy: -322.870583 where: bonds (distance) C4'-P energy: -60.807 bonds (distance) P-C4' energy: -49.286 flat angles C4'-P-C4' energy: -69.793 flat angles P-C4'-P energy: -48.246 tors. eta vs tors. theta energy: -94.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -974.648116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.648116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.648116 (E_RNA) where: Base-Base interactions energy: -662.107 where: short stacking energy: -286.506 Base-Backbone interact. energy: -0.679 local terms energy: -311.862568 where: bonds (distance) C4'-P energy: -53.184 bonds (distance) P-C4' energy: -59.742 flat angles C4'-P-C4' energy: -60.604 flat angles P-C4'-P energy: -45.283 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: 5, replica: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -912.347313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.347313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.347313 (E_RNA) where: Base-Base interactions energy: -592.202 where: short stacking energy: -263.779 Base-Backbone interact. energy: -0.354 local terms energy: -319.790778 where: bonds (distance) C4'-P energy: -57.879 bonds (distance) P-C4' energy: -59.128 flat angles C4'-P-C4' energy: -69.218 flat angles P-C4'-P energy: -46.505 tors. eta vs tors. theta energy: -87.061 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: 6 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -845.022145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.022145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.022145 (E_RNA) where: Base-Base interactions energy: -548.767 where: short stacking energy: -256.641 Base-Backbone interact. energy: 0.106 local terms energy: -296.361420 where: bonds (distance) C4'-P energy: -61.476 bonds (distance) P-C4' energy: -57.331 flat angles C4'-P-C4' energy: -57.541 flat angles P-C4'-P energy: -42.708 tors. eta vs tors. theta energy: -77.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -703.081744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.081744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.081744 (E_RNA) where: Base-Base interactions energy: -447.887 where: short stacking energy: -202.199 Base-Backbone interact. energy: 2.650 local terms energy: -257.845381 where: bonds (distance) C4'-P energy: -57.132 bonds (distance) P-C4' energy: -62.574 flat angles C4'-P-C4' energy: -51.583 flat angles P-C4'-P energy: -33.405 tors. eta vs tors. theta energy: -53.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -500.040084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.040084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.040084 (E_RNA) where: Base-Base interactions energy: -279.937 where: short stacking energy: -151.396 Base-Backbone interact. energy: -1.034 local terms energy: -219.068990 where: bonds (distance) C4'-P energy: -55.886 bonds (distance) P-C4' energy: -52.760 flat angles C4'-P-C4' energy: -61.236 flat angles P-C4'-P energy: -18.701 tors. eta vs tors. theta energy: -30.486 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: 9, replica: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -444.219348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.219348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.219348 (E_RNA) where: Base-Base interactions energy: -242.970 where: short stacking energy: -118.566 Base-Backbone interact. energy: -1.109 local terms energy: -200.140379 where: bonds (distance) C4'-P energy: -55.139 bonds (distance) P-C4' energy: -63.045 flat angles C4'-P-C4' energy: -56.338 flat angles P-C4'-P energy: -17.505 tors. eta vs tors. theta energy: -8.113 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: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -262.430680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.430680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.430680 (E_RNA) where: Base-Base interactions energy: -89.293 where: short stacking energy: -78.333 Base-Backbone interact. energy: -0.132 local terms energy: -173.006133 where: bonds (distance) C4'-P energy: -55.393 bonds (distance) P-C4' energy: -47.159 flat angles C4'-P-C4' energy: -41.713 flat angles P-C4'-P energy: -27.961 tors. eta vs tors. theta energy: -0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1100.927554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.927554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.927554 (E_RNA) where: Base-Base interactions energy: -742.414 where: short stacking energy: -318.523 Base-Backbone interact. energy: -0.168 local terms energy: -358.345232 where: bonds (distance) C4'-P energy: -63.357 bonds (distance) P-C4' energy: -68.154 flat angles C4'-P-C4' energy: -77.421 flat angles P-C4'-P energy: -49.050 tors. eta vs tors. theta energy: -100.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1099.625027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.625027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.625027 (E_RNA) where: Base-Base interactions energy: -745.702 where: short stacking energy: -331.967 Base-Backbone interact. energy: 0.593 local terms energy: -354.515090 where: bonds (distance) C4'-P energy: -55.773 bonds (distance) P-C4' energy: -68.277 flat angles C4'-P-C4' energy: -71.865 flat angles P-C4'-P energy: -55.666 tors. eta vs tors. theta energy: -102.933 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: 5 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -986.418645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.418645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.418645 (E_RNA) where: Base-Base interactions energy: -675.401 where: short stacking energy: -282.451 Base-Backbone interact. energy: -1.234 local terms energy: -309.784135 where: bonds (distance) C4'-P energy: -50.680 bonds (distance) P-C4' energy: -62.744 flat angles C4'-P-C4' energy: -70.907 flat angles P-C4'-P energy: -41.564 tors. eta vs tors. theta energy: -83.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -990.338363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.338363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.338363 (E_RNA) where: Base-Base interactions energy: -684.255 where: short stacking energy: -290.830 Base-Backbone interact. energy: -0.645 local terms energy: -305.437877 where: bonds (distance) C4'-P energy: -52.772 bonds (distance) P-C4' energy: -51.375 flat angles C4'-P-C4' energy: -67.448 flat angles P-C4'-P energy: -45.244 tors. eta vs tors. theta energy: -88.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -954.244753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.244753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.244753 (E_RNA) where: Base-Base interactions energy: -658.050 where: short stacking energy: -285.736 Base-Backbone interact. energy: -0.882 local terms energy: -295.312502 where: bonds (distance) C4'-P energy: -53.372 bonds (distance) P-C4' energy: -50.271 flat angles C4'-P-C4' energy: -60.305 flat angles P-C4'-P energy: -42.401 tors. eta vs tors. theta energy: -88.964 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: 6, replica: 6 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -856.610661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.610661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.610661 (E_RNA) where: Base-Base interactions energy: -578.706 where: short stacking energy: -243.266 Base-Backbone interact. energy: -0.915 local terms energy: -276.989810 where: bonds (distance) C4'-P energy: -43.407 bonds (distance) P-C4' energy: -53.502 flat angles C4'-P-C4' energy: -66.521 flat angles P-C4'-P energy: -45.976 tors. eta vs tors. theta energy: -67.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -713.359188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.359188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.359188 (E_RNA) where: Base-Base interactions energy: -446.804 where: short stacking energy: -202.432 Base-Backbone interact. energy: 4.319 local terms energy: -270.873841 where: bonds (distance) C4'-P energy: -60.379 bonds (distance) P-C4' energy: -55.569 flat angles C4'-P-C4' energy: -66.206 flat angles P-C4'-P energy: -39.302 tors. eta vs tors. theta energy: -49.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -464.825631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.825631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.825631 (E_RNA) where: Base-Base interactions energy: -269.951 where: short stacking energy: -154.616 Base-Backbone interact. energy: 1.187 local terms energy: -196.061299 where: bonds (distance) C4'-P energy: -48.610 bonds (distance) P-C4' energy: -52.937 flat angles C4'-P-C4' energy: -37.585 flat angles P-C4'-P energy: -26.658 tors. eta vs tors. theta energy: -30.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -449.577030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.577030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.577030 (E_RNA) where: Base-Base interactions energy: -247.991 where: short stacking energy: -127.549 Base-Backbone interact. energy: 0.512 local terms energy: -202.098502 where: bonds (distance) C4'-P energy: -46.997 bonds (distance) P-C4' energy: -39.652 flat angles C4'-P-C4' energy: -56.483 flat angles P-C4'-P energy: -40.744 tors. eta vs tors. theta energy: -18.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -251.142320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.142320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.142320 (E_RNA) where: Base-Base interactions energy: -85.433 where: short stacking energy: -77.979 Base-Backbone interact. energy: 0.257 local terms energy: -165.966131 where: bonds (distance) C4'-P energy: -46.845 bonds (distance) P-C4' energy: -55.181 flat angles C4'-P-C4' energy: -40.030 flat angles P-C4'-P energy: -26.303 tors. eta vs tors. theta energy: 2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1092.161305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.161305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.161305 (E_RNA) where: Base-Base interactions energy: -738.372 where: short stacking energy: -316.191 Base-Backbone interact. energy: -0.626 local terms energy: -353.163296 where: bonds (distance) C4'-P energy: -67.451 bonds (distance) P-C4' energy: -60.669 flat angles C4'-P-C4' energy: -72.018 flat angles P-C4'-P energy: -49.258 tors. eta vs tors. theta energy: -103.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1086.057442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.057442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.057442 (E_RNA) where: Base-Base interactions energy: -759.643 where: short stacking energy: -345.062 Base-Backbone interact. energy: -0.547 local terms energy: -325.867909 where: bonds (distance) C4'-P energy: -58.417 bonds (distance) P-C4' energy: -55.961 flat angles C4'-P-C4' energy: -74.529 flat angles P-C4'-P energy: -40.685 tors. eta vs tors. theta energy: -96.276 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: 5 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -998.381898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.381898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.381898 (E_RNA) where: Base-Base interactions energy: -664.602 where: short stacking energy: -295.768 Base-Backbone interact. energy: -2.379 local terms energy: -331.400626 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -64.458 flat angles C4'-P-C4' energy: -75.067 flat angles P-C4'-P energy: -42.138 tors. eta vs tors. theta energy: -91.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -977.857510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.857510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.857510 (E_RNA) where: Base-Base interactions energy: -656.286 where: short stacking energy: -280.005 Base-Backbone interact. energy: -0.757 local terms energy: -320.815405 where: bonds (distance) C4'-P energy: -54.283 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -65.754 flat angles P-C4'-P energy: -44.053 tors. eta vs tors. theta energy: -90.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -958.961666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.961666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.961666 (E_RNA) where: Base-Base interactions energy: -644.946 where: short stacking energy: -278.547 Base-Backbone interact. energy: -0.475 local terms energy: -313.540141 where: bonds (distance) C4'-P energy: -63.139 bonds (distance) P-C4' energy: -55.494 flat angles C4'-P-C4' energy: -52.503 flat angles P-C4'-P energy: -48.808 tors. eta vs tors. theta energy: -93.596 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: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -835.416665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.416665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.416665 (E_RNA) where: Base-Base interactions energy: -549.608 where: short stacking energy: -247.648 Base-Backbone interact. energy: -0.050 local terms energy: -285.758830 where: bonds (distance) C4'-P energy: -49.508 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -60.429 flat angles P-C4'-P energy: -38.530 tors. eta vs tors. theta energy: -74.673 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: 10 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -693.799969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.799969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.799969 (E_RNA) where: Base-Base interactions energy: -432.265 where: short stacking energy: -214.276 Base-Backbone interact. energy: -2.544 local terms energy: -258.990777 where: bonds (distance) C4'-P energy: -64.607 bonds (distance) P-C4' energy: -48.585 flat angles C4'-P-C4' energy: -58.361 flat angles P-C4'-P energy: -37.601 tors. eta vs tors. theta energy: -49.837 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: 4 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -497.270824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.270824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.270824 (E_RNA) where: Base-Base interactions energy: -264.799 where: short stacking energy: -132.504 Base-Backbone interact. energy: -0.234 local terms energy: -232.238130 where: bonds (distance) C4'-P energy: -54.590 bonds (distance) P-C4' energy: -53.723 flat angles C4'-P-C4' energy: -57.321 flat angles P-C4'-P energy: -40.283 tors. eta vs tors. theta energy: -26.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -436.049218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.049218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.049218 (E_RNA) where: Base-Base interactions energy: -240.859 where: short stacking energy: -123.777 Base-Backbone interact. energy: -1.458 local terms energy: -193.732396 where: bonds (distance) C4'-P energy: -55.846 bonds (distance) P-C4' energy: -55.981 flat angles C4'-P-C4' energy: -45.135 flat angles P-C4'-P energy: -30.008 tors. eta vs tors. theta energy: -6.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -253.257534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.257534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.257534 (E_RNA) where: Base-Base interactions energy: -75.766 where: short stacking energy: -56.123 Base-Backbone interact. energy: 3.250 local terms energy: -180.741367 where: bonds (distance) C4'-P energy: -57.287 bonds (distance) P-C4' energy: -66.062 flat angles C4'-P-C4' energy: -49.497 flat angles P-C4'-P energy: -24.360 tors. eta vs tors. theta energy: 16.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1084.639211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.639211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.639211 (E_RNA) where: Base-Base interactions energy: -750.361 where: short stacking energy: -331.237 Base-Backbone interact. energy: -0.417 local terms energy: -333.861071 where: bonds (distance) C4'-P energy: -55.922 bonds (distance) P-C4' energy: -60.960 flat angles C4'-P-C4' energy: -70.767 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -102.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1077.201201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.201201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.201201 (E_RNA) where: Base-Base interactions energy: -737.186 where: short stacking energy: -320.973 Base-Backbone interact. energy: -0.534 local terms energy: -339.481353 where: bonds (distance) C4'-P energy: -64.196 bonds (distance) P-C4' energy: -63.491 flat angles C4'-P-C4' energy: -74.587 flat angles P-C4'-P energy: -35.595 tors. eta vs tors. theta energy: -101.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1002.298420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.298420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.298420 (E_RNA) where: Base-Base interactions energy: -669.117 where: short stacking energy: -278.614 Base-Backbone interact. energy: -2.582 local terms energy: -330.599849 where: bonds (distance) C4'-P energy: -62.576 bonds (distance) P-C4' energy: -65.473 flat angles C4'-P-C4' energy: -70.345 flat angles P-C4'-P energy: -45.168 tors. eta vs tors. theta energy: -87.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -994.215363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.215363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.215363 (E_RNA) where: Base-Base interactions energy: -679.511 where: short stacking energy: -312.153 Base-Backbone interact. energy: -0.969 local terms energy: -313.735357 where: bonds (distance) C4'-P energy: -56.530 bonds (distance) P-C4' energy: -55.716 flat angles C4'-P-C4' energy: -66.793 flat angles P-C4'-P energy: -37.821 tors. eta vs tors. theta energy: -96.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -940.229026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.229026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.229026 (E_RNA) where: Base-Base interactions energy: -638.427 where: short stacking energy: -269.039 Base-Backbone interact. energy: -0.729 local terms energy: -301.073059 where: bonds (distance) C4'-P energy: -43.896 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -68.527 flat angles P-C4'-P energy: -46.202 tors. eta vs tors. theta energy: -83.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -791.821105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.821105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.821105 (E_RNA) where: Base-Base interactions energy: -522.900 where: short stacking energy: -227.442 Base-Backbone interact. energy: -1.368 local terms energy: -267.552884 where: bonds (distance) C4'-P energy: -60.150 bonds (distance) P-C4' energy: -52.441 flat angles C4'-P-C4' energy: -60.884 flat angles P-C4'-P energy: -32.008 tors. eta vs tors. theta energy: -62.069 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: 7, replica: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -675.923970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.923970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.923970 (E_RNA) where: Base-Base interactions energy: -421.846 where: short stacking energy: -191.975 Base-Backbone interact. energy: -0.315 local terms energy: -253.763187 where: bonds (distance) C4'-P energy: -59.618 bonds (distance) P-C4' energy: -55.506 flat angles C4'-P-C4' energy: -51.847 flat angles P-C4'-P energy: -28.664 tors. eta vs tors. theta energy: -58.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -524.862846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.862846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.862846 (E_RNA) where: Base-Base interactions energy: -282.628 where: short stacking energy: -151.800 Base-Backbone interact. energy: -3.117 local terms energy: -239.117296 where: bonds (distance) C4'-P energy: -53.125 bonds (distance) P-C4' energy: -62.602 flat angles C4'-P-C4' energy: -56.262 flat angles P-C4'-P energy: -34.550 tors. eta vs tors. theta energy: -32.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -449.667637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.667637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.667637 (E_RNA) where: Base-Base interactions energy: -263.735 where: short stacking energy: -137.770 Base-Backbone interact. energy: -0.036 local terms energy: -185.896880 where: bonds (distance) C4'-P energy: -48.571 bonds (distance) P-C4' energy: -53.183 flat angles C4'-P-C4' energy: -45.083 flat angles P-C4'-P energy: -29.462 tors. eta vs tors. theta energy: -9.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -264.009300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.009300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.009300 (E_RNA) where: Base-Base interactions energy: -87.139 where: short stacking energy: -53.093 Base-Backbone interact. energy: 3.468 local terms energy: -180.337617 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -53.758 flat angles C4'-P-C4' energy: -50.698 flat angles P-C4'-P energy: -39.540 tors. eta vs tors. theta energy: 20.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1106.068619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.068619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.068619 (E_RNA) where: Base-Base interactions energy: -758.651 where: short stacking energy: -317.534 Base-Backbone interact. energy: -0.458 local terms energy: -346.958882 where: bonds (distance) C4'-P energy: -67.649 bonds (distance) P-C4' energy: -61.891 flat angles C4'-P-C4' energy: -71.090 flat angles P-C4'-P energy: -48.373 tors. eta vs tors. theta energy: -97.956 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: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1095.355069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.355069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.355069 (E_RNA) where: Base-Base interactions energy: -734.373 where: short stacking energy: -317.340 Base-Backbone interact. energy: 0.505 local terms energy: -361.487519 where: bonds (distance) C4'-P energy: -70.139 bonds (distance) P-C4' energy: -57.794 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: -105.639 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: 3, replica: 5 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1007.007347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.007347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.007347 (E_RNA) where: Base-Base interactions energy: -701.806 where: short stacking energy: -281.980 Base-Backbone interact. energy: -1.614 local terms energy: -303.586595 where: bonds (distance) C4'-P energy: -46.451 bonds (distance) P-C4' energy: -61.098 flat angles C4'-P-C4' energy: -64.813 flat angles P-C4'-P energy: -46.803 tors. eta vs tors. theta energy: -84.421 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: 1 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -975.959844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.959844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.959844 (E_RNA) where: Base-Base interactions energy: -659.938 where: short stacking energy: -287.762 Base-Backbone interact. energy: -0.143 local terms energy: -315.878972 where: bonds (distance) C4'-P energy: -53.562 bonds (distance) P-C4' energy: -66.746 flat angles C4'-P-C4' energy: -66.296 flat angles P-C4'-P energy: -42.133 tors. eta vs tors. theta energy: -87.142 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: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -948.455660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.455660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.455660 (E_RNA) where: Base-Base interactions energy: -639.260 where: short stacking energy: -266.768 Base-Backbone interact. energy: -0.626 local terms energy: -308.569982 where: bonds (distance) C4'-P energy: -58.607 bonds (distance) P-C4' energy: -53.314 flat angles C4'-P-C4' energy: -63.020 flat angles P-C4'-P energy: -42.095 tors. eta vs tors. theta energy: -91.534 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: 10 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -716.955464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.955464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.955464 (E_RNA) where: Base-Base interactions energy: -442.531 where: short stacking energy: -194.713 Base-Backbone interact. energy: -1.254 local terms energy: -273.170706 where: bonds (distance) C4'-P energy: -63.843 bonds (distance) P-C4' energy: -63.440 flat angles C4'-P-C4' energy: -52.879 flat angles P-C4'-P energy: -36.757 tors. eta vs tors. theta energy: -56.253 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: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -773.455343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.455343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.455343 (E_RNA) where: Base-Base interactions energy: -522.807 where: short stacking energy: -231.533 Base-Backbone interact. energy: -0.187 local terms energy: -250.460821 where: bonds (distance) C4'-P energy: -33.830 bonds (distance) P-C4' energy: -58.641 flat angles C4'-P-C4' energy: -47.358 flat angles P-C4'-P energy: -35.133 tors. eta vs tors. theta energy: -75.498 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: 3 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -455.629477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.629477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.629477 (E_RNA) where: Base-Base interactions energy: -256.121 where: short stacking energy: -129.169 Base-Backbone interact. energy: -1.087 local terms energy: -198.421684 where: bonds (distance) C4'-P energy: -54.742 bonds (distance) P-C4' energy: -59.231 flat angles C4'-P-C4' energy: -54.048 flat angles P-C4'-P energy: -20.972 tors. eta vs tors. theta energy: -9.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -456.141547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.141547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.141547 (E_RNA) where: Base-Base interactions energy: -237.166 where: short stacking energy: -125.696 Base-Backbone interact. energy: -0.191 local terms energy: -218.784558 where: bonds (distance) C4'-P energy: -60.942 bonds (distance) P-C4' energy: -53.328 flat angles C4'-P-C4' energy: -56.416 flat angles P-C4'-P energy: -30.580 tors. eta vs tors. theta energy: -17.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -256.396201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.396201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.396201 (E_RNA) where: Base-Base interactions energy: -79.006 where: short stacking energy: -62.991 Base-Backbone interact. energy: -1.822 local terms energy: -175.568850 where: bonds (distance) C4'-P energy: -45.955 bonds (distance) P-C4' energy: -52.741 flat angles C4'-P-C4' energy: -55.011 flat angles P-C4'-P energy: -26.501 tors. eta vs tors. theta energy: 4.639 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: 2 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1115.114114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.114114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.114114 (E_RNA) where: Base-Base interactions energy: -769.213 where: short stacking energy: -330.519 Base-Backbone interact. energy: -1.140 local terms energy: -344.761206 where: bonds (distance) C4'-P energy: -66.286 bonds (distance) P-C4' energy: -59.437 flat angles C4'-P-C4' energy: -71.197 flat angles P-C4'-P energy: -47.738 tors. eta vs tors. theta energy: -100.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1074.416931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.416931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.416931 (E_RNA) where: Base-Base interactions energy: -736.965 where: short stacking energy: -326.949 Base-Backbone interact. energy: -1.213 local terms energy: -336.239082 where: bonds (distance) C4'-P energy: -55.036 bonds (distance) P-C4' energy: -58.988 flat angles C4'-P-C4' energy: -70.410 flat angles P-C4'-P energy: -50.540 tors. eta vs tors. theta energy: -101.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1029.690407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.690407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.690407 (E_RNA) where: Base-Base interactions energy: -712.781 where: short stacking energy: -321.356 Base-Backbone interact. energy: -2.489 local terms energy: -314.420580 where: bonds (distance) C4'-P energy: -50.679 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -69.340 flat angles P-C4'-P energy: -45.805 tors. eta vs tors. theta energy: -93.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -969.286755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.286755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.286755 (E_RNA) where: Base-Base interactions energy: -667.453 where: short stacking energy: -276.815 Base-Backbone interact. energy: -1.151 local terms energy: -300.682616 where: bonds (distance) C4'-P energy: -54.418 bonds (distance) P-C4' energy: -54.441 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -80.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -912.705061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.705061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.705061 (E_RNA) where: Base-Base interactions energy: -611.051 where: short stacking energy: -246.862 Base-Backbone interact. energy: -1.203 local terms energy: -300.451282 where: bonds (distance) C4'-P energy: -54.178 bonds (distance) P-C4' energy: -65.368 flat angles C4'-P-C4' energy: -60.138 flat angles P-C4'-P energy: -47.430 tors. eta vs tors. theta energy: -73.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -757.323515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.323515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.323515 (E_RNA) where: Base-Base interactions energy: -482.680 where: short stacking energy: -216.908 Base-Backbone interact. energy: -1.724 local terms energy: -272.919690 where: bonds (distance) C4'-P energy: -59.946 bonds (distance) P-C4' energy: -63.946 flat angles C4'-P-C4' energy: -55.550 flat angles P-C4'-P energy: -35.183 tors. eta vs tors. theta energy: -58.295 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: 7, replica: 6 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -733.199722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.199722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.199722 (E_RNA) where: Base-Base interactions energy: -469.184 where: short stacking energy: -192.113 Base-Backbone interact. energy: -1.493 local terms energy: -262.522673 where: bonds (distance) C4'-P energy: -52.239 bonds (distance) P-C4' energy: -52.112 flat angles C4'-P-C4' energy: -59.819 flat angles P-C4'-P energy: -45.611 tors. eta vs tors. theta energy: -52.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -480.088295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.088295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.088295 (E_RNA) where: Base-Base interactions energy: -271.040 where: short stacking energy: -134.920 Base-Backbone interact. energy: 0.956 local terms energy: -210.004830 where: bonds (distance) C4'-P energy: -57.118 bonds (distance) P-C4' energy: -48.334 flat angles C4'-P-C4' energy: -52.954 flat angles P-C4'-P energy: -34.087 tors. eta vs tors. theta energy: -17.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -447.524670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.524670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.524670 (E_RNA) where: Base-Base interactions energy: -239.193 where: short stacking energy: -132.674 Base-Backbone interact. energy: 1.273 local terms energy: -209.604785 where: bonds (distance) C4'-P energy: -51.583 bonds (distance) P-C4' energy: -47.675 flat angles C4'-P-C4' energy: -55.256 flat angles P-C4'-P energy: -39.339 tors. eta vs tors. theta energy: -15.752 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: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -270.964541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.964541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.964541 (E_RNA) where: Base-Base interactions energy: -91.234 where: short stacking energy: -68.519 Base-Backbone interact. energy: 0.643 local terms energy: -180.372824 where: bonds (distance) C4'-P energy: -48.368 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -46.053 flat angles P-C4'-P energy: -34.365 tors. eta vs tors. theta energy: 7.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1091.757975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.757975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.757975 (E_RNA) where: Base-Base interactions energy: -752.231 where: short stacking energy: -314.561 Base-Backbone interact. energy: -1.023 local terms energy: -338.504062 where: bonds (distance) C4'-P energy: -63.805 bonds (distance) P-C4' energy: -62.383 flat angles C4'-P-C4' energy: -76.162 flat angles P-C4'-P energy: -43.837 tors. eta vs tors. theta energy: -92.316 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: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1069.449549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.449549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.449549 (E_RNA) where: Base-Base interactions energy: -729.909 where: short stacking energy: -321.225 Base-Backbone interact. energy: -0.592 local terms energy: -338.948698 where: bonds (distance) C4'-P energy: -62.918 bonds (distance) P-C4' energy: -58.380 flat angles C4'-P-C4' energy: -71.491 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -98.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -985.672698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.672698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.672698 (E_RNA) where: Base-Base interactions energy: -657.570 where: short stacking energy: -296.613 Base-Backbone interact. energy: -3.053 local terms energy: -325.049876 where: bonds (distance) C4'-P energy: -59.565 bonds (distance) P-C4' energy: -63.122 flat angles C4'-P-C4' energy: -65.129 flat angles P-C4'-P energy: -46.190 tors. eta vs tors. theta energy: -91.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -967.671903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.671903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.671903 (E_RNA) where: Base-Base interactions energy: -654.305 where: short stacking energy: -279.004 Base-Backbone interact. energy: -0.474 local terms energy: -312.892281 where: bonds (distance) C4'-P energy: -57.076 bonds (distance) P-C4' energy: -52.412 flat angles C4'-P-C4' energy: -65.662 flat angles P-C4'-P energy: -48.294 tors. eta vs tors. theta energy: -89.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -923.543178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.543178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.543178 (E_RNA) where: Base-Base interactions energy: -643.298 where: short stacking energy: -254.636 Base-Backbone interact. energy: -0.744 local terms energy: -279.501495 where: bonds (distance) C4'-P energy: -53.856 bonds (distance) P-C4' energy: -48.799 flat angles C4'-P-C4' energy: -63.567 flat angles P-C4'-P energy: -40.040 tors. eta vs tors. theta energy: -73.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -767.398296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.398296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.398296 (E_RNA) where: Base-Base interactions energy: -474.310 where: short stacking energy: -230.636 Base-Backbone interact. energy: -1.793 local terms energy: -291.294976 where: bonds (distance) C4'-P energy: -58.455 bonds (distance) P-C4' energy: -60.476 flat angles C4'-P-C4' energy: -62.688 flat angles P-C4'-P energy: -38.605 tors. eta vs tors. theta energy: -71.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -733.804043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.804043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.804043 (E_RNA) where: Base-Base interactions energy: -469.344 where: short stacking energy: -205.757 Base-Backbone interact. energy: -2.414 local terms energy: -262.046538 where: bonds (distance) C4'-P energy: -56.084 bonds (distance) P-C4' energy: -64.741 flat angles C4'-P-C4' energy: -50.652 flat angles P-C4'-P energy: -34.918 tors. eta vs tors. theta energy: -55.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -459.001087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.001087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.001087 (E_RNA) where: Base-Base interactions energy: -241.976 where: short stacking energy: -140.356 Base-Backbone interact. energy: 1.539 local terms energy: -218.564413 where: bonds (distance) C4'-P energy: -53.885 bonds (distance) P-C4' energy: -61.834 flat angles C4'-P-C4' energy: -54.256 flat angles P-C4'-P energy: -24.876 tors. eta vs tors. theta energy: -23.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -440.806716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.806716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.806716 (E_RNA) where: Base-Base interactions energy: -251.577 where: short stacking energy: -124.839 Base-Backbone interact. energy: 0.230 local terms energy: -189.459502 where: bonds (distance) C4'-P energy: -47.545 bonds (distance) P-C4' energy: -47.748 flat angles C4'-P-C4' energy: -60.079 flat angles P-C4'-P energy: -28.820 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -249.939534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.939534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.939534 (E_RNA) where: Base-Base interactions energy: -79.415 where: short stacking energy: -72.750 Base-Backbone interact. energy: 0.846 local terms energy: -171.370931 where: bonds (distance) C4'-P energy: -51.704 bonds (distance) P-C4' energy: -59.486 flat angles C4'-P-C4' energy: -40.550 flat angles P-C4'-P energy: -23.774 tors. eta vs tors. theta energy: 4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1085.081963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.081963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.081963 (E_RNA) where: Base-Base interactions energy: -730.648 where: short stacking energy: -323.747 Base-Backbone interact. energy: -1.424 local terms energy: -353.009990 where: bonds (distance) C4'-P energy: -56.090 bonds (distance) P-C4' energy: -65.138 flat angles C4'-P-C4' energy: -75.518 flat angles P-C4'-P energy: -51.187 tors. eta vs tors. theta energy: -105.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1078.459188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.459188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.459188 (E_RNA) where: Base-Base interactions energy: -740.491 where: short stacking energy: -317.071 Base-Backbone interact. energy: -0.909 local terms energy: -337.059002 where: bonds (distance) C4'-P energy: -60.608 bonds (distance) P-C4' energy: -56.345 flat angles C4'-P-C4' energy: -74.258 flat angles P-C4'-P energy: -41.990 tors. eta vs tors. theta energy: -103.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -986.659300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.659300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.659300 (E_RNA) where: Base-Base interactions energy: -670.607 where: short stacking energy: -269.981 Base-Backbone interact. energy: -1.793 local terms energy: -314.258587 where: bonds (distance) C4'-P energy: -51.518 bonds (distance) P-C4' energy: -66.298 flat angles C4'-P-C4' energy: -69.335 flat angles P-C4'-P energy: -46.169 tors. eta vs tors. theta energy: -80.939 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: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -985.066876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.066876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.066876 (E_RNA) where: Base-Base interactions energy: -668.099 where: short stacking energy: -290.657 Base-Backbone interact. energy: -2.256 local terms energy: -314.711324 where: bonds (distance) C4'-P energy: -56.613 bonds (distance) P-C4' energy: -60.972 flat angles C4'-P-C4' energy: -69.915 flat angles P-C4'-P energy: -46.949 tors. eta vs tors. theta energy: -80.263 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: 8 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -950.887239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.887239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.887239 (E_RNA) where: Base-Base interactions energy: -646.940 where: short stacking energy: -262.981 Base-Backbone interact. energy: -0.788 local terms energy: -303.158355 where: bonds (distance) C4'-P energy: -52.785 bonds (distance) P-C4' energy: -60.743 flat angles C4'-P-C4' energy: -65.072 flat angles P-C4'-P energy: -44.866 tors. eta vs tors. theta energy: -79.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -790.858841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.858841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.858841 (E_RNA) where: Base-Base interactions energy: -499.782 where: short stacking energy: -233.266 Base-Backbone interact. energy: -0.017 local terms energy: -291.059935 where: bonds (distance) C4'-P energy: -64.441 bonds (distance) P-C4' energy: -60.750 flat angles C4'-P-C4' energy: -61.853 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: -58.273 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: 10 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -710.154118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.154118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.154118 (E_RNA) where: Base-Base interactions energy: -445.444 where: short stacking energy: -186.565 Base-Backbone interact. energy: -1.178 local terms energy: -263.533004 where: bonds (distance) C4'-P energy: -42.418 bonds (distance) P-C4' energy: -62.465 flat angles C4'-P-C4' energy: -65.424 flat angles P-C4'-P energy: -39.859 tors. eta vs tors. theta energy: -53.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -460.832851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.832851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.832851 (E_RNA) where: Base-Base interactions energy: -245.585 where: short stacking energy: -141.807 Base-Backbone interact. energy: -0.137 local terms energy: -215.111383 where: bonds (distance) C4'-P energy: -46.843 bonds (distance) P-C4' energy: -56.628 flat angles C4'-P-C4' energy: -59.396 flat angles P-C4'-P energy: -34.289 tors. eta vs tors. theta energy: -17.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -473.276225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.276225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.276225 (E_RNA) where: Base-Base interactions energy: -261.934 where: short stacking energy: -137.400 Base-Backbone interact. energy: -1.793 local terms energy: -209.548467 where: bonds (distance) C4'-P energy: -53.661 bonds (distance) P-C4' energy: -52.586 flat angles C4'-P-C4' energy: -44.979 flat angles P-C4'-P energy: -37.473 tors. eta vs tors. theta energy: -20.848 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: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -267.291250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.291250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.291250 (E_RNA) where: Base-Base interactions energy: -89.614 where: short stacking energy: -89.052 Base-Backbone interact. energy: 1.120 local terms energy: -178.796833 where: bonds (distance) C4'-P energy: -40.169 bonds (distance) P-C4' energy: -51.950 flat angles C4'-P-C4' energy: -58.198 flat angles P-C4'-P energy: -25.002 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: 7 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1078.485405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.485405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.485405 (E_RNA) where: Base-Base interactions energy: -726.770 where: short stacking energy: -313.791 Base-Backbone interact. energy: 0.019 local terms energy: -351.734732 where: bonds (distance) C4'-P energy: -59.317 bonds (distance) P-C4' energy: -72.467 flat angles C4'-P-C4' energy: -67.423 flat angles P-C4'-P energy: -51.302 tors. eta vs tors. theta energy: -101.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1096.679876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.679876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.679876 (E_RNA) where: Base-Base interactions energy: -743.276 where: short stacking energy: -324.457 Base-Backbone interact. energy: -0.077 local terms energy: -353.326306 where: bonds (distance) C4'-P energy: -55.565 bonds (distance) P-C4' energy: -67.222 flat angles C4'-P-C4' energy: -76.200 flat angles P-C4'-P energy: -51.667 tors. eta vs tors. theta energy: -102.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -996.670609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.670609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.670609 (E_RNA) where: Base-Base interactions energy: -656.653 where: short stacking energy: -283.111 Base-Backbone interact. energy: 3.192 local terms energy: -343.209633 where: bonds (distance) C4'-P energy: -62.880 bonds (distance) P-C4' energy: -67.849 flat angles C4'-P-C4' energy: -69.856 flat angles P-C4'-P energy: -54.066 tors. eta vs tors. theta energy: -88.560 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: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -992.987481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.987481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.987481 (E_RNA) where: Base-Base interactions energy: -659.944 where: short stacking energy: -292.960 Base-Backbone interact. energy: -2.914 local terms energy: -330.129300 where: bonds (distance) C4'-P energy: -64.933 bonds (distance) P-C4' energy: -55.262 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -51.208 tors. eta vs tors. theta energy: -91.258 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: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -898.985178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.985178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.985178 (E_RNA) where: Base-Base interactions energy: -590.459 where: short stacking energy: -243.665 Base-Backbone interact. energy: -0.370 local terms energy: -308.156153 where: bonds (distance) C4'-P energy: -62.383 bonds (distance) P-C4' energy: -52.362 flat angles C4'-P-C4' energy: -69.048 flat angles P-C4'-P energy: -45.206 tors. eta vs tors. theta energy: -79.157 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: 495 Temperature: 1.150000 Total energy: -761.656370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.656370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.656370 (E_RNA) where: Base-Base interactions energy: -489.355 where: short stacking energy: -211.496 Base-Backbone interact. energy: -0.710 local terms energy: -271.591009 where: bonds (distance) C4'-P energy: -51.933 bonds (distance) P-C4' energy: -51.110 flat angles C4'-P-C4' energy: -64.913 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -62.216 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: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -677.427381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.427381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.427381 (E_RNA) where: Base-Base interactions energy: -437.703 where: short stacking energy: -193.333 Base-Backbone interact. energy: 0.030 local terms energy: -239.754086 where: bonds (distance) C4'-P energy: -50.739 bonds (distance) P-C4' energy: -52.443 flat angles C4'-P-C4' energy: -55.855 flat angles P-C4'-P energy: -33.173 tors. eta vs tors. theta energy: -47.543 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: 4 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -481.200994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.200994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.200994 (E_RNA) where: Base-Base interactions energy: -266.853 where: short stacking energy: -154.200 Base-Backbone interact. energy: 0.966 local terms energy: -215.314381 where: bonds (distance) C4'-P energy: -47.890 bonds (distance) P-C4' energy: -59.389 flat angles C4'-P-C4' energy: -59.779 flat angles P-C4'-P energy: -19.734 tors. eta vs tors. theta energy: -28.523 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: 9, replica: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -424.412898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.412898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.412898 (E_RNA) where: Base-Base interactions energy: -218.312 where: short stacking energy: -122.530 Base-Backbone interact. energy: 0.632 local terms energy: -206.733525 where: bonds (distance) C4'-P energy: -54.404 bonds (distance) P-C4' energy: -60.625 flat angles C4'-P-C4' energy: -49.589 flat angles P-C4'-P energy: -30.927 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: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -286.667763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.667763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.667763 (E_RNA) where: Base-Base interactions energy: -118.536 where: short stacking energy: -79.281 Base-Backbone interact. energy: -0.098 local terms energy: -168.034311 where: bonds (distance) C4'-P energy: -51.846 bonds (distance) P-C4' energy: -52.772 flat angles C4'-P-C4' energy: -35.726 flat angles P-C4'-P energy: -28.582 tors. eta vs tors. theta energy: 0.892 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: 2 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1096.305386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.305386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.305386 (E_RNA) where: Base-Base interactions energy: -756.052 where: short stacking energy: -331.446 Base-Backbone interact. energy: -0.448 local terms energy: -339.805578 where: bonds (distance) C4'-P energy: -64.512 bonds (distance) P-C4' energy: -67.130 flat angles C4'-P-C4' energy: -70.264 flat angles P-C4'-P energy: -37.773 tors. eta vs tors. theta energy: -100.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1049.333208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.333208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.333208 (E_RNA) where: Base-Base interactions energy: -709.570 where: short stacking energy: -324.490 Base-Backbone interact. energy: 0.447 local terms energy: -340.210641 where: bonds (distance) C4'-P energy: -54.717 bonds (distance) P-C4' energy: -63.416 flat angles C4'-P-C4' energy: -71.618 flat angles P-C4'-P energy: -48.316 tors. eta vs tors. theta energy: -102.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1003.743094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.743094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.743094 (E_RNA) where: Base-Base interactions energy: -672.085 where: short stacking energy: -297.135 Base-Backbone interact. energy: -0.482 local terms energy: -331.176444 where: bonds (distance) C4'-P energy: -59.581 bonds (distance) P-C4' energy: -62.154 flat angles C4'-P-C4' energy: -64.982 flat angles P-C4'-P energy: -55.409 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: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -981.064608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.064608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.064608 (E_RNA) where: Base-Base interactions energy: -664.698 where: short stacking energy: -276.711 Base-Backbone interact. energy: -1.287 local terms energy: -315.080110 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -66.651 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: -87.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -934.296877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.296877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.296877 (E_RNA) where: Base-Base interactions energy: -624.431 where: short stacking energy: -264.589 Base-Backbone interact. energy: -1.170 local terms energy: -308.695438 where: bonds (distance) C4'-P energy: -56.561 bonds (distance) P-C4' energy: -64.321 flat angles C4'-P-C4' energy: -61.259 flat angles P-C4'-P energy: -42.646 tors. eta vs tors. theta energy: -83.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -729.658615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.658615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.658615 (E_RNA) where: Base-Base interactions energy: -471.942 where: short stacking energy: -194.023 Base-Backbone interact. energy: -2.196 local terms energy: -255.521053 where: bonds (distance) C4'-P energy: -46.785 bonds (distance) P-C4' energy: -57.526 flat angles C4'-P-C4' energy: -66.120 flat angles P-C4'-P energy: -37.970 tors. eta vs tors. theta energy: -47.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -708.090334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.090334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.090334 (E_RNA) where: Base-Base interactions energy: -452.829 where: short stacking energy: -210.676 Base-Backbone interact. energy: -1.343 local terms energy: -253.918203 where: bonds (distance) C4'-P energy: -49.251 bonds (distance) P-C4' energy: -51.989 flat angles C4'-P-C4' energy: -56.100 flat angles P-C4'-P energy: -36.592 tors. eta vs tors. theta energy: -59.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -501.861452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.861452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.861452 (E_RNA) where: Base-Base interactions energy: -282.908 where: short stacking energy: -131.785 Base-Backbone interact. energy: 0.221 local terms energy: -219.174122 where: bonds (distance) C4'-P energy: -60.117 bonds (distance) P-C4' energy: -60.578 flat angles C4'-P-C4' energy: -45.307 flat angles P-C4'-P energy: -33.921 tors. eta vs tors. theta energy: -19.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -446.843209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.843209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.843209 (E_RNA) where: Base-Base interactions energy: -257.186 where: short stacking energy: -148.613 Base-Backbone interact. energy: -2.356 local terms energy: -187.300686 where: bonds (distance) C4'-P energy: -50.023 bonds (distance) P-C4' energy: -48.232 flat angles C4'-P-C4' energy: -44.269 flat angles P-C4'-P energy: -29.580 tors. eta vs tors. theta energy: -15.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -261.548410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.548410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.548410 (E_RNA) where: Base-Base interactions energy: -101.343 where: short stacking energy: -81.302 Base-Backbone interact. energy: -1.750 local terms energy: -158.455014 where: bonds (distance) C4'-P energy: -56.441 bonds (distance) P-C4' energy: -55.376 flat angles C4'-P-C4' energy: -40.756 flat angles P-C4'-P energy: -20.516 tors. eta vs tors. theta energy: 14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1092.775239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.775239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.775239 (E_RNA) where: Base-Base interactions energy: -749.186 where: short stacking energy: -321.887 Base-Backbone interact. energy: -0.557 local terms energy: -343.031733 where: bonds (distance) C4'-P energy: -62.985 bonds (distance) P-C4' energy: -61.423 flat angles C4'-P-C4' energy: -69.603 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: -103.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1044.662414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.662414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.662414 (E_RNA) where: Base-Base interactions energy: -712.334 where: short stacking energy: -311.653 Base-Backbone interact. energy: -0.724 local terms energy: -331.605159 where: bonds (distance) C4'-P energy: -55.842 bonds (distance) P-C4' energy: -63.734 flat angles C4'-P-C4' energy: -72.188 flat angles P-C4'-P energy: -43.838 tors. eta vs tors. theta energy: -96.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1008.139361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.139361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.139361 (E_RNA) where: Base-Base interactions energy: -679.953 where: short stacking energy: -304.197 Base-Backbone interact. energy: -1.572 local terms energy: -326.613928 where: bonds (distance) C4'-P energy: -59.920 bonds (distance) P-C4' energy: -62.167 flat angles C4'-P-C4' energy: -66.335 flat angles P-C4'-P energy: -43.673 tors. eta vs tors. theta energy: -94.519 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: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1004.230574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.230574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.230574 (E_RNA) where: Base-Base interactions energy: -700.000 where: short stacking energy: -301.826 Base-Backbone interact. energy: -0.639 local terms energy: -303.590939 where: bonds (distance) C4'-P energy: -46.464 bonds (distance) P-C4' energy: -60.368 flat angles C4'-P-C4' energy: -65.562 flat angles P-C4'-P energy: -39.637 tors. eta vs tors. theta energy: -91.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -926.198797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.198797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.198797 (E_RNA) where: Base-Base interactions energy: -622.164 where: short stacking energy: -255.326 Base-Backbone interact. energy: -0.174 local terms energy: -303.860235 where: bonds (distance) C4'-P energy: -59.767 bonds (distance) P-C4' energy: -46.541 flat angles C4'-P-C4' energy: -67.928 flat angles P-C4'-P energy: -42.144 tors. eta vs tors. theta energy: -87.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -774.106854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.106854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.106854 (E_RNA) where: Base-Base interactions energy: -497.860 where: short stacking energy: -234.234 Base-Backbone interact. energy: -1.402 local terms energy: -274.844402 where: bonds (distance) C4'-P energy: -47.447 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -72.323 flat angles P-C4'-P energy: -31.135 tors. eta vs tors. theta energy: -61.090 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: 7, replica: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -687.883534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.883534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.883534 (E_RNA) where: Base-Base interactions energy: -419.764 where: short stacking energy: -192.828 Base-Backbone interact. energy: -1.641 local terms energy: -266.479284 where: bonds (distance) C4'-P energy: -53.055 bonds (distance) P-C4' energy: -64.426 flat angles C4'-P-C4' energy: -52.411 flat angles P-C4'-P energy: -50.039 tors. eta vs tors. theta energy: -46.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -473.711069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.711069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.711069 (E_RNA) where: Base-Base interactions energy: -252.570 where: short stacking energy: -126.581 Base-Backbone interact. energy: 1.320 local terms energy: -222.461017 where: bonds (distance) C4'-P energy: -65.067 bonds (distance) P-C4' energy: -59.199 flat angles C4'-P-C4' energy: -56.098 flat angles P-C4'-P energy: -29.299 tors. eta vs tors. theta energy: -12.797 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: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -427.180550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.180550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.180550 (E_RNA) where: Base-Base interactions energy: -232.241 where: short stacking energy: -110.309 Base-Backbone interact. energy: 1.351 local terms energy: -196.290163 where: bonds (distance) C4'-P energy: -49.941 bonds (distance) P-C4' energy: -63.726 flat angles C4'-P-C4' energy: -52.762 flat angles P-C4'-P energy: -21.872 tors. eta vs tors. theta energy: -7.989 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: 10, replica: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -250.237892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.237892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.237892 (E_RNA) where: Base-Base interactions energy: -92.920 where: short stacking energy: -70.118 Base-Backbone interact. energy: 1.591 local terms energy: -158.909463 where: bonds (distance) C4'-P energy: -46.146 bonds (distance) P-C4' energy: -55.962 flat angles C4'-P-C4' energy: -47.889 flat angles P-C4'-P energy: -24.747 tors. eta vs tors. theta energy: 15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1101.815002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.815002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.815002 (E_RNA) where: Base-Base interactions energy: -746.662 where: short stacking energy: -326.560 Base-Backbone interact. energy: -1.612 local terms energy: -353.541085 where: bonds (distance) C4'-P energy: -63.231 bonds (distance) P-C4' energy: -62.011 flat angles C4'-P-C4' energy: -71.073 flat angles P-C4'-P energy: -53.186 tors. eta vs tors. theta energy: -104.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1052.232835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.232835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.232835 (E_RNA) where: Base-Base interactions energy: -712.028 where: short stacking energy: -317.850 Base-Backbone interact. energy: -1.764 local terms energy: -338.440391 where: bonds (distance) C4'-P energy: -60.873 bonds (distance) P-C4' energy: -61.199 flat angles C4'-P-C4' energy: -72.360 flat angles P-C4'-P energy: -43.901 tors. eta vs tors. theta energy: -100.108 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: 3, replica: 1 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1021.049939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.049939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.049939 (E_RNA) where: Base-Base interactions energy: -681.664 where: short stacking energy: -291.017 Base-Backbone interact. energy: -1.466 local terms energy: -337.920348 where: bonds (distance) C4'-P energy: -57.431 bonds (distance) P-C4' energy: -64.895 flat angles C4'-P-C4' energy: -75.718 flat angles P-C4'-P energy: -44.083 tors. eta vs tors. theta energy: -95.793 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: 8 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -995.588120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.588120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.588120 (E_RNA) where: Base-Base interactions energy: -660.484 where: short stacking energy: -285.478 Base-Backbone interact. energy: -1.745 local terms energy: -333.359677 where: bonds (distance) C4'-P energy: -59.138 bonds (distance) P-C4' energy: -67.819 flat angles C4'-P-C4' energy: -69.034 flat angles P-C4'-P energy: -45.826 tors. eta vs tors. theta energy: -91.542 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: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -893.285295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.285295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.285295 (E_RNA) where: Base-Base interactions energy: -611.107 where: short stacking energy: -272.924 Base-Backbone interact. energy: -0.460 local terms energy: -281.717651 where: bonds (distance) C4'-P energy: -45.101 bonds (distance) P-C4' energy: -54.287 flat angles C4'-P-C4' energy: -67.467 flat angles P-C4'-P energy: -32.605 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: 6, replica: 6 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -825.178636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.178636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.178636 (E_RNA) where: Base-Base interactions energy: -560.725 where: short stacking energy: -257.344 Base-Backbone interact. energy: -1.144 local terms energy: -263.310576 where: bonds (distance) C4'-P energy: -55.270 bonds (distance) P-C4' energy: -53.042 flat angles C4'-P-C4' energy: -59.146 flat angles P-C4'-P energy: -27.423 tors. eta vs tors. theta energy: -68.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -727.507106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.507106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.507106 (E_RNA) where: Base-Base interactions energy: -467.563 where: short stacking energy: -192.706 Base-Backbone interact. energy: -1.148 local terms energy: -258.796666 where: bonds (distance) C4'-P energy: -51.619 bonds (distance) P-C4' energy: -57.233 flat angles C4'-P-C4' energy: -60.337 flat angles P-C4'-P energy: -37.370 tors. eta vs tors. theta energy: -52.237 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: 4 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -444.837078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.837078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.837078 (E_RNA) where: Base-Base interactions energy: -233.635 where: short stacking energy: -119.391 Base-Backbone interact. energy: -0.988 local terms energy: -210.213894 where: bonds (distance) C4'-P energy: -55.275 bonds (distance) P-C4' energy: -59.733 flat angles C4'-P-C4' energy: -53.281 flat angles P-C4'-P energy: -30.293 tors. eta vs tors. theta energy: -11.631 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: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -453.587877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.587877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.587877 (E_RNA) where: Base-Base interactions energy: -236.788 where: short stacking energy: -123.194 Base-Backbone interact. energy: 2.503 local terms energy: -219.303007 where: bonds (distance) C4'-P energy: -54.454 bonds (distance) P-C4' energy: -48.998 flat angles C4'-P-C4' energy: -51.200 flat angles P-C4'-P energy: -36.801 tors. eta vs tors. theta energy: -27.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -290.016651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.016651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.016651 (E_RNA) where: Base-Base interactions energy: -113.647 where: short stacking energy: -76.569 Base-Backbone interact. energy: 0.713 local terms energy: -177.082414 where: bonds (distance) C4'-P energy: -54.681 bonds (distance) P-C4' energy: -53.041 flat angles C4'-P-C4' energy: -35.437 flat angles P-C4'-P energy: -29.073 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1083.051738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.051738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.051738 (E_RNA) where: Base-Base interactions energy: -722.235 where: short stacking energy: -305.873 Base-Backbone interact. energy: -1.212 local terms energy: -359.605234 where: bonds (distance) C4'-P energy: -65.249 bonds (distance) P-C4' energy: -66.989 flat angles C4'-P-C4' energy: -76.163 flat angles P-C4'-P energy: -51.837 tors. eta vs tors. theta energy: -99.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1073.603841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.603841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.603841 (E_RNA) where: Base-Base interactions energy: -716.153 where: short stacking energy: -334.649 Base-Backbone interact. energy: -0.828 local terms energy: -356.622900 where: bonds (distance) C4'-P energy: -60.442 bonds (distance) P-C4' energy: -62.346 flat angles C4'-P-C4' energy: -78.124 flat angles P-C4'-P energy: -50.071 tors. eta vs tors. theta energy: -105.641 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: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1017.637449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.637449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.637449 (E_RNA) where: Base-Base interactions energy: -705.364 where: short stacking energy: -302.511 Base-Backbone interact. energy: -2.488 local terms energy: -309.785169 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -55.243 flat angles C4'-P-C4' energy: -59.581 flat angles P-C4'-P energy: -51.593 tors. eta vs tors. theta energy: -85.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1015.209082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.209082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.209082 (E_RNA) where: Base-Base interactions energy: -686.546 where: short stacking energy: -304.067 Base-Backbone interact. energy: -0.965 local terms energy: -327.697942 where: bonds (distance) C4'-P energy: -56.054 bonds (distance) P-C4' energy: -58.374 flat angles C4'-P-C4' energy: -68.925 flat angles P-C4'-P energy: -45.945 tors. eta vs tors. theta energy: -98.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -922.804253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.804253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.804253 (E_RNA) where: Base-Base interactions energy: -632.494 where: short stacking energy: -271.483 Base-Backbone interact. energy: -0.815 local terms energy: -289.494859 where: bonds (distance) C4'-P energy: -44.518 bonds (distance) P-C4' energy: -53.087 flat angles C4'-P-C4' energy: -70.418 flat angles P-C4'-P energy: -39.793 tors. eta vs tors. theta energy: -81.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -785.154842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.154842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.154842 (E_RNA) where: Base-Base interactions energy: -516.791 where: short stacking energy: -222.479 Base-Backbone interact. energy: -0.362 local terms energy: -268.002449 where: bonds (distance) C4'-P energy: -49.497 bonds (distance) P-C4' energy: -63.281 flat angles C4'-P-C4' energy: -58.709 flat angles P-C4'-P energy: -36.680 tors. eta vs tors. theta energy: -59.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -709.801501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.801501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.801501 (E_RNA) where: Base-Base interactions energy: -459.294 where: short stacking energy: -204.896 Base-Backbone interact. energy: 2.116 local terms energy: -252.624365 where: bonds (distance) C4'-P energy: -50.326 bonds (distance) P-C4' energy: -60.848 flat angles C4'-P-C4' energy: -49.584 flat angles P-C4'-P energy: -31.930 tors. eta vs tors. theta energy: -59.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -482.094184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.094184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.094184 (E_RNA) where: Base-Base interactions energy: -269.002 where: short stacking energy: -134.851 Base-Backbone interact. energy: 3.663 local terms energy: -216.755316 where: bonds (distance) C4'-P energy: -48.375 bonds (distance) P-C4' energy: -58.974 flat angles C4'-P-C4' energy: -57.218 flat angles P-C4'-P energy: -27.850 tors. eta vs tors. theta energy: -24.339 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: 499 Temperature: 1.300000 Total energy: -450.182647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.182647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.182647 (E_RNA) where: Base-Base interactions energy: -245.821 where: short stacking energy: -114.074 Base-Backbone interact. energy: -1.085 local terms energy: -203.276283 where: bonds (distance) C4'-P energy: -47.519 bonds (distance) P-C4' energy: -58.650 flat angles C4'-P-C4' energy: -41.993 flat angles P-C4'-P energy: -38.240 tors. eta vs tors. theta energy: -16.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -263.002266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.002266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.002266 (E_RNA) where: Base-Base interactions energy: -82.295 where: short stacking energy: -75.613 Base-Backbone interact. energy: 2.464 local terms energy: -183.171234 where: bonds (distance) C4'-P energy: -56.596 bonds (distance) P-C4' energy: -58.238 flat angles C4'-P-C4' energy: -41.586 flat angles P-C4'-P energy: -25.096 tors. eta vs tors. theta energy: -1.655 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: 7 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1074.939424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.939424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.939424 (E_RNA) where: Base-Base interactions energy: -728.162 where: short stacking energy: -326.880 Base-Backbone interact. energy: -1.877 local terms energy: -344.900634 where: bonds (distance) C4'-P energy: -53.557 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -69.954 flat angles P-C4'-P energy: -60.848 tors. eta vs tors. theta energy: -99.987 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: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1074.796855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.796855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.796855 (E_RNA) where: Base-Base interactions energy: -728.001 where: short stacking energy: -311.218 Base-Backbone interact. energy: -1.662 local terms energy: -345.133590 where: bonds (distance) C4'-P energy: -69.378 bonds (distance) P-C4' energy: -63.219 flat angles C4'-P-C4' energy: -71.423 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: -95.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1000.003574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.003574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.003574 (E_RNA) where: Base-Base interactions energy: -695.145 where: short stacking energy: -309.118 Base-Backbone interact. energy: -2.458 local terms energy: -302.400981 where: bonds (distance) C4'-P energy: -46.202 bonds (distance) P-C4' energy: -48.934 flat angles C4'-P-C4' energy: -66.478 flat angles P-C4'-P energy: -42.456 tors. eta vs tors. theta energy: -98.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -998.744412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.744412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.744412 (E_RNA) where: Base-Base interactions energy: -685.289 where: short stacking energy: -266.876 Base-Backbone interact. energy: -2.078 local terms energy: -311.377021 where: bonds (distance) C4'-P energy: -62.809 bonds (distance) P-C4' energy: -64.309 flat angles C4'-P-C4' energy: -65.826 flat angles P-C4'-P energy: -43.032 tors. eta vs tors. theta energy: -75.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -896.093648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.093648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.093648 (E_RNA) where: Base-Base interactions energy: -617.054 where: short stacking energy: -251.249 Base-Backbone interact. energy: -0.432 local terms energy: -278.607165 where: bonds (distance) C4'-P energy: -49.428 bonds (distance) P-C4' energy: -56.936 flat angles C4'-P-C4' energy: -67.214 flat angles P-C4'-P energy: -29.507 tors. eta vs tors. theta energy: -75.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -804.700503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.700503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.700503 (E_RNA) where: Base-Base interactions energy: -531.371 where: short stacking energy: -233.873 Base-Backbone interact. energy: -1.196 local terms energy: -272.132827 where: bonds (distance) C4'-P energy: -42.090 bonds (distance) P-C4' energy: -61.706 flat angles C4'-P-C4' energy: -58.371 flat angles P-C4'-P energy: -32.837 tors. eta vs tors. theta energy: -77.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -695.173027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.173027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.173027 (E_RNA) where: Base-Base interactions energy: -439.736 where: short stacking energy: -215.765 Base-Backbone interact. energy: -1.354 local terms energy: -254.082716 where: bonds (distance) C4'-P energy: -52.843 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -58.292 flat angles P-C4'-P energy: -20.627 tors. eta vs tors. theta energy: -67.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -443.141139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.141139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.141139 (E_RNA) where: Base-Base interactions energy: -242.364 where: short stacking energy: -127.539 Base-Backbone interact. energy: 0.050 local terms energy: -200.827309 where: bonds (distance) C4'-P energy: -47.392 bonds (distance) P-C4' energy: -55.921 flat angles C4'-P-C4' energy: -50.460 flat angles P-C4'-P energy: -25.447 tors. eta vs tors. theta energy: -21.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -465.835966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.835966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.835966 (E_RNA) where: Base-Base interactions energy: -263.215 where: short stacking energy: -127.346 Base-Backbone interact. energy: -2.488 local terms energy: -200.132613 where: bonds (distance) C4'-P energy: -55.731 bonds (distance) P-C4' energy: -60.470 flat angles C4'-P-C4' energy: -39.275 flat angles P-C4'-P energy: -34.966 tors. eta vs tors. theta energy: -9.691 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: 9 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -287.261047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.261047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.261047 (E_RNA) where: Base-Base interactions energy: -129.585 where: short stacking energy: -76.039 Base-Backbone interact. energy: -0.532 local terms energy: -157.144444 where: bonds (distance) C4'-P energy: -38.848 bonds (distance) P-C4' energy: -52.637 flat angles C4'-P-C4' energy: -46.071 flat angles P-C4'-P energy: -23.791 tors. eta vs tors. theta energy: 4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1091.126788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.126788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.126788 (E_RNA) where: Base-Base interactions energy: -726.964 where: short stacking energy: -324.909 Base-Backbone interact. energy: -0.894 local terms energy: -363.268861 where: bonds (distance) C4'-P energy: -65.040 bonds (distance) P-C4' energy: -63.902 flat angles C4'-P-C4' energy: -74.402 flat angles P-C4'-P energy: -53.988 tors. eta vs tors. theta energy: -105.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1059.349911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.349911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.349911 (E_RNA) where: Base-Base interactions energy: -706.960 where: short stacking energy: -301.992 Base-Backbone interact. energy: -2.564 local terms energy: -349.825662 where: bonds (distance) C4'-P energy: -62.174 bonds (distance) P-C4' energy: -62.618 flat angles C4'-P-C4' energy: -72.265 flat angles P-C4'-P energy: -56.339 tors. eta vs tors. theta energy: -96.430 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: 8 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1000.728632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.728632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.728632 (E_RNA) where: Base-Base interactions energy: -687.687 where: short stacking energy: -276.093 Base-Backbone interact. energy: 0.013 local terms energy: -313.054589 where: bonds (distance) C4'-P energy: -59.614 bonds (distance) P-C4' energy: -61.118 flat angles C4'-P-C4' energy: -64.829 flat angles P-C4'-P energy: -41.497 tors. eta vs tors. theta energy: -85.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -982.927546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.927546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.927546 (E_RNA) where: Base-Base interactions energy: -636.247 where: short stacking energy: -286.067 Base-Backbone interact. energy: -1.295 local terms energy: -345.386059 where: bonds (distance) C4'-P energy: -73.008 bonds (distance) P-C4' energy: -56.069 flat angles C4'-P-C4' energy: -70.347 flat angles P-C4'-P energy: -51.532 tors. eta vs tors. theta energy: -94.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -886.965792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.965792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.965792 (E_RNA) where: Base-Base interactions energy: -594.741 where: short stacking energy: -260.697 Base-Backbone interact. energy: -0.565 local terms energy: -291.659589 where: bonds (distance) C4'-P energy: -55.200 bonds (distance) P-C4' energy: -53.469 flat angles C4'-P-C4' energy: -59.802 flat angles P-C4'-P energy: -41.122 tors. eta vs tors. theta energy: -82.066 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: 6 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -782.546746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.546746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.546746 (E_RNA) where: Base-Base interactions energy: -511.477 where: short stacking energy: -207.599 Base-Backbone interact. energy: 3.638 local terms energy: -274.707917 where: bonds (distance) C4'-P energy: -53.195 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -63.825 flat angles P-C4'-P energy: -29.323 tors. eta vs tors. theta energy: -67.124 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: 7, replica: 10 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -677.428456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.428456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.428456 (E_RNA) where: Base-Base interactions energy: -433.765 where: short stacking energy: -189.270 Base-Backbone interact. energy: 2.556 local terms energy: -246.218857 where: bonds (distance) C4'-P energy: -48.032 bonds (distance) P-C4' energy: -55.180 flat angles C4'-P-C4' energy: -63.015 flat angles P-C4'-P energy: -40.056 tors. eta vs tors. theta energy: -39.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -455.181356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.181356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.181356 (E_RNA) where: Base-Base interactions energy: -228.311 where: short stacking energy: -111.022 Base-Backbone interact. energy: -0.836 local terms energy: -226.034406 where: bonds (distance) C4'-P energy: -59.083 bonds (distance) P-C4' energy: -62.330 flat angles C4'-P-C4' energy: -49.945 flat angles P-C4'-P energy: -44.648 tors. eta vs tors. theta energy: -10.028 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: 4 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -424.384921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.384921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.384921 (E_RNA) where: Base-Base interactions energy: -225.424 where: short stacking energy: -111.291 Base-Backbone interact. energy: -1.408 local terms energy: -197.552740 where: bonds (distance) C4'-P energy: -61.155 bonds (distance) P-C4' energy: -50.039 flat angles C4'-P-C4' energy: -47.879 flat angles P-C4'-P energy: -31.946 tors. eta vs tors. theta energy: -6.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -260.713277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.713277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.713277 (E_RNA) where: Base-Base interactions energy: -84.783 where: short stacking energy: -76.812 Base-Backbone interact. energy: 0.708 local terms energy: -176.638596 where: bonds (distance) C4'-P energy: -58.624 bonds (distance) P-C4' energy: -42.295 flat angles C4'-P-C4' energy: -49.165 flat angles P-C4'-P energy: -36.572 tors. eta vs tors. theta energy: 10.018 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) replica 7 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 61480873 moves confirmed later: 68939508 all moves confirmed: 130420381 percent of confirmed moves: 16.302548 current total energy: -1017.942808 recalc. total energy: -1017.942808 replica 2 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 60653096 moves confirmed later: 67772166 all moves confirmed: 128425262 percent of confirmed moves: 16.053158 current total energy: -987.277217 recalc. total energy: -987.277217 replica 8 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 56975322 moves confirmed later: 63410429 all moves confirmed: 120385751 percent of confirmed moves: 15.048219 current total energy: -920.321933 recalc. total energy: -920.321933 replica 1 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 59050777 moves confirmed later: 65940566 all moves confirmed: 124991343 percent of confirmed moves: 15.623918 current total energy: -855.020301 recalc. total energy: -855.020301 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 55528860 moves confirmed later: 61322648 all moves confirmed: 116851508 percent of confirmed moves: 14.606438 current total energy: -816.833922 recalc. total energy: -816.833922 replica 6 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 98557444 moves confirmed later: 117559864 all moves confirmed: 216117308 percent of confirmed moves: 27.014664 current total energy: -695.196733 recalc. total energy: -695.196733 replica 10 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 57583119 moves confirmed later: 64344452 all moves confirmed: 121927571 percent of confirmed moves: 15.240946 current total energy: -517.326461 recalc. total energy: -517.326461 replica 3 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 114144522 moves confirmed later: 137593878 all moves confirmed: 251738400 percent of confirmed moves: 31.467300 current total energy: -343.321234 recalc. total energy: -343.321234 replica 4 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 99558921 moves confirmed later: 118782878 all moves confirmed: 218341799 percent of confirmed moves: 27.292725 current total energy: -322.966747 recalc. total energy: -322.966747 replica 9 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 110790914 moves confirmed later: 133432354 all moves confirmed: 244223268 percent of confirmed moves: 30.527908 current total energy: -165.451362 recalc. total energy: -165.451362 out arg RESULTS//1/utr8-de9a9120_01 Time of doing 8000000 iterations: 26288.811 seconds